#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ibu s HIS 4 N 0.00 3.32 0.67 1.57 5.04 -1.26 -5.03 115.29 119.60 3ibu s HIS 4 Ca 0.00 1.49 -0.15 0.00 -1.54 0.00 0.00 55.06 54.86 3ibu s HIS 4 Cb 0.00 -2.86 0.01 0.00 0.04 0.00 0.00 32.58 29.77 3ibu s HIS 4 CO 0.00 -0.54 1.14 1.67 -2.34 0.00 0.00 174.74 174.67 3ibu s TRP 5 N -2.53 2.44 0.00 3.88 1.48 -1.26 -4.85 118.94 118.09 3ibu s TRP 5 Ca 0.61 1.57 0.00 0.00 -1.06 0.00 0.00 56.10 57.21 3ibu s TRP 5 Cb -0.12 -3.28 0.00 0.00 -1.16 0.00 0.00 33.47 28.91 3ibu s TRP 5 CO 0.31 -1.98 0.00 0.41 -4.06 0.00 0.00 176.95 171.63 3ibu n GLY 6 N -0.14 2.80 0.32 3.67 0.00 0.07 -5.02 105.19 106.89 3ibu n GLY 6 Ca 0.12 -0.39 0.07 0.00 0.00 0.00 0.00 46.02 45.81 3ibu n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ibu n TYR 7 N 0.00 0.00 -2.69 1.61 4.02 -1.26 -3.74 117.16 115.10 3ibu n TYR 7 Ca 0.00 -0.91 -0.23 0.00 -0.01 0.00 0.00 57.90 56.75 3ibu n TYR 7 Cb 0.00 -0.15 0.11 0.00 -0.02 0.00 0.00 39.34 39.28 3ibu n TYR 7 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3ibu s GLY 8 N -2.60 1.74 0.35 2.72 0.00 -1.26 -4.72 107.32 103.55 3ibu s GLY 8 Ca 0.28 -1.94 0.03 0.00 0.00 0.00 0.00 44.72 43.10 3ibu s GLY 8 CO -0.01 -1.33 1.95 1.70 0.00 0.00 0.00 173.10 175.42 3ibu h LYS 9 N -0.50 0.68 -0.02 2.90 3.64 -1.97 0.23 116.57 121.54 3ibu h LYS 9 Ca -0.33 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3ibu h LYS 9 Cb 1.26 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3ibu h LYS 9 CO 0.37 0.54 -0.31 0.72 -2.27 0.00 0.00 179.45 178.50 3ibu n HIS 10 N -4.38 0.00 -0.90 1.91 8.25 -1.26 -4.48 115.22 114.36 3ibu n HIS 10 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3ibu n HIS 10 Cb 0.13 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.24 3ibu n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3ibu n ASN 11 N 0.29 0.20 -2.59 0.41 6.94 -1.18 -4.96 115.26 114.36 3ibu n ASN 11 Ca 0.09 -1.10 -0.07 0.00 -0.02 0.00 0.00 54.58 53.48 3ibu n ASN 11 Cb 0.46 -0.00 0.05 0.00 -2.36 0.00 0.00 39.78 37.93 3ibu n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ibu n GLY 12 N -0.05 -1.79 0.35 4.83 0.00 0.81 -0.75 105.19 108.59 3ibu n GLY 12 Ca 0.00 -1.58 0.28 0.00 0.00 0.00 0.00 46.02 44.72 3ibu n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ibu h PRO 13 N 0.00 0.18 0.00 1.61 0.11 -1.84 0.84 132.00 132.91 3ibu h PRO 13 Ca -0.10 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.00 3ibu h PRO 13 Cb 0.29 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.36 3ibu h PRO 13 CO 0.07 0.12 0.00 0.39 -0.21 0.00 0.00 178.00 178.37 3ibu n GLU 14 N -5.07 0.41 -0.03 1.05 -0.58 -1.26 -3.12 120.64 112.03 3ibu n GLU 14 Ca 0.34 0.05 0.03 0.00 -0.42 0.00 0.00 57.16 57.17 3ibu n GLU 14 Cb 1.14 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 30.40 3ibu n GLU 14 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3ibu n HIS 15 N -1.24 0.00 -0.29 -0.32 8.25 0.28 -4.68 115.22 117.22 3ibu n HIS 15 Ca 0.12 0.00 0.23 0.00 -0.26 0.00 0.00 57.72 57.81 3ibu n HIS 15 Cb 0.17 -0.47 0.54 0.00 1.12 0.00 0.00 29.99 31.36 3ibu n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3ibu h TRP 16 N 0.00 0.54 -0.01 4.41 6.55 -1.46 -2.43 115.95 123.54 3ibu h TRP 16 Ca -0.12 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.74 3ibu h TRP 16 Cb 1.08 -0.16 -0.00 0.00 -0.86 0.00 0.00 29.16 29.22 3ibu h TRP 16 CO 0.00 0.08 0.02 1.12 -1.05 0.00 0.00 178.44 178.61 3ibu h HIS 17 N 0.35 0.00 -0.29 0.49 2.07 -1.80 0.49 115.15 116.46 3ibu h HIS 17 Ca 0.55 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 58.02 3ibu h HIS 17 Cb 1.48 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.45 3ibu h HIS 17 CO -0.00 0.00 0.01 0.87 -3.07 0.00 0.00 177.93 175.74 3ibu h LYS 18 N 0.00 0.51 0.00 5.12 1.57 -1.79 -2.20 116.57 119.77 3ibu h LYS 18 Ca 0.01 -0.16 -0.16 0.00 -1.87 0.00 0.00 60.65 58.47 3ibu h LYS 18 Cb 0.04 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 3ibu h LYS 18 CO -0.00 0.65 -1.32 -0.44 -0.57 0.00 0.00 179.45 177.77 3ibu h ASP 19 N 0.31 0.00 -2.82 0.86 3.32 -1.69 -3.41 116.42 112.99 3ibu h ASP 19 Ca 0.08 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.53 3ibu h ASP 19 Cb 0.41 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.56 3ibu h ASP 19 CO 0.01 0.56 -0.75 -0.36 -1.72 0.00 0.00 179.24 176.99 3ibu s PHE 20 N -2.93 2.45 0.58 4.55 0.08 0.14 -4.97 117.98 117.87 3ibu s PHE 20 Ca -0.02 -2.87 0.30 0.00 0.12 0.00 0.00 56.93 54.46 3ibu s PHE 20 Cb 0.09 -1.92 1.43 0.00 -0.57 0.00 0.00 43.02 42.05 3ibu s PHE 20 CO 0.80 -0.68 1.81 -1.35 -0.10 0.00 0.00 175.22 175.71 3ibu h PRO 21 N 5.57 0.00 0.00 0.24 0.11 -1.63 0.14 132.00 136.44 3ibu h PRO 21 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3ibu h PRO 21 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3ibu h PRO 21 CO 0.56 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.86 3ibu n ILE 22 N -3.81 1.42 0.18 4.15 3.06 -1.26 -2.14 119.36 120.96 3ibu n ILE 22 Ca 0.14 0.42 0.18 0.00 -2.50 0.00 0.00 62.75 60.99 3ibu n ILE 22 Cb 0.89 -1.33 0.81 0.00 0.54 0.00 0.00 39.64 40.55 3ibu n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3ibu h ALA 23 N 2.19 1.89 -0.57 1.51 0.00 -1.28 0.51 119.26 123.51 3ibu h ALA 23 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 3ibu h ALA 23 Cb 0.12 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 17.79 3ibu h ALA 23 CO 0.00 -0.37 0.18 1.63 0.00 0.00 0.00 179.25 180.68 3ibu n LYS 24 N -3.81 2.52 -0.73 0.00 5.02 -0.91 -4.95 118.16 115.31 3ibu n LYS 24 Ca 0.03 -3.07 -0.21 0.00 -2.02 0.00 0.00 58.31 53.04 3ibu n LYS 24 Cb 0.39 -1.99 0.18 0.00 -0.02 0.00 0.00 35.03 33.58 3ibu n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ibu n GLY 25 N -0.82 -2.69 0.07 0.72 0.00 0.18 -4.99 105.19 97.66 3ibu n GLY 25 Ca 0.39 -1.48 0.12 0.00 0.00 0.00 0.00 46.02 45.06 3ibu n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ibu n GLU 26 N -3.87 0.25 -3.09 1.61 -0.58 -1.26 -4.35 120.64 109.34 3ibu n GLU 26 Ca 0.11 0.12 -0.16 0.00 -0.42 0.00 0.00 57.16 56.81 3ibu n GLU 26 Cb 0.42 -1.71 -0.01 0.00 -0.57 0.00 0.00 31.44 29.57 3ibu n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 3ibu n ARG 27 N -2.09 1.00 -3.06 3.49 1.85 -1.26 -4.57 116.66 112.01 3ibu n ARG 27 Ca 0.04 -3.28 -0.31 0.00 -1.00 0.00 0.00 57.85 53.30 3ibu n ARG 27 Cb 0.42 -1.60 -0.05 0.00 -1.05 0.00 0.00 32.46 30.19 3ibu n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3ibu s GLN 28 N -2.36 3.89 0.19 2.89 -1.52 -1.26 -2.65 119.66 118.83 3ibu s GLN 28 Ca 0.37 0.54 0.09 0.00 -1.95 0.00 0.00 55.36 54.41 3ibu s GLN 28 Cb 0.36 -2.44 -0.04 0.00 -0.22 0.00 0.00 33.01 30.67 3ibu s GLN 28 CO -0.06 0.10 -0.17 -1.12 -0.25 0.00 0.00 175.29 173.79 3ibu s SER 29 N -2.64 2.74 1.00 5.90 0.01 -1.26 -4.66 113.70 114.78 3ibu s SER 29 Ca 0.52 -0.94 -0.14 0.00 1.31 0.00 0.00 55.95 56.70 3ibu s SER 29 Cb -0.10 -0.16 0.20 0.00 0.21 0.00 0.00 66.02 66.16 3ibu s SER 29 CO 0.23 -0.08 1.16 -0.81 0.41 0.00 0.00 173.24 174.16 3ibu n PRO 30 N -0.05 -1.13 -4.03 12.44 -0.04 -1.26 -4.51 135.00 136.43 3ibu n PRO 30 Ca -0.10 -1.79 -0.08 0.00 -0.04 0.00 0.00 63.50 61.48 3ibu n PRO 30 Cb 0.59 -1.19 -0.09 0.00 -0.04 0.00 0.00 33.50 32.76 3ibu n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3ibu s VAL 31 N -3.53 0.17 0.12 0.52 -7.23 -1.26 -0.21 120.40 108.97 3ibu s VAL 31 Ca 0.66 -1.63 -0.27 0.00 -1.81 0.00 0.00 61.98 58.92 3ibu s VAL 31 Cb -0.02 -1.60 -0.07 0.00 0.56 0.00 0.00 36.38 35.26 3ibu s VAL 31 CO 0.46 -0.76 0.85 -0.62 -0.31 0.00 0.00 175.10 174.72 3ibu s ASP 32 N -2.93 7.39 -0.47 4.85 3.68 -1.26 -3.23 116.67 124.71 3ibu s ASP 32 Ca 0.10 1.66 -0.16 0.00 2.13 0.00 0.00 52.55 56.28 3ibu s ASP 32 Cb 0.07 -2.53 0.06 0.00 -1.45 0.00 0.00 42.92 39.07 3ibu s ASP 32 CO -0.07 0.06 0.41 -0.63 0.13 0.00 0.00 175.17 175.06 3ibu s ILE 33 N -0.43 5.19 -0.66 4.11 1.01 0.14 -4.93 121.20 125.63 3ibu s ILE 33 Ca 0.41 -0.91 -0.25 0.00 0.00 0.00 0.00 60.65 59.90 3ibu s ILE 33 Cb -0.23 -4.11 0.05 0.00 0.01 0.00 0.00 42.46 38.18 3ibu s ILE 33 CO 0.27 -0.56 1.10 -0.62 0.00 0.00 0.00 174.94 175.12 3ibu s ASP 34 N 2.44 6.23 0.49 3.58 3.68 -1.26 -0.93 116.67 130.91 3ibu s ASP 34 Ca 0.06 -0.56 0.18 0.00 2.13 0.00 0.00 52.55 54.35 3ibu s ASP 34 Cb -0.23 -2.49 1.21 0.00 -1.45 0.00 0.00 42.92 39.97 3ibu s ASP 34 CO 0.08 -1.55 2.05 0.71 0.13 0.00 0.00 175.17 176.60 3ibu h THR 35 N 6.02 0.90 0.00 1.71 1.35 -1.94 -1.21 112.91 119.74 3ibu h THR 35 Ca -0.28 -0.05 -0.15 0.00 -0.55 0.00 0.00 66.41 65.38 3ibu h THR 35 Cb 1.06 0.73 -0.02 0.00 -1.73 0.00 0.00 68.15 68.19 3ibu h THR 35 CO 1.20 0.03 -0.72 0.45 -0.25 0.00 0.00 175.52 176.22 3ibu h HIS 36 N 0.15 0.00 0.00 4.73 3.86 -2.03 -3.26 115.15 118.61 3ibu h HIS 36 Ca 0.16 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.27 3ibu h HIS 36 Cb 0.45 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 3ibu h HIS 36 CO -0.00 0.72 -0.95 1.15 0.86 0.00 0.00 177.93 179.72 3ibu h THR 37 N 0.00 0.45 -3.84 2.45 2.02 -1.80 -3.46 112.91 108.72 3ibu h THR 37 Ca -0.01 -1.76 -0.53 0.00 0.77 0.00 0.00 66.41 64.88 3ibu h THR 37 Cb 1.48 2.03 0.09 0.00 -1.74 0.00 0.00 68.15 70.00 3ibu h THR 37 CO 0.09 0.26 0.73 0.00 0.37 0.00 0.00 175.52 176.97 3ibu s ALA 38 N -3.05 3.56 -0.07 6.16 0.00 -0.52 -4.87 121.76 122.97 3ibu s ALA 38 Ca 0.00 1.44 0.03 0.00 0.00 0.00 0.00 51.96 53.44 3ibu s ALA 38 Cb 0.08 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 3ibu s ALA 38 CO 0.78 -0.87 -0.17 0.21 0.00 0.00 0.00 175.76 175.71 3ibu s LYS 39 N -1.76 2.69 0.22 0.00 2.20 -0.99 -4.84 119.74 117.27 3ibu s LYS 39 Ca 0.52 -0.75 -0.31 0.00 -0.36 0.00 0.00 55.97 55.08 3ibu s LYS 39 Cb -0.44 -2.38 -0.11 0.00 -1.51 0.00 0.00 37.83 33.40 3ibu s LYS 39 CO 0.57 0.48 1.57 -0.47 -0.36 0.00 0.00 175.35 177.14 3ibu s TYR 40 N -0.37 2.95 -0.32 4.03 6.14 -1.26 -0.43 117.35 128.09 3ibu s TYR 40 Ca 0.03 0.72 -0.01 0.00 0.64 0.00 0.00 57.07 58.45 3ibu s TYR 40 Cb -0.12 -3.97 0.06 0.00 0.42 0.00 0.00 41.96 38.35 3ibu s TYR 40 CO 0.02 -3.43 0.03 0.34 0.64 0.00 0.00 175.55 173.15 3ibu s ASP 41 N 0.79 4.92 0.55 4.32 3.68 -0.37 -4.83 116.67 125.73 3ibu s ASP 41 Ca 0.66 -1.46 0.33 0.00 2.13 0.00 0.00 52.55 54.21 3ibu s ASP 41 Cb -0.45 -1.72 1.59 0.00 -1.45 0.00 0.00 42.92 40.89 3ibu s ASP 41 CO 0.38 -0.31 2.09 -0.65 0.13 0.00 0.00 175.17 176.81 3ibu h PRO 42 N 7.97 0.00 0.00 4.34 0.11 -1.93 -2.72 132.00 139.76 3ibu h PRO 42 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 3ibu h PRO 42 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3ibu h PRO 42 CO 0.55 0.07 0.00 -1.13 -0.21 0.00 0.00 178.00 177.28 3ibu n SER 43 N -3.34 0.00 -4.71 -2.05 3.41 -1.26 -4.77 113.62 100.90 3ibu n SER 43 Ca -0.01 0.36 -0.42 0.00 -0.26 0.00 0.00 58.87 58.54 3ibu n SER 43 Cb 0.24 -0.44 -0.03 0.00 -0.26 0.00 0.00 64.21 63.72 3ibu n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ibu s LEU 44 N -2.89 4.36 0.61 1.04 1.43 -1.03 -4.99 118.68 117.21 3ibu s LEU 44 Ca 0.14 2.00 -0.07 0.00 -1.03 0.00 0.00 54.13 55.17 3ibu s LEU 44 Cb 0.15 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.80 3ibu s LEU 44 CO 0.39 -0.50 0.94 -0.54 0.23 0.00 0.00 176.35 176.87 3ibu s LYS 45 N 1.28 2.88 0.29 1.70 -0.14 -1.05 -4.90 119.74 119.82 3ibu s LYS 45 Ca 0.59 0.07 -0.30 0.00 -1.36 0.00 0.00 55.97 54.97 3ibu s LYS 45 Cb -0.29 -2.22 -0.12 0.00 -1.68 0.00 0.00 37.83 33.52 3ibu s LYS 45 CO 0.28 -0.78 1.56 -2.30 -0.76 0.00 0.00 175.35 173.35 3ibu n PRO 46 N -2.67 2.60 -2.59 -1.68 -0.02 -1.26 -1.05 135.00 128.33 3ibu n PRO 46 Ca 0.05 0.92 -0.40 0.00 -2.02 0.00 0.00 63.50 62.05 3ibu n PRO 46 Cb 0.58 -2.68 -0.05 0.00 -0.02 0.00 0.00 33.50 31.33 3ibu n PRO 46 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3ibu s LEU 47 N -0.54 4.58 -0.19 2.45 2.96 -1.26 -2.18 118.68 124.50 3ibu s LEU 47 Ca 0.63 2.12 0.00 0.00 -0.22 0.00 0.00 54.13 56.67 3ibu s LEU 47 Cb -0.52 -3.62 0.04 0.00 0.50 0.00 0.00 46.19 42.60 3ibu s LEU 47 CO 0.50 -0.04 -0.09 -0.55 -1.32 0.00 0.00 176.35 174.86 3ibu s SER 48 N -0.88 3.23 -0.33 3.68 0.15 0.82 -4.88 113.70 115.50 3ibu s SER 48 Ca 0.44 -0.82 -0.02 0.00 0.70 0.00 0.00 55.95 56.24 3ibu s SER 48 Cb -0.29 -1.14 0.06 0.00 -1.71 0.00 0.00 66.02 62.94 3ibu s SER 48 CO 0.37 -0.16 0.05 -0.69 1.20 0.00 0.00 173.24 174.01 3ibu s VAL 49 N 1.47 3.11 -0.54 4.45 1.01 -1.26 -1.23 120.40 127.41 3ibu s VAL 49 Ca -0.01 -1.52 0.01 0.00 0.00 0.00 0.00 61.98 60.46 3ibu s VAL 49 Cb -0.16 -2.87 0.14 0.00 0.00 0.00 0.00 36.38 33.49 3ibu s VAL 49 CO -0.08 -0.25 0.31 -0.44 0.00 0.00 0.00 175.10 174.64 3ibu s SER 50 N 1.38 4.78 -0.01 3.32 0.01 -0.46 -4.90 113.70 117.82 3ibu s SER 50 Ca -0.02 -2.80 0.16 0.00 1.31 0.00 0.00 55.95 54.61 3ibu s SER 50 Cb -0.20 -1.74 0.48 0.00 0.21 0.00 0.00 66.02 64.77 3ibu s SER 50 CO -0.01 -0.32 1.40 -1.22 0.41 0.00 0.00 173.24 173.50 3ibu n TYR 51 N 3.47 0.75 -0.34 2.43 0.53 -1.26 -1.60 117.16 121.15 3ibu n TYR 51 Ca 0.05 -0.51 0.10 0.00 -1.02 0.00 0.00 57.90 56.52 3ibu n TYR 51 Cb 0.36 -0.03 0.27 0.00 -1.03 0.00 0.00 39.34 38.91 3ibu n TYR 51 CO 0.00 0.00 0.00 0.38 -1.02 0.00 0.00 176.86 176.22 3ibu h ASP 52 N 3.12 0.73 -0.65 7.72 2.03 -1.98 -2.01 116.42 125.37 3ibu h ASP 52 Ca 0.00 0.08 0.00 0.00 -0.73 0.00 0.00 57.03 56.38 3ibu h ASP 52 Cb 0.90 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.35 3ibu h ASP 52 CO 0.02 0.30 0.00 0.00 -1.03 0.00 0.00 179.24 178.53 3ibu n GLN 53 N -4.77 3.97 -1.77 4.15 1.13 -1.26 -4.99 117.38 113.83 3ibu n GLN 53 Ca 0.20 -2.96 -0.41 0.00 -1.94 0.00 0.00 57.00 51.89 3ibu n GLN 53 Cb 0.48 -1.97 -0.01 0.00 0.11 0.00 0.00 30.24 28.85 3ibu n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3ibu s ALA 54 N -2.00 3.73 -0.28 -1.58 0.00 -0.76 -4.55 121.76 116.32 3ibu s ALA 54 Ca 0.53 1.58 0.00 0.00 0.00 0.00 0.00 51.96 54.07 3ibu s ALA 54 Cb 0.35 -3.65 0.08 0.00 0.00 0.00 0.00 23.12 19.91 3ibu s ALA 54 CO 0.24 -1.01 0.04 -0.08 0.00 0.00 0.00 175.76 174.95 3ibu s THR 55 N -0.17 1.32 0.58 0.00 -1.32 -1.26 -4.89 115.64 109.90 3ibu s THR 55 Ca 0.62 -1.45 -0.15 0.00 -1.21 0.00 0.00 61.69 59.50 3ibu s THR 55 Cb -0.48 -1.85 -0.05 0.00 -1.51 0.00 0.00 72.50 68.62 3ibu s THR 55 CO 0.50 -0.44 1.03 -0.94 -2.21 0.00 0.00 174.62 172.56 3ibu s SER 56 N 1.43 6.12 0.00 8.08 1.04 -1.26 -1.09 113.70 128.02 3ibu s SER 56 Ca 0.04 1.66 0.00 0.00 0.48 0.00 0.00 55.95 58.13 3ibu s SER 56 Cb -0.18 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.43 3ibu s SER 56 CO -0.14 -0.93 0.00 0.18 0.98 0.00 0.00 173.24 173.32 3ibu n LEU 57 N -2.04 1.65 -3.57 2.42 4.77 0.35 -3.96 117.00 116.63 3ibu n LEU 57 Ca 0.07 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.95 3ibu n LEU 57 Cb 0.53 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 3ibu n LEU 57 CO 0.49 0.25 0.32 -0.60 -1.33 0.00 0.00 177.39 176.52 3ibu s ARG 58 N -1.68 1.28 -0.04 3.23 3.52 -1.23 -1.78 118.95 122.25 3ibu s ARG 58 Ca 0.00 -0.65 0.05 0.00 -0.13 0.00 0.00 55.73 55.01 3ibu s ARG 58 Cb 0.00 0.55 -0.01 0.00 -1.56 0.00 0.00 34.95 33.93 3ibu s ARG 58 CO 0.00 -0.55 -0.21 -1.50 -0.81 0.00 0.00 175.30 172.23 3ibu s ILE 59 N -3.80 1.72 -0.01 4.11 2.07 -0.40 -0.36 121.20 124.52 3ibu s ILE 59 Ca 0.04 -0.89 0.02 0.00 -1.41 0.00 0.00 60.65 58.41 3ibu s ILE 59 Cb -0.01 -1.45 0.00 0.00 0.13 0.00 0.00 42.46 41.13 3ibu s ILE 59 CO -0.09 0.49 -0.06 -0.22 -1.91 0.00 0.00 174.94 173.15 3ibu s LEU 60 N -0.15 1.83 -0.43 8.50 2.96 0.01 -1.20 118.68 130.19 3ibu s LEU 60 Ca -0.01 -0.11 -0.19 0.00 -0.22 0.00 0.00 54.13 53.60 3ibu s LEU 60 Cb -0.12 -0.35 0.02 0.00 0.50 0.00 0.00 46.19 46.25 3ibu s LEU 60 CO 0.02 0.04 0.53 0.21 -1.32 0.00 0.00 176.35 175.83 3ibu s ASN 61 N 0.13 6.25 -0.04 3.68 3.84 -0.25 -0.24 114.94 128.31 3ibu s ASN 61 Ca -0.01 -0.56 0.17 0.00 0.21 0.00 0.00 52.86 52.67 3ibu s ASN 61 Cb -0.06 -2.26 0.57 0.00 -0.55 0.00 0.00 41.25 38.95 3ibu s ASN 61 CO -0.00 -0.68 1.47 -0.46 -2.79 0.00 0.00 177.10 174.64 3ibu n ASN 62 N 5.89 3.65 0.00 -4.21 0.23 -0.80 -0.64 115.26 119.37 3ibu n ASN 62 Ca -0.05 -2.17 0.00 0.00 -0.53 0.00 0.00 54.58 51.83 3ibu n ASN 62 Cb 0.47 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 37.71 3ibu n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ibu n GLY 63 N 1.28 1.20 0.00 4.83 0.00 -1.26 -4.77 105.19 106.46 3ibu n GLY 63 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3ibu n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ibu n HIS 64 N -2.00 0.00 -3.20 1.61 8.25 -1.26 -4.74 115.22 113.88 3ibu n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3ibu n HIS 64 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3ibu n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ibu n ALA 65 N -1.44 0.00 -2.69 -1.41 0.00 -1.26 -4.86 120.51 108.84 3ibu n ALA 65 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 3ibu n ALA 65 Cb 0.30 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.59 3ibu n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3ibu s PHE 66 N -4.88 1.93 -0.17 0.00 -0.12 -1.26 -1.91 117.98 111.57 3ibu s PHE 66 Ca 0.00 -0.49 -0.04 0.00 -0.05 0.00 0.00 56.93 56.34 3ibu s PHE 66 Cb 0.00 -1.27 -0.03 0.00 -0.63 0.00 0.00 43.02 41.09 3ibu s PHE 66 CO 0.00 -0.13 -0.02 -0.80 -0.05 0.00 0.00 175.22 174.22 3ibu s ASN 67 N -0.20 4.93 -0.39 1.98 0.02 0.67 -4.29 114.94 117.66 3ibu s ASN 67 Ca 0.00 -0.11 -0.15 0.00 -1.02 0.00 0.00 52.86 51.58 3ibu s ASN 67 Cb -0.11 -1.82 0.01 0.00 0.02 0.00 0.00 41.25 39.36 3ibu s ASN 67 CO 0.01 0.15 0.33 -0.69 0.02 0.00 0.00 177.10 176.93 3ibu s VAL 68 N 0.47 5.21 0.16 1.60 1.01 -0.17 -0.81 120.40 127.87 3ibu s VAL 68 Ca -0.02 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 3ibu s VAL 68 Cb -0.14 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 3ibu s VAL 68 CO 0.02 -0.26 0.45 -1.61 0.00 0.00 0.00 175.10 173.71 3ibu s GLU 69 N 1.85 3.74 0.17 2.72 2.02 0.51 -1.67 118.70 128.03 3ibu s GLU 69 Ca 0.08 0.14 0.10 0.00 0.02 0.00 0.00 54.97 55.30 3ibu s GLU 69 Cb -0.18 -2.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.20 3ibu s GLU 69 CO 0.11 0.43 -0.22 -0.06 0.02 0.00 0.00 175.26 175.55 3ibu s PHE 70 N -1.65 2.06 -0.52 1.61 0.40 -0.51 -0.49 117.98 118.89 3ibu s PHE 70 Ca 0.41 -0.41 -0.28 0.00 -0.60 0.00 0.00 56.93 56.05 3ibu s PHE 70 Cb -0.12 -1.04 0.03 0.00 0.51 0.00 0.00 43.02 42.39 3ibu s PHE 70 CO 0.22 0.39 1.14 0.34 0.70 0.00 0.00 175.22 178.01 3ibu s ASP 71 N -2.53 6.54 -0.36 1.36 2.15 -0.25 -4.84 116.67 118.74 3ibu s ASP 71 Ca 0.17 0.28 0.07 0.00 0.43 0.00 0.00 52.55 53.50 3ibu s ASP 71 Cb -0.08 -2.54 0.60 0.00 -0.30 0.00 0.00 42.92 40.60 3ibu s ASP 71 CO 0.08 -1.34 1.68 -0.90 -0.17 0.00 0.00 175.17 174.52 3ibu n ASP 72 N 8.04 3.24 0.10 -0.34 3.85 -1.26 -4.53 116.55 125.65 3ibu n ASP 72 Ca 0.10 -3.64 0.13 0.00 -0.71 0.00 0.00 54.79 50.67 3ibu n ASP 72 Cb 0.49 -0.73 0.35 0.00 -1.35 0.00 0.00 41.12 39.88 3ibu n ASP 72 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 3ibu h SER 73 N 1.16 0.00 -3.45 -1.12 4.64 -1.95 -3.46 113.55 109.37 3ibu h SER 73 Ca 0.39 -0.04 -0.42 0.00 -0.47 0.00 0.00 61.79 61.25 3ibu h SER 73 Cb 2.22 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 64.16 3ibu h SER 73 CO 0.71 0.02 -0.70 -1.10 -0.87 0.00 0.00 176.83 174.90 3ibu s GLN 74 N -3.12 1.34 -1.10 4.77 -0.21 -1.26 -5.06 119.66 115.01 3ibu s GLN 74 Ca 0.10 -1.63 -0.23 0.00 0.02 0.00 0.00 55.36 53.61 3ibu s GLN 74 Cb 0.12 -0.91 -0.07 0.00 1.00 0.00 0.00 33.01 33.15 3ibu s GLN 74 CO 0.63 0.05 1.93 0.34 -2.12 0.00 0.00 175.29 176.12 3ibu s ASP 75 N -3.32 5.10 0.05 5.90 2.15 -1.26 -4.86 116.67 120.43 3ibu s ASP 75 Ca 0.25 -1.39 -0.03 0.00 0.43 0.00 0.00 52.55 51.81 3ibu s ASP 75 Cb 0.03 -2.58 -0.03 0.00 -0.30 0.00 0.00 42.92 40.04 3ibu s ASP 75 CO 0.07 -2.95 0.02 -0.54 -0.17 0.00 0.00 175.17 171.60 3ibu s LYS 76 N 6.58 0.61 -0.31 4.34 1.02 -1.26 -4.99 119.74 125.73 3ibu s LYS 76 Ca 0.69 -1.05 -0.20 0.00 0.02 0.00 0.00 55.97 55.42 3ibu s LYS 76 Cb -0.02 0.22 0.03 0.00 -0.52 0.00 0.00 37.83 37.54 3ibu s LYS 76 CO 0.09 -0.13 0.40 0.00 -0.92 0.00 0.00 175.35 174.79 3ibu n ALA 77 N 0.34 -2.51 -2.49 5.17 0.00 -1.23 -4.37 120.51 115.41 3ibu n ALA 77 Ca -0.16 0.44 -0.25 0.00 0.00 0.00 0.00 53.44 53.48 3ibu n ALA 77 Cb 0.60 -1.97 -0.12 0.00 0.00 0.00 0.00 19.45 17.96 3ibu n ALA 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3ibu s VAL 78 N -1.60 1.88 -0.09 0.00 -7.23 -0.62 -0.95 120.40 111.79 3ibu s VAL 78 Ca 0.21 -1.68 0.04 0.00 -1.81 0.00 0.00 61.98 58.74 3ibu s VAL 78 Cb -0.03 -1.73 -0.01 0.00 0.56 0.00 0.00 36.38 35.17 3ibu s VAL 78 CO 0.62 -0.07 -0.22 -0.22 -0.31 0.00 0.00 175.10 174.90 3ibu s LEU 79 N -2.11 2.22 0.37 1.32 2.96 0.69 -1.36 118.68 122.78 3ibu s LEU 79 Ca 0.10 -0.49 -0.08 0.00 -0.22 0.00 0.00 54.13 53.44 3ibu s LEU 79 Cb -0.09 -1.44 0.03 0.00 0.50 0.00 0.00 46.19 45.18 3ibu s LEU 79 CO 0.05 0.19 0.62 -1.59 -1.32 0.00 0.00 176.35 174.30 3ibu s LYS 80 N 0.18 2.09 1.48 1.98 -2.85 -0.37 -1.30 119.74 120.95 3ibu s LYS 80 Ca -0.13 -1.65 0.00 0.00 -1.00 0.00 0.00 55.97 53.19 3ibu s LYS 80 Cb -0.16 0.53 0.00 0.00 -2.06 0.00 0.00 37.83 36.13 3ibu s LYS 80 CO 0.07 -0.92 0.00 0.41 0.10 0.00 0.00 175.35 175.01 3ibu n GLY 81 N -0.56 -1.72 7.00 0.59 0.00 -1.26 -0.12 105.19 109.11 3ibu n GLY 81 Ca -0.03 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3ibu n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ibu n GLY 82 N 0.00 3.38 0.18 -0.02 0.00 -0.22 -1.36 105.19 107.15 3ibu n GLY 82 Ca 0.00 -0.15 0.14 0.00 0.00 0.00 0.00 46.02 46.01 3ibu n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ibu n PRO 83 N 13.88 0.87 -2.87 1.61 -0.04 -1.26 -2.53 135.00 144.66 3ibu n PRO 83 Ca 0.00 -0.35 -0.39 0.00 -0.04 0.00 0.00 63.50 62.71 3ibu n PRO 83 Cb 0.00 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 31.91 3ibu n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ibu s LEU 84 N -2.37 4.60 -0.30 1.53 1.43 -0.46 -5.04 118.68 118.06 3ibu s LEU 84 Ca 0.31 1.79 -0.05 0.00 -1.03 0.00 0.00 54.13 55.14 3ibu s LEU 84 Cb 0.20 -3.47 0.02 0.00 0.03 0.00 0.00 46.19 42.98 3ibu s LEU 84 CO 0.45 0.17 0.06 -1.81 0.23 0.00 0.00 176.35 175.45 3ibu s ASP 85 N -1.19 5.04 0.00 2.29 1.01 -1.26 -4.21 116.67 118.35 3ibu s ASP 85 Ca 0.39 -0.92 0.00 0.00 0.71 0.00 0.00 52.55 52.73 3ibu s ASP 85 Cb -0.24 -1.83 0.00 0.00 1.01 0.00 0.00 42.92 41.86 3ibu s ASP 85 CO 0.29 -0.23 0.00 0.61 0.21 0.00 0.00 175.17 176.05 3ibu n GLY 86 N 4.80 -1.81 3.41 0.21 0.00 -1.26 -4.97 105.19 105.57 3ibu n GLY 86 Ca -0.14 -1.91 -0.32 0.00 0.00 0.00 0.00 46.02 43.65 3ibu n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ibu s THR 87 N 0.00 2.81 -0.10 2.61 -4.23 -1.26 -4.46 115.64 111.01 3ibu s THR 87 Ca 0.00 -0.80 0.02 0.00 -1.18 0.00 0.00 61.69 59.73 3ibu s THR 87 Cb 0.00 -2.09 -0.01 0.00 1.34 0.00 0.00 72.50 71.73 3ibu s THR 87 CO 0.00 0.58 -0.17 -0.31 -0.54 0.00 0.00 174.62 174.18 3ibu s TYR 88 N -0.47 2.69 -0.17 3.99 2.02 -0.42 -1.49 117.35 123.50 3ibu s TYR 88 Ca 0.06 -0.64 -0.08 0.00 -0.37 0.00 0.00 57.07 56.04 3ibu s TYR 88 Cb -0.12 -1.74 -0.04 0.00 -0.40 0.00 0.00 41.96 39.66 3ibu s TYR 88 CO 0.02 -0.17 0.11 0.50 -1.57 0.00 0.00 175.55 174.43 3ibu s ARG 89 N 0.06 3.91 0.10 -0.62 3.52 0.05 -0.22 118.95 125.75 3ibu s ARG 89 Ca -0.07 -0.24 -0.31 0.00 -0.13 0.00 0.00 55.73 54.98 3ibu s ARG 89 Cb -0.15 -3.28 -0.08 0.00 -1.56 0.00 0.00 34.95 29.88 3ibu s ARG 89 CO 0.05 0.42 1.47 -1.17 -0.81 0.00 0.00 175.30 175.26 3ibu s LEU 90 N -0.00 4.36 -0.06 -0.88 2.96 -0.13 -1.31 118.68 123.62 3ibu s LEU 90 Ca 0.08 2.38 0.04 0.00 -0.22 0.00 0.00 54.13 56.41 3ibu s LEU 90 Cb -0.12 -3.58 -0.07 0.00 0.50 0.00 0.00 46.19 42.93 3ibu s LEU 90 CO 0.00 -0.74 0.00 0.00 -1.32 0.00 0.00 176.35 174.30 3ibu n ILE 91 N 4.19 0.41 -3.60 6.68 3.06 -0.15 -4.59 119.36 125.35 3ibu n ILE 91 Ca 0.13 -0.23 -0.03 0.00 -2.50 0.00 0.00 62.75 60.12 3ibu n ILE 91 Cb 0.41 -0.83 -0.01 0.00 0.54 0.00 0.00 39.64 39.75 3ibu n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3ibu s GLN 92 N -2.14 0.56 0.05 9.51 1.03 -1.21 -1.42 119.66 126.04 3ibu s GLN 92 Ca -0.04 -0.25 0.01 0.00 0.04 0.00 0.00 55.36 55.11 3ibu s GLN 92 Cb 0.02 0.22 -0.03 0.00 0.03 0.00 0.00 33.01 33.25 3ibu s GLN 92 CO 0.22 -0.25 -0.05 -0.59 -2.54 0.00 0.00 175.29 172.09 3ibu s PHE 93 N -2.68 0.58 0.33 9.60 -0.12 -0.67 -0.55 117.98 124.47 3ibu s PHE 93 Ca 0.10 -0.80 -0.16 0.00 -0.05 0.00 0.00 56.93 56.02 3ibu s PHE 93 Cb 0.01 -0.38 0.03 0.00 -0.63 0.00 0.00 43.02 42.05 3ibu s PHE 93 CO -0.04 -0.22 0.71 -3.38 -0.05 0.00 0.00 175.22 172.23 3ibu s HIS 94 N -2.81 0.13 0.29 3.49 -3.43 -0.69 -1.00 115.29 111.27 3ibu s HIS 94 Ca -0.00 -0.67 0.05 0.00 -0.80 0.00 0.00 55.06 53.64 3ibu s HIS 94 Cb -0.00 0.65 -0.06 0.00 -1.43 0.00 0.00 32.58 31.74 3ibu s HIS 94 CO -0.05 -1.37 0.01 -0.06 -2.00 0.00 0.00 174.74 171.27 3ibu s PHE 95 N -3.07 1.89 -0.04 0.38 0.40 -1.26 -0.54 117.98 115.74 3ibu s PHE 95 Ca 0.16 -0.86 0.02 0.00 -0.60 0.00 0.00 56.93 55.65 3ibu s PHE 95 Cb -0.05 -1.16 0.01 0.00 0.51 0.00 0.00 43.02 42.33 3ibu s PHE 95 CO 0.11 0.10 -0.09 -1.01 0.70 0.00 0.00 175.22 175.02 3ibu s HIS 96 N -3.22 1.05 0.23 0.36 3.76 -0.36 -4.75 115.29 112.36 3ibu s HIS 96 Ca 0.32 -0.31 -0.08 0.00 -0.15 0.00 0.00 55.06 54.85 3ibu s HIS 96 Cb 0.07 -0.78 -0.02 0.00 1.11 0.00 0.00 32.58 32.96 3ibu s HIS 96 CO 0.13 -0.16 0.34 1.67 -0.85 0.00 0.00 174.74 175.87 3ibu s TRP 97 N 0.47 0.71 0.49 1.40 -2.14 -1.22 -0.98 118.94 117.67 3ibu s TRP 97 Ca -0.08 -1.01 0.05 0.00 2.66 0.00 0.00 56.10 57.72 3ibu s TRP 97 Cb -0.12 -0.12 0.05 0.00 -3.10 0.00 0.00 33.47 30.18 3ibu s TRP 97 CO 0.01 -0.87 0.41 0.41 -2.66 0.00 0.00 176.95 174.25 3ibu n GLY 98 N -0.35 2.68 0.05 3.67 0.00 -1.17 -0.46 105.19 109.61 3ibu n GLY 98 Ca 0.00 -2.28 0.12 0.00 0.00 0.00 0.00 46.02 43.86 3ibu n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ibu n SER 99 N -1.91 0.65 -4.07 1.61 3.41 -1.26 -4.23 113.62 107.81 3ibu n SER 99 Ca 0.00 0.10 -0.08 0.00 -0.26 0.00 0.00 58.87 58.63 3ibu n SER 99 Cb 0.56 0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 64.51 3ibu n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ibu s LEU 100 N -4.00 2.42 0.55 1.04 1.43 -1.26 -5.05 118.68 113.81 3ibu s LEU 100 Ca 0.07 -0.86 0.26 0.00 -1.03 0.00 0.00 54.13 52.58 3ibu s LEU 100 Cb 0.14 0.12 1.58 0.00 0.03 0.00 0.00 46.19 48.07 3ibu s LEU 100 CO 0.70 -0.49 2.17 0.44 0.23 0.00 0.00 176.35 179.40 3ibu h ASP 101 N 3.56 0.00 0.15 2.29 3.45 -1.91 -2.82 116.42 121.13 3ibu h ASP 101 Ca -0.34 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.12 3ibu h ASP 101 Cb 1.16 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.93 3ibu h ASP 101 CO 0.58 0.05 0.00 0.61 -1.57 0.00 0.00 179.24 178.92 3ibu n GLY 102 N -1.12 -0.74 3.52 2.75 0.00 -1.26 -3.51 105.19 104.83 3ibu n GLY 102 Ca -0.03 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 3ibu n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ibu s GLN 103 N -2.24 1.40 0.00 1.61 -2.07 -1.07 -4.71 119.66 112.58 3ibu s GLN 103 Ca 0.25 -1.02 0.00 0.00 -1.82 0.00 0.00 55.36 52.76 3ibu s GLN 103 Cb 0.13 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.54 3ibu s GLN 103 CO 0.25 -0.58 0.00 0.41 -1.32 0.00 0.00 175.29 174.05 3ibu n GLY 104 N -0.33 2.59 3.82 2.60 0.00 -1.06 -3.06 105.19 109.74 3ibu n GLY 104 Ca -0.07 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 3ibu n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ibu s SER 105 N 0.00 5.64 -0.20 1.61 1.04 -0.59 -3.45 113.70 117.75 3ibu s SER 105 Ca 0.00 1.67 -0.16 0.00 0.48 0.00 0.00 55.95 57.94 3ibu s SER 105 Cb 0.00 -2.51 -0.11 0.00 0.10 0.00 0.00 66.02 63.50 3ibu s SER 105 CO 0.00 -1.27 -0.09 -0.62 0.98 0.00 0.00 173.24 172.24 3ibu n GLU 106 N -2.65 0.53 -2.24 4.02 1.02 -1.26 -4.83 120.64 115.23 3ibu n GLU 106 Ca 0.08 0.45 -0.33 0.00 -0.02 0.00 0.00 57.16 57.34 3ibu n GLU 106 Cb 0.53 -1.64 -0.01 0.00 -0.02 0.00 0.00 31.44 30.30 3ibu n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3ibu s HIS 107 N -2.43 3.10 0.14 -0.32 3.76 -1.26 -4.24 115.29 114.04 3ibu s HIS 107 Ca -0.27 1.52 0.06 0.00 -0.15 0.00 0.00 55.06 56.22 3ibu s HIS 107 Cb 0.06 -2.97 -0.04 0.00 1.11 0.00 0.00 32.58 30.74 3ibu s HIS 107 CO 0.44 -0.86 -0.13 0.95 -0.85 0.00 0.00 174.74 174.28 3ibu s THR 108 N -2.39 1.36 -0.26 1.30 -4.23 -1.20 -4.69 115.64 105.54 3ibu s THR 108 Ca 0.63 -1.91 0.03 0.00 -1.18 0.00 0.00 61.69 59.26 3ibu s THR 108 Cb -0.15 -1.72 0.06 0.00 1.34 0.00 0.00 72.50 72.04 3ibu s THR 108 CO 0.32 -0.54 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.06 3ibu s VAL 109 N -2.63 2.08 -1.46 2.29 1.01 -0.83 0.24 120.40 121.12 3ibu s VAL 109 Ca 0.14 -1.59 -0.10 0.00 0.00 0.00 0.00 61.98 60.43 3ibu s VAL 109 Cb -0.02 -2.21 0.06 0.00 0.00 0.00 0.00 36.38 34.20 3ibu s VAL 109 CO 0.03 -0.04 0.95 0.47 0.00 0.00 0.00 175.10 176.51 3ibu n ASP 110 N 4.46 -4.21 0.00 3.32 10.43 -0.10 -0.76 116.55 129.68 3ibu n ASP 110 Ca -0.14 -0.75 0.00 0.00 2.57 0.00 0.00 54.79 56.47 3ibu n ASP 110 Cb 0.42 -4.10 0.00 0.00 1.84 0.00 0.00 41.12 39.29 3ibu n ASP 110 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3ibu n LYS 111 N -4.64 0.00 -2.52 -1.24 4.76 -1.26 -4.99 118.16 108.27 3ibu n LYS 111 Ca -0.04 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.98 3ibu n LYS 111 Cb 0.56 -3.15 -0.03 0.00 -1.84 0.00 0.00 35.03 30.57 3ibu n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3ibu s LYS 112 N -0.33 4.48 -0.19 1.97 2.20 0.06 -5.00 119.74 122.93 3ibu s LYS 112 Ca 0.00 1.66 -0.09 0.00 -0.36 0.00 0.00 55.97 57.17 3ibu s LYS 112 Cb 0.00 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.89 3ibu s LYS 112 CO 0.00 -0.18 0.11 0.15 -0.36 0.00 0.00 175.35 175.07 3ibu s LYS 113 N 1.01 4.10 0.60 4.03 1.02 -1.26 -1.96 119.74 127.28 3ibu s LYS 113 Ca 0.56 -0.26 -0.01 0.00 0.02 0.00 0.00 55.97 56.28 3ibu s LYS 113 Cb -0.27 -3.35 0.04 0.00 -0.52 0.00 0.00 37.83 33.74 3ibu s LYS 113 CO 0.29 0.30 0.85 0.71 -0.92 0.00 0.00 175.35 176.59 3ibu s TYR 114 N 0.33 2.87 0.40 3.18 1.51 -1.26 -4.60 117.35 119.77 3ibu s TYR 114 Ca 0.07 0.13 0.15 0.00 -1.01 0.00 0.00 57.07 56.41 3ibu s TYR 114 Cb -0.11 -2.90 0.93 0.00 -0.11 0.00 0.00 41.96 39.76 3ibu s TYR 114 CO -0.01 -1.05 1.92 0.00 -1.11 0.00 0.00 175.55 175.30 3ibu h ALA 115 N -0.15 1.49 -2.55 3.71 0.00 -1.45 -1.51 119.26 118.81 3ibu h ALA 115 Ca -0.43 -0.24 0.14 0.00 0.00 0.00 0.00 54.91 54.38 3ibu h ALA 115 Cb 1.30 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 3ibu h ALA 115 CO 0.55 0.33 0.45 0.00 0.00 0.00 0.00 179.25 180.58 3ibu s ALA 116 N -4.36 -1.47 -0.10 0.00 0.00 -1.11 -3.13 121.76 111.59 3ibu s ALA 116 Ca -0.03 -0.16 -0.05 0.00 0.00 0.00 0.00 51.96 51.72 3ibu s ALA 116 Cb 0.15 0.70 0.04 0.00 0.00 0.00 0.00 23.12 24.01 3ibu s ALA 116 CO 0.70 -1.04 0.24 -2.00 0.00 0.00 0.00 175.76 173.65 3ibu s GLU 117 N -2.95 0.20 -0.12 0.00 2.12 -0.15 -1.03 118.70 116.78 3ibu s GLU 117 Ca 0.15 0.51 -0.12 0.00 0.36 0.00 0.00 54.97 55.87 3ibu s GLU 117 Cb -0.03 -0.11 -0.05 0.00 0.26 0.00 0.00 34.13 34.20 3ibu s GLU 117 CO 0.05 -0.16 0.28 -1.17 -0.54 0.00 0.00 175.26 173.72 3ibu s LEU 118 N 1.20 4.33 -0.20 2.70 2.96 0.91 -1.23 118.68 129.35 3ibu s LEU 118 Ca -0.09 0.59 0.01 0.00 -0.22 0.00 0.00 54.13 54.43 3ibu s LEU 118 Cb -0.10 -2.34 0.04 0.00 0.50 0.00 0.00 46.19 44.28 3ibu s LEU 118 CO -0.08 0.22 -0.13 -1.00 -1.32 0.00 0.00 176.35 174.04 3ibu s HIS 119 N -0.22 2.65 -0.39 5.38 3.76 0.30 -0.88 115.29 125.90 3ibu s HIS 119 Ca 0.17 -1.72 -0.13 0.00 -0.15 0.00 0.00 55.06 53.24 3ibu s HIS 119 Cb -0.14 -1.76 0.02 0.00 1.11 0.00 0.00 32.58 31.81 3ibu s HIS 119 CO 0.06 -0.78 0.25 -0.51 -0.85 0.00 0.00 174.74 172.91 3ibu s LEU 120 N 1.32 4.87 -0.14 0.89 1.43 -0.43 -1.70 118.68 124.92 3ibu s LEU 120 Ca -0.01 -0.91 -0.19 0.00 -1.03 0.00 0.00 54.13 52.00 3ibu s LEU 120 Cb -0.16 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 3ibu s LEU 120 CO -0.09 -0.40 0.52 -0.69 0.23 0.00 0.00 176.35 175.92 3ibu s VAL 121 N 1.62 5.14 0.05 -1.59 1.01 0.28 -1.35 120.40 125.57 3ibu s VAL 121 Ca 0.04 1.02 0.05 0.00 0.00 0.00 0.00 61.98 63.09 3ibu s VAL 121 Cb -0.19 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 3ibu s VAL 121 CO 0.08 0.26 -0.15 -1.00 0.00 0.00 0.00 175.10 174.30 3ibu s HIS 122 N 1.00 1.26 0.03 5.22 3.76 -0.34 -0.98 115.29 125.25 3ibu s HIS 122 Ca 0.27 -0.38 0.07 0.00 -0.15 0.00 0.00 55.06 54.86 3ibu s HIS 122 Cb -0.15 -0.74 -0.03 0.00 1.11 0.00 0.00 32.58 32.77 3ibu s HIS 122 CO 0.11 0.05 -0.18 1.67 -0.85 0.00 0.00 174.74 175.54 3ibu s TRP 123 N -0.97 2.56 -0.20 1.40 1.48 -0.43 -1.19 118.94 121.60 3ibu s TRP 123 Ca 0.01 -0.26 -0.29 0.00 -1.06 0.00 0.00 56.10 54.50 3ibu s TRP 123 Cb -0.09 -1.48 -0.04 0.00 -1.16 0.00 0.00 33.47 30.70 3ibu s TRP 123 CO 0.02 0.23 1.80 1.21 -4.06 0.00 0.00 176.95 176.15 3ibu s ASN 124 N -1.32 6.15 0.62 -2.66 3.84 0.62 -0.77 114.94 121.43 3ibu s ASN 124 Ca 0.14 1.78 0.42 0.00 0.21 0.00 0.00 52.86 55.41 3ibu s ASN 124 Cb -0.10 -2.53 2.25 0.00 -0.55 0.00 0.00 41.25 40.32 3ibu s ASN 124 CO 0.04 -1.42 2.28 0.71 -2.79 0.00 0.00 177.10 175.92 3ibu h THR 125 N 6.35 0.00 0.00 -5.21 1.35 -1.61 -1.90 112.91 111.89 3ibu h THR 125 Ca -0.37 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 3ibu h THR 125 Cb 1.18 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 3ibu h THR 125 CO 0.99 0.00 0.00 0.07 -0.25 0.00 0.00 175.52 176.33 3ibu h LYS 127 N 0.00 0.00 -0.63 4.72 2.10 -1.90 -2.32 116.57 118.54 3ibu h LYS 127 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3ibu h LYS 127 Cb 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 3ibu h LYS 127 CO 0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 3ibu n TYR 128 N -2.33 0.84 0.00 0.07 0.53 -0.72 -5.00 117.16 110.55 3ibu n TYR 128 Ca 0.00 -0.42 0.00 0.00 -1.02 0.00 0.00 57.90 56.46 3ibu n TYR 128 Cb 0.14 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.45 3ibu n TYR 128 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3ibu n GLY 129 N 1.63 1.81 3.76 2.72 0.00 -0.87 -4.44 105.19 109.79 3ibu n GLY 129 Ca 0.23 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 3ibu n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ibu s ASP 130 N 0.00 0.05 0.18 1.61 1.47 -1.26 -5.02 116.67 113.70 3ibu s ASP 130 Ca 0.00 -1.03 -0.13 0.00 1.18 0.00 0.00 52.55 52.57 3ibu s ASP 130 Cb 0.00 0.77 0.12 0.00 -0.34 0.00 0.00 42.92 43.47 3ibu s ASP 130 CO 0.00 -1.50 1.81 0.15 0.68 0.00 0.00 175.17 176.32 3ibu h PHE 131 N 2.04 0.60 -0.63 2.11 3.04 -1.93 -1.75 116.94 120.41 3ibu h PHE 131 Ca -0.28 0.02 0.08 0.00 3.98 0.00 0.00 57.97 61.77 3ibu h PHE 131 Cb 1.25 -0.19 -0.06 0.00 2.56 0.00 0.00 35.95 39.50 3ibu h PHE 131 CO 1.05 0.33 0.29 0.78 -2.02 0.00 0.00 178.31 178.74 3ibu h GLY 132 N 0.63 0.91 1.73 2.40 0.00 -1.97 -1.81 103.07 104.96 3ibu h GLY 132 Ca 0.22 -0.18 -0.18 0.00 0.00 0.00 0.00 47.33 47.19 3ibu h GLY 132 CO -0.11 0.05 -0.78 1.70 0.00 0.00 0.00 176.54 177.40 3ibu h LYS 133 N 0.52 0.25 -0.61 4.80 1.63 -1.78 -3.24 116.57 118.14 3ibu h LYS 133 Ca 0.30 -0.23 -0.03 0.00 -0.85 0.00 0.00 60.65 59.85 3ibu h LYS 133 Cb 0.31 0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.97 3ibu h LYS 133 CO -0.25 0.91 0.27 0.00 -3.45 0.00 0.00 179.45 176.93 3ibu h ALA 134 N 1.02 1.34 0.00 5.00 0.00 -0.60 -2.41 119.26 123.61 3ibu h ALA 134 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3ibu h ALA 134 Cb 1.37 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3ibu h ALA 134 CO 0.12 0.51 0.00 1.33 0.00 0.00 0.00 179.25 181.21 3ibu n VAL 135 N -4.34 0.00 -0.19 0.00 0.24 -0.75 -1.67 118.33 111.62 3ibu n VAL 135 Ca 0.05 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.37 3ibu n VAL 135 Cb 0.14 -0.34 0.03 0.00 -1.47 0.00 0.00 33.84 32.20 3ibu n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ibu n GLN 136 N -0.06 2.70 -4.58 7.34 6.02 -0.91 -4.95 117.38 122.95 3ibu n GLN 136 Ca 0.00 -1.69 -0.25 0.00 -0.01 0.00 0.00 57.00 55.05 3ibu n GLN 136 Cb 0.16 -1.09 -0.14 0.00 1.02 0.00 0.00 30.24 30.19 3ibu n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3ibu s GLN 137 N -1.33 1.30 0.60 -1.09 -1.52 -0.67 -5.03 119.66 111.92 3ibu s GLN 137 Ca 0.06 -0.92 0.37 0.00 -1.95 0.00 0.00 55.36 52.92 3ibu s GLN 137 Cb 0.05 -1.41 1.86 0.00 -0.22 0.00 0.00 33.01 33.29 3ibu s GLN 137 CO 0.01 0.36 2.18 -1.00 -0.25 0.00 0.00 175.29 176.58 3ibu h PRO 138 N 4.84 0.00 -0.36 2.91 0.13 -1.86 -2.53 132.00 135.13 3ibu h PRO 138 Ca -0.42 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.44 3ibu h PRO 138 Cb 1.16 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.02 3ibu h PRO 138 CO 0.44 0.02 -0.77 -0.40 -0.23 0.00 0.00 178.00 177.06 3ibu n ASP 139 N -3.21 2.90 0.14 1.44 3.85 -1.26 -4.31 116.55 116.10 3ibu n ASP 139 Ca -0.02 -3.37 0.01 0.00 -0.71 0.00 0.00 54.79 50.71 3ibu n ASP 139 Cb 0.19 -0.42 0.09 0.00 -1.35 0.00 0.00 41.12 39.63 3ibu n ASP 139 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 3ibu h GLY 140 N 1.69 0.00 -2.84 6.12 0.00 -1.24 -3.43 103.07 103.37 3ibu h GLY 140 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 47.01 3ibu h GLY 140 CO 0.34 0.00 -0.74 1.08 0.00 0.00 0.00 176.54 177.22 3ibu s LEU 141 N -6.74 2.52 -0.04 3.11 1.43 0.03 -0.28 118.68 118.72 3ibu s LEU 141 Ca 0.02 -0.97 -0.02 0.00 -1.03 0.00 0.00 54.13 52.13 3ibu s LEU 141 Cb 0.09 -0.61 0.03 0.00 0.03 0.00 0.00 46.19 45.74 3ibu s LEU 141 CO 0.74 -0.18 0.06 0.00 0.23 0.00 0.00 176.35 177.20 3ibu s ALA 142 N -2.82 0.17 -0.16 4.21 0.00 -0.33 -1.08 121.76 121.75 3ibu s ALA 142 Ca 0.19 0.25 -0.01 0.00 0.00 0.00 0.00 51.96 52.39 3ibu s ALA 142 Cb -0.01 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 3ibu s ALA 142 CO 0.05 -0.42 -0.13 0.08 0.00 0.00 0.00 175.76 175.34 3ibu s VAL 143 N 1.98 2.86 -0.36 0.00 1.01 -0.95 -1.20 120.40 123.74 3ibu s VAL 143 Ca 0.02 -0.70 -0.19 0.00 0.00 0.00 0.00 61.98 61.12 3ibu s VAL 143 Cb -0.12 -2.22 -0.00 0.00 0.00 0.00 0.00 36.38 34.03 3ibu s VAL 143 CO -0.03 0.50 0.54 -0.22 0.00 0.00 0.00 175.10 175.89 3ibu s LEU 144 N 0.82 4.36 -0.14 3.92 2.96 -0.45 -1.63 118.68 128.52 3ibu s LEU 144 Ca -0.04 -0.05 -0.06 0.00 -0.22 0.00 0.00 54.13 53.76 3ibu s LEU 144 Cb -0.15 -2.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.88 3ibu s LEU 144 CO 0.00 -0.52 0.09 -0.83 -1.32 0.00 0.00 176.35 173.77 3ibu s GLY 145 N 1.78 2.01 -0.06 7.98 0.00 0.71 -1.31 107.32 118.44 3ibu s GLY 145 Ca 0.19 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.21 3ibu s GLY 145 CO 0.14 -0.24 -0.04 -0.42 0.00 0.00 0.00 173.10 172.54 3ibu s ILE 146 N -0.46 0.57 0.43 0.90 1.01 -0.06 -1.16 121.20 122.44 3ibu s ILE 146 Ca 0.11 -0.10 -0.21 0.00 0.00 0.00 0.00 60.65 60.44 3ibu s ILE 146 Cb -0.12 -0.62 -0.10 0.00 0.01 0.00 0.00 42.46 41.63 3ibu s ILE 146 CO 0.02 0.25 0.97 -0.36 0.00 0.00 0.00 174.94 175.82 3ibu s PHE 147 N 1.19 3.27 -0.08 3.97 0.08 -1.26 -0.07 117.98 125.09 3ibu s PHE 147 Ca -0.07 1.62 0.05 0.00 0.12 0.00 0.00 56.93 58.65 3ibu s PHE 147 Cb -0.14 -2.92 -0.00 0.00 -0.57 0.00 0.00 43.02 39.39 3ibu s PHE 147 CO -0.02 -0.27 -0.24 -0.51 -0.10 0.00 0.00 175.22 174.09 3ibu s LEU 148 N -3.12 2.06 0.20 -0.37 1.02 -0.20 -0.74 118.68 117.53 3ibu s LEU 148 Ca 0.62 -0.52 0.10 0.00 0.02 0.00 0.00 54.13 54.35 3ibu s LEU 148 Cb -0.12 -1.35 -0.04 0.00 0.02 0.00 0.00 46.19 44.69 3ibu s LEU 148 CO 0.16 0.19 -0.20 -1.59 0.02 0.00 0.00 176.35 174.93 3ibu s LYS 149 N 0.14 1.43 -0.22 1.70 -2.85 -0.57 -2.03 119.74 117.33 3ibu s LYS 149 Ca -0.12 -1.53 -0.18 0.00 -1.00 0.00 0.00 55.97 53.14 3ibu s LYS 149 Cb -0.16 -1.54 -0.03 0.00 -2.06 0.00 0.00 37.83 34.04 3ibu s LYS 149 CO 0.06 0.31 0.51 0.08 0.10 0.00 0.00 175.35 176.41 3ibu s VAL 150 N -2.12 5.10 0.00 1.79 1.01 -1.26 -1.04 120.40 123.89 3ibu s VAL 150 Ca 0.21 0.91 0.00 0.00 0.00 0.00 0.00 61.98 63.09 3ibu s VAL 150 Cb -0.06 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.50 3ibu s VAL 150 CO 0.09 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.95 3ibu n GLY 151 N 4.07 0.54 3.78 4.51 0.00 0.53 -4.91 105.19 113.71 3ibu n GLY 151 Ca -0.05 0.48 -0.34 0.00 0.00 0.00 0.00 46.02 46.11 3ibu n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ibu s SER 152 N 2.00 5.64 0.61 1.61 1.04 -1.26 -3.93 113.70 119.40 3ibu s SER 152 Ca 0.00 2.10 -0.17 0.00 0.48 0.00 0.00 55.95 58.37 3ibu s SER 152 Cb 0.00 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.52 3ibu s SER 152 CO 0.00 -1.27 1.10 0.00 0.98 0.00 0.00 173.24 174.05 3ibu s ALA 153 N -1.94 2.60 -0.44 5.32 0.00 -1.26 -2.14 121.76 123.89 3ibu s ALA 153 Ca 0.71 0.60 -0.10 0.00 0.00 0.00 0.00 51.96 53.16 3ibu s ALA 153 Cb -0.22 -3.31 0.09 0.00 0.00 0.00 0.00 23.12 19.68 3ibu s ALA 153 CO 0.30 -1.01 0.31 0.21 0.00 0.00 0.00 175.76 175.57 3ibu s LYS 154 N -3.82 2.63 0.29 0.00 2.47 -1.20 -4.78 119.74 115.33 3ibu s LYS 154 Ca 0.68 -1.53 0.04 0.00 -1.56 0.00 0.00 55.97 53.59 3ibu s LYS 154 Cb -0.20 -3.88 0.69 0.00 -1.46 0.00 0.00 37.83 32.97 3ibu s LYS 154 CO 0.36 -1.04 1.75 -1.35 0.16 0.00 0.00 175.35 175.22 3ibu h PRO 155 N 8.48 0.59 0.00 4.03 0.11 -1.91 -1.12 132.00 142.18 3ibu h PRO 155 Ca -0.23 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3ibu h PRO 155 Cb 1.08 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3ibu h PRO 155 CO 0.81 0.39 0.00 0.41 -0.21 0.00 0.00 178.00 179.40 3ibu n GLY 156 N -1.33 -0.93 0.06 -0.55 0.00 -1.26 -2.51 105.19 98.68 3ibu n GLY 156 Ca 0.21 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.33 3ibu n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ibu n LEU 157 N -1.62 0.48 -0.36 0.99 7.94 -0.43 -4.49 117.00 119.51 3ibu n LEU 157 Ca 0.02 0.14 0.09 0.00 -1.11 0.00 0.00 56.01 55.15 3ibu n LEU 157 Cb 0.14 -0.04 0.26 0.00 0.53 0.00 0.00 43.42 44.31 3ibu n LEU 157 CO 0.11 -0.08 1.22 -0.61 -1.11 0.00 0.00 177.39 176.93 3ibu h GLN 158 N 0.00 0.90 -0.27 1.96 5.75 -1.52 -0.72 115.11 121.21 3ibu h GLN 158 Ca 0.00 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 3ibu h GLN 158 Cb 0.96 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 29.29 3ibu h GLN 158 CO 0.00 0.60 0.13 0.87 -2.65 0.00 0.00 178.83 177.77 3ibu h LYS 159 N 0.93 0.37 -0.05 1.69 1.57 -1.79 0.54 116.57 119.82 3ibu h LYS 159 Ca 0.52 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 59.24 3ibu h LYS 159 Cb 0.61 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 3ibu h LYS 159 CO -0.30 0.30 -0.08 0.28 -0.57 0.00 0.00 179.45 179.07 3ibu h VAL 160 N 0.38 1.41 -0.57 0.50 2.07 -1.45 -3.15 116.25 115.43 3ibu h VAL 160 Ca 0.10 -1.34 0.07 0.00 0.82 0.00 0.00 66.70 66.35 3ibu h VAL 160 Cb 0.05 2.17 -0.06 0.00 -1.52 0.00 0.00 31.29 31.93 3ibu h VAL 160 CO -0.01 0.37 0.24 0.58 0.02 0.00 0.00 177.57 178.77 3ibu h VAL 161 N -0.33 0.85 0.00 2.57 2.07 -0.62 -2.54 116.25 118.25 3ibu h VAL 161 Ca 0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3ibu h VAL 161 Cb 0.64 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3ibu h VAL 161 CO 0.02 0.08 0.00 0.44 0.02 0.00 0.00 177.57 178.13 3ibu h ASP 162 N 0.46 0.00 0.32 0.57 3.32 -0.96 -2.93 116.42 117.19 3ibu h ASP 162 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3ibu h ASP 162 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3ibu h ASP 162 CO -0.24 0.00 -0.88 0.55 -1.72 0.00 0.00 179.24 176.95 3ibu n VAL 163 N -2.37 0.07 0.28 -1.35 3.14 -0.97 -4.28 118.33 112.85 3ibu n VAL 163 Ca 0.02 -0.11 0.12 0.00 -2.96 0.00 0.00 64.34 61.41 3ibu n VAL 163 Cb 0.24 0.44 0.77 0.00 -1.06 0.00 0.00 33.84 34.24 3ibu n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3ibu h LEU 164 N 0.00 0.00 -2.24 6.55 3.38 -1.43 -1.62 115.31 119.96 3ibu h LEU 164 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3ibu h LEU 164 Cb 0.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 3ibu h LEU 164 CO 0.00 0.02 -0.05 -2.24 0.09 0.00 0.00 178.44 176.25 3ibu h ASP 165 N 0.00 0.00 0.24 -0.43 2.03 -1.78 -2.08 116.42 114.40 3ibu h ASP 165 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3ibu h ASP 165 Cb 0.03 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.53 3ibu h ASP 165 CO 0.00 0.05 -0.29 -1.54 -1.03 0.00 0.00 179.24 176.43 3ibu n SER 166 N -3.50 1.03 -2.61 4.15 3.41 -0.61 -4.07 113.62 111.42 3ibu n SER 166 Ca -0.02 -0.87 -0.09 0.00 -0.26 0.00 0.00 58.87 57.63 3ibu n SER 166 Cb 0.17 0.17 0.04 0.00 -0.26 0.00 0.00 64.21 64.32 3ibu n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3ibu n ILE 167 N -0.70 1.55 -0.36 -1.33 -5.35 -0.80 -4.74 119.36 107.63 3ibu n ILE 167 Ca 0.11 -3.38 0.02 0.00 -0.27 0.00 0.00 62.75 59.23 3ibu n ILE 167 Cb 0.35 0.47 0.16 0.00 -1.74 0.00 0.00 39.64 38.88 3ibu n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3ibu h LYS 168 N 2.61 1.12 -6.21 6.28 3.64 -1.66 -3.42 116.57 118.93 3ibu h LYS 168 Ca 0.01 -0.07 -0.54 0.00 -1.27 0.00 0.00 60.65 58.78 3ibu h LYS 168 Cb 1.27 -0.25 -0.07 0.00 -0.41 0.00 0.00 32.23 32.77 3ibu h LYS 168 CO 0.42 0.74 -0.59 0.95 -2.27 0.00 0.00 179.45 178.71 3ibu s THR 169 N -6.05 3.98 0.21 1.00 -4.23 -1.26 -0.14 115.64 109.15 3ibu s THR 169 Ca -0.13 -1.60 -0.32 0.00 -1.18 0.00 0.00 61.69 58.46 3ibu s THR 169 Cb 0.20 -3.12 -0.14 0.00 1.34 0.00 0.00 72.50 70.77 3ibu s THR 169 CO 0.81 -0.33 1.37 1.17 -0.54 0.00 0.00 174.62 177.10 3ibu n LYS 170 N -0.93 1.81 0.00 3.99 4.81 -0.06 -2.29 118.16 125.48 3ibu n LYS 170 Ca -0.07 0.64 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 3ibu n LYS 170 Cb 0.58 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 33.35 3ibu n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ibu n GLY 171 N 2.29 3.37 3.75 3.14 0.00 0.18 -4.45 105.19 113.47 3ibu n GLY 171 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3ibu n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ibu s LYS 172 N -0.80 4.85 0.15 1.61 1.02 -0.97 -4.87 119.74 120.73 3ibu s LYS 172 Ca 0.00 1.50 0.01 0.00 0.02 0.00 0.00 55.97 57.50 3ibu s LYS 172 Cb 0.00 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 3ibu s LYS 172 CO 0.00 0.50 -0.00 -1.54 -0.92 0.00 0.00 175.35 173.39 3ibu s SER 173 N -1.15 1.07 -0.07 2.83 1.04 -1.26 -1.09 113.70 115.07 3ibu s SER 173 Ca 0.41 -1.14 -0.21 0.00 0.48 0.00 0.00 55.95 55.49 3ibu s SER 173 Cb -0.26 0.14 0.05 0.00 0.10 0.00 0.00 66.02 66.04 3ibu s SER 173 CO 0.32 -0.57 0.49 0.00 0.98 0.00 0.00 173.24 174.46 3ibu s ALA 174 N -3.71 -1.24 0.33 5.32 0.00 -0.34 -4.93 121.76 117.20 3ibu s ALA 174 Ca 0.21 0.93 -0.29 0.00 0.00 0.00 0.00 51.96 52.82 3ibu s ALA 174 Cb 0.06 -0.16 -0.12 0.00 0.00 0.00 0.00 23.12 22.90 3ibu s ALA 174 CO 0.02 -0.29 1.38 -0.25 0.00 0.00 0.00 175.76 176.61 3ibu n ASP 175 N 1.50 3.10 -2.98 0.00 8.00 -1.26 -1.28 116.55 123.62 3ibu n ASP 175 Ca -0.19 1.20 -0.14 0.00 0.71 0.00 0.00 54.79 56.37 3ibu n ASP 175 Cb 0.56 -1.52 -0.02 0.00 -0.02 0.00 0.00 41.12 40.13 3ibu n ASP 175 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3ibu n PHE 176 N 0.71 -2.33 -3.58 1.24 7.35 -0.73 -4.73 117.46 115.39 3ibu n PHE 176 Ca 0.05 -2.37 -0.22 0.00 -0.76 0.00 0.00 57.45 54.15 3ibu n PHE 176 Cb 0.36 0.85 -0.01 0.00 0.35 0.00 0.00 39.48 41.03 3ibu n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3ibu s THR 177 N 0.18 4.98 -1.92 -2.13 -4.23 -1.26 -2.88 115.64 108.39 3ibu s THR 177 Ca 0.32 -0.71 0.00 0.00 -1.18 0.00 0.00 61.69 60.12 3ibu s THR 177 Cb 0.12 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 70.17 3ibu s THR 177 CO -0.16 -0.42 0.00 0.59 -0.54 0.00 0.00 174.62 174.10 3ibu n ASN 178 N -1.65 -5.37 -4.70 3.99 4.13 -1.25 -4.94 115.26 105.46 3ibu n ASN 178 Ca -0.05 0.33 -0.41 0.00 1.68 0.00 0.00 54.58 56.13 3ibu n ASN 178 Cb 0.57 -4.51 -0.04 0.00 -1.54 0.00 0.00 39.78 34.26 3ibu n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3ibu s PHE 179 N -2.78 3.55 -0.43 3.10 5.36 -1.26 -4.98 117.98 120.53 3ibu s PHE 179 Ca 0.00 1.37 -0.16 0.00 -0.96 0.00 0.00 56.93 57.17 3ibu s PHE 179 Cb 0.00 -2.95 0.03 0.00 -0.34 0.00 0.00 43.02 39.76 3ibu s PHE 179 CO 0.00 -0.04 0.40 0.34 -1.46 0.00 0.00 175.22 174.46 3ibu s ASP 180 N 0.96 6.16 0.07 6.13 3.68 -1.26 -4.41 116.67 128.00 3ibu s ASP 180 Ca 0.41 -0.90 0.13 0.00 2.13 0.00 0.00 52.55 54.33 3ibu s ASP 180 Cb -0.18 -2.20 0.59 0.00 -1.45 0.00 0.00 42.92 39.67 3ibu s ASP 180 CO 0.19 -0.57 1.42 -0.81 0.13 0.00 0.00 175.17 175.52 3ibu n PRO 181 N 5.42 0.05 0.27 4.34 -0.04 -1.26 -2.49 135.00 141.28 3ibu n PRO 181 Ca -0.10 0.37 0.12 0.00 -0.04 0.00 0.00 63.50 63.86 3ibu n PRO 181 Cb 0.46 -1.61 0.76 0.00 -0.04 0.00 0.00 33.50 33.08 3ibu n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ibu h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.73 114.38 114.34 3ibu h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ibu h ARG 182 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3ibu h ARG 182 CO 0.00 0.08 0.00 0.41 -1.07 0.00 0.00 179.97 179.39 3ibu n GLY 183 N -0.98 -0.78 0.48 0.04 0.00 -1.04 -2.79 105.19 100.13 3ibu n GLY 183 Ca -0.02 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 45.93 3ibu n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ibu n LEU 184 N -0.89 2.14 -4.80 0.99 4.77 -0.65 -4.08 117.00 114.48 3ibu n LEU 184 Ca 0.15 -1.23 -0.38 0.00 -0.03 0.00 0.00 56.01 54.52 3ibu n LEU 184 Cb 0.07 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 3ibu n LEU 184 CO 0.11 0.45 0.08 -0.76 -1.33 0.00 0.00 177.39 175.94 3ibu s LEU 185 N -0.93 4.40 1.09 2.23 1.43 -1.12 -4.94 118.68 120.84 3ibu s LEU 185 Ca 0.15 0.84 -0.17 0.00 -1.03 0.00 0.00 54.13 53.93 3ibu s LEU 185 Cb 0.10 -2.55 0.24 0.00 0.03 0.00 0.00 46.19 44.01 3ibu s LEU 185 CO 0.14 0.23 1.15 -2.16 0.23 0.00 0.00 176.35 175.94 3ibu s PRO 186 N -0.52 -0.34 0.03 1.29 0.04 -1.26 -4.97 135.00 129.27 3ibu s PRO 186 Ca 0.23 0.01 -0.25 0.00 0.04 0.00 0.00 61.00 61.03 3ibu s PRO 186 Cb -0.16 -1.69 -0.18 0.00 0.04 0.00 0.00 34.50 32.51 3ibu s PRO 186 CO 0.11 -3.14 1.50 0.93 0.04 0.00 0.00 177.00 176.44 3ibu h GLU 187 N -2.17 -0.01 -6.48 4.56 5.08 -1.92 -3.44 114.58 110.19 3ibu h GLU 187 Ca -0.47 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.36 3ibu h GLU 187 Cb 1.30 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 3ibu h GLU 187 CO 0.42 0.24 -0.01 0.45 -1.00 0.00 0.00 179.01 179.12 3ibu s SER 188 N -5.43 6.84 -0.12 1.42 0.15 -1.26 -4.98 113.70 110.31 3ibu s SER 188 Ca -0.14 1.17 0.15 0.00 0.70 0.00 0.00 55.95 57.83 3ibu s SER 188 Cb 0.04 -2.33 0.54 0.00 -1.71 0.00 0.00 66.02 62.56 3ibu s SER 188 CO 0.67 -0.01 1.45 0.18 1.20 0.00 0.00 173.24 176.73 3ibu n LEU 189 N 0.39 3.99 -4.76 3.45 4.77 -1.26 -4.72 117.00 118.85 3ibu n LEU 189 Ca -0.02 -2.59 -0.41 0.00 -0.03 0.00 0.00 56.01 52.96 3ibu n LEU 189 Cb 0.52 -0.48 -0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3ibu n LEU 189 CO 0.43 0.72 1.11 0.47 -1.33 0.00 0.00 177.39 178.79 3ibu n ASP 190 N 0.28 3.67 -3.97 -1.43 10.43 -1.26 -4.91 116.55 119.36 3ibu n ASP 190 Ca 0.20 1.22 -0.09 0.00 2.57 0.00 0.00 54.79 58.70 3ibu n ASP 190 Cb 0.79 -1.60 -0.05 0.00 1.84 0.00 0.00 41.12 42.10 3ibu n ASP 190 CO 0.00 0.00 0.00 -0.72 -1.07 0.00 0.00 177.20 175.41 3ibu s TYR 191 N -1.09 0.27 0.08 1.24 -0.85 -1.26 -1.34 117.35 114.40 3ibu s TYR 191 Ca 0.54 -0.65 0.09 0.00 -0.52 0.00 0.00 57.07 56.53 3ibu s TYR 191 Cb -0.49 0.28 -0.04 0.00 0.38 0.00 0.00 41.96 42.10 3ibu s TYR 191 CO 0.63 -1.04 -0.23 -1.58 -1.52 0.00 0.00 175.55 171.81 3ibu s TRP 192 N -3.99 2.41 0.01 -3.49 0.51 -0.13 -0.92 118.94 113.33 3ibu s TRP 192 Ca 0.20 -0.34 -0.03 0.00 -2.12 0.00 0.00 56.10 53.82 3ibu s TRP 192 Cb -0.02 -1.35 -0.01 0.00 -0.81 0.00 0.00 33.47 31.28 3ibu s TRP 192 CO 0.09 0.27 0.05 -0.08 -0.51 0.00 0.00 176.95 176.77 3ibu s THR 193 N -0.98 0.08 0.01 2.01 -1.32 0.28 -0.83 115.64 114.89 3ibu s THR 193 Ca 0.14 -0.66 -0.28 0.00 -1.21 0.00 0.00 61.69 59.68 3ibu s THR 193 Cb -0.10 -0.29 0.10 0.00 -1.51 0.00 0.00 72.50 70.69 3ibu s THR 193 CO 0.06 -0.36 0.82 -0.72 -2.21 0.00 0.00 174.62 172.20 3ibu s TYR 194 N -1.15 -0.41 -0.08 9.09 -0.85 -1.01 -1.37 117.35 121.58 3ibu s TYR 194 Ca -0.13 0.35 -0.28 0.00 -0.52 0.00 0.00 57.07 56.49 3ibu s TYR 194 Cb -0.07 0.53 -0.02 0.00 0.38 0.00 0.00 41.96 42.77 3ibu s TYR 194 CO 0.00 -0.60 0.92 -1.25 -1.52 0.00 0.00 175.55 173.10 3ibu s PRO 195 N -2.92 4.45 0.00 -3.49 0.04 -1.26 -1.11 135.00 130.71 3ibu s PRO 195 Ca 0.02 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.32 3ibu s PRO 195 Cb -0.01 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 31.03 3ibu s PRO 195 CO -0.07 -0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.21 3ibu n GLY 196 N 3.09 4.98 3.31 0.56 0.00 0.13 -4.82 105.19 112.43 3ibu n GLY 196 Ca 0.05 -0.91 -0.20 0.00 0.00 0.00 0.00 46.02 44.96 3ibu n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ibu s SER 197 N 1.26 1.83 0.47 1.61 1.04 -1.08 -2.45 113.70 116.37 3ibu s SER 197 Ca 0.00 -1.76 -0.22 0.00 0.48 0.00 0.00 55.95 54.45 3ibu s SER 197 Cb 0.00 0.56 -0.08 0.00 0.10 0.00 0.00 66.02 66.61 3ibu s SER 197 CO 0.00 -1.06 1.10 -0.76 0.98 0.00 0.00 173.24 173.50 3ibu s LEU 198 N -3.40 3.94 0.00 2.42 1.43 -0.43 -4.47 118.68 118.16 3ibu s LEU 198 Ca 0.39 2.12 0.25 0.00 -1.03 0.00 0.00 54.13 55.86 3ibu s LEU 198 Cb 0.02 -4.38 0.66 0.00 0.03 0.00 0.00 46.19 42.52 3ibu s LEU 198 CO 0.27 -0.85 1.52 0.35 0.23 0.00 0.00 176.35 177.87 3ibu n THR 199 N -0.69 0.07 -4.30 5.49 -2.24 -1.26 -4.39 114.28 106.96 3ibu n THR 199 Ca 0.08 -0.39 -0.21 0.00 -2.27 0.00 0.00 64.05 61.26 3ibu n THR 199 Cb 0.50 0.87 -0.11 0.00 -2.10 0.00 0.00 70.33 69.49 3ibu n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3ibu s THR 200 N -1.93 1.65 0.51 4.28 -4.23 -1.26 -4.71 115.64 109.95 3ibu s THR 200 Ca 0.34 -1.82 -0.21 0.00 -1.18 0.00 0.00 61.69 58.82 3ibu s THR 200 Cb 0.20 -1.72 -0.08 0.00 1.34 0.00 0.00 72.50 72.25 3ibu s THR 200 CO 0.31 -0.33 0.95 -2.65 -0.54 0.00 0.00 174.62 172.36 3ibu n PRO 201 N 0.43 1.09 0.00 3.99 -0.02 -1.26 -0.24 135.00 139.00 3ibu n PRO 201 Ca -0.14 0.41 0.02 0.00 -2.02 0.00 0.00 63.50 61.76 3ibu n PRO 201 Cb 0.57 -2.08 0.09 0.00 -0.02 0.00 0.00 33.50 32.06 3ibu n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3ibu n PRO 202 N -0.37 0.69 -2.88 0.52 -0.04 -1.26 -4.99 135.00 126.68 3ibu n PRO 202 Ca 0.11 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.37 3ibu n PRO 202 Cb 0.44 -1.07 0.01 0.00 -0.04 0.00 0.00 33.50 32.83 3ibu n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3ibu n LEU 203 N -0.57 -1.88 -4.76 1.53 4.77 0.67 -4.90 117.00 111.86 3ibu n LEU 203 Ca 0.02 -0.15 -0.41 0.00 -0.03 0.00 0.00 56.01 55.44 3ibu n LEU 203 Cb 0.01 -2.54 -0.01 0.00 -2.33 0.00 0.00 43.42 38.55 3ibu n LEU 203 CO 0.02 0.05 1.18 -0.76 -1.33 0.00 0.00 177.39 176.55 3ibu s LEU 204 N -6.27 4.35 -1.26 2.23 1.43 -1.26 -4.37 118.68 113.54 3ibu s LEU 204 Ca 0.21 2.89 -0.10 0.00 -1.03 0.00 0.00 54.13 56.10 3ibu s LEU 204 Cb -0.10 -3.64 0.17 0.00 0.03 0.00 0.00 46.19 42.65 3ibu s LEU 204 CO 0.26 -0.83 1.78 -0.62 0.23 0.00 0.00 176.35 177.16 3ibu n GLU 205 N 1.80 3.61 0.00 1.70 1.02 -1.26 -1.32 120.64 126.18 3ibu n GLU 205 Ca 0.06 -3.62 0.00 0.00 -0.02 0.00 0.00 57.16 53.58 3ibu n GLU 205 Cb 0.39 -2.93 0.00 0.00 -0.02 0.00 0.00 31.44 28.88 3ibu n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ibu s VAL 207 N -0.58 4.85 -0.37 0.00 1.01 -1.03 -0.79 120.40 123.50 3ibu s VAL 207 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 61.98 61.82 3ibu s VAL 207 Cb 0.00 -3.16 -0.00 0.00 0.00 0.00 0.00 36.38 33.22 3ibu s VAL 207 CO 0.00 0.50 0.29 -0.89 0.00 0.00 0.00 175.10 175.00 3ibu s THR 208 N -0.02 5.25 -0.00 3.92 2.01 -0.24 0.18 115.64 126.73 3ibu s THR 208 Ca 0.06 -0.31 -0.21 0.00 0.31 0.00 0.00 61.69 61.54 3ibu s THR 208 Cb -0.12 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 3ibu s THR 208 CO 0.01 -0.13 0.62 0.26 -0.69 0.00 0.00 174.62 174.68 3ibu s TRP 209 N 1.78 3.68 -0.27 4.92 0.52 -0.27 -2.23 118.94 127.07 3ibu s TRP 209 Ca 0.07 1.23 -0.00 0.00 0.02 0.00 0.00 56.10 57.41 3ibu s TRP 209 Cb -0.18 -2.64 0.08 0.00 -1.15 0.00 0.00 33.47 29.59 3ibu s TRP 209 CO 0.11 0.33 0.04 0.42 0.02 0.00 0.00 176.95 177.87 3ibu s ILE 210 N -0.13 1.14 -0.27 2.03 1.01 -0.65 -2.39 121.20 121.94 3ibu s ILE 210 Ca 0.32 -1.29 -0.06 0.00 0.00 0.00 0.00 60.65 59.62 3ibu s ILE 210 Cb -0.18 -1.69 -0.00 0.00 0.01 0.00 0.00 42.46 40.59 3ibu s ILE 210 CO 0.18 -0.42 0.06 -0.69 0.00 0.00 0.00 174.94 174.07 3ibu s VAL 211 N 1.52 3.96 0.30 2.92 1.01 -0.01 -0.21 120.40 129.90 3ibu s VAL 211 Ca 0.03 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 3ibu s VAL 211 Cb -0.18 -2.95 -0.10 0.00 0.00 0.00 0.00 36.38 33.15 3ibu s VAL 211 CO -0.15 0.21 1.22 -0.76 0.00 0.00 0.00 175.10 175.62 3ibu s LEU 212 N 1.53 4.48 0.12 3.92 1.43 -0.31 -0.96 118.68 128.89 3ibu s LEU 212 Ca 0.04 2.50 -0.09 0.00 -1.03 0.00 0.00 54.13 55.54 3ibu s LEU 212 Cb -0.16 -3.64 -0.10 0.00 0.03 0.00 0.00 46.19 42.32 3ibu s LEU 212 CO 0.02 -0.37 1.33 0.50 0.23 0.00 0.00 176.35 178.06 3ibu h LYS 213 N 3.69 0.67 -5.93 1.70 3.64 -1.55 -3.42 116.57 115.37 3ibu h LYS 213 Ca -0.48 -0.56 -0.58 0.00 -1.27 0.00 0.00 60.65 57.75 3ibu h LYS 213 Cb 1.22 0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 33.09 3ibu h LYS 213 CO 0.67 1.18 0.55 -2.00 -2.27 0.00 0.00 179.45 177.58 3ibu s GLU 214 N -3.66 4.24 0.62 1.90 2.12 -1.26 -5.00 118.70 117.67 3ibu s GLU 214 Ca -0.09 1.10 -0.10 0.00 0.36 0.00 0.00 54.97 56.25 3ibu s GLU 214 Cb 0.09 -3.62 -0.02 0.00 0.26 0.00 0.00 34.13 30.84 3ibu s GLU 214 CO 0.89 -0.49 1.00 -1.25 -0.54 0.00 0.00 175.26 174.87 3ibu s PRO 215 N 2.73 3.29 0.11 4.30 0.04 -1.26 -4.65 135.00 139.56 3ibu s PRO 215 Ca 0.39 0.50 0.03 0.00 0.04 0.00 0.00 61.00 61.96 3ibu s PRO 215 Cb -0.16 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 3ibu s PRO 215 CO 0.09 -0.68 0.18 0.96 0.04 0.00 0.00 177.00 177.59 3ibu s ILE 216 N -3.16 4.95 -0.14 0.56 -4.36 0.08 -4.89 121.20 114.24 3ibu s ILE 216 Ca 0.55 -0.72 -0.08 0.00 -0.26 0.00 0.00 60.65 60.14 3ibu s ILE 216 Cb -0.11 -3.47 -0.04 0.00 1.25 0.00 0.00 42.46 40.09 3ibu s ILE 216 CO 0.51 0.02 0.14 -0.44 0.24 0.00 0.00 174.94 175.41 3ibu s SER 217 N -2.81 6.35 0.14 4.36 0.01 -1.26 -1.51 113.70 118.96 3ibu s SER 217 Ca 0.33 0.41 0.06 0.00 1.31 0.00 0.00 55.95 58.06 3ibu s SER 217 Cb -0.12 -2.08 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 3ibu s SER 217 CO 0.26 0.35 -0.14 0.68 0.41 0.00 0.00 173.24 174.80 3ibu s VAL 218 N -0.66 1.37 0.55 3.43 -7.23 -0.20 -3.27 120.40 114.40 3ibu s VAL 218 Ca 0.13 -1.83 -0.09 0.00 -1.81 0.00 0.00 61.98 58.38 3ibu s VAL 218 Cb -0.12 -1.64 -0.04 0.00 0.56 0.00 0.00 36.38 35.14 3ibu s VAL 218 CO 0.03 -0.48 0.93 -0.94 -0.31 0.00 0.00 175.10 174.32 3ibu s SER 219 N -2.66 6.27 0.26 4.85 1.04 -1.16 -0.34 113.70 121.96 3ibu s SER 219 Ca 0.12 1.23 -0.03 0.00 0.48 0.00 0.00 55.95 57.75 3ibu s SER 219 Cb -0.03 -2.38 0.37 0.00 0.10 0.00 0.00 66.02 64.08 3ibu s SER 219 CO 0.03 -0.73 1.90 -1.28 0.98 0.00 0.00 173.24 174.14 3ibu h SER 220 N 0.01 1.07 -0.73 7.02 0.87 -1.92 -1.78 113.55 118.08 3ibu h SER 220 Ca -0.45 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.08 3ibu h SER 220 Cb 1.20 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.89 3ibu h SER 220 CO 0.62 0.71 0.36 -0.33 -0.53 0.00 0.00 176.83 177.66 3ibu h GLU 221 N 1.23 1.07 -0.23 2.24 3.07 -1.95 -0.42 114.58 119.59 3ibu h GLU 221 Ca 0.42 -0.15 -0.03 0.00 -0.50 0.00 0.00 59.36 59.10 3ibu h GLU 221 Cb 0.08 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 3ibu h GLU 221 CO -0.15 0.82 0.03 1.96 -1.40 0.00 0.00 179.01 180.28 3ibu h GLN 222 N 1.06 0.38 -0.02 2.33 4.20 -1.71 -2.75 115.11 118.59 3ibu h GLN 222 Ca 0.26 -0.10 -0.12 0.00 0.06 0.00 0.00 58.65 58.74 3ibu h GLN 222 Cb 0.11 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 3ibu h GLN 222 CO -0.03 0.52 -0.56 -0.24 -0.67 0.00 0.00 178.83 177.85 3ibu h VAL 223 N 0.17 1.39 -0.13 -0.54 3.04 -1.27 -2.67 116.25 116.25 3ibu h VAL 223 Ca 0.07 -1.92 -0.02 0.00 -1.01 0.00 0.00 66.70 63.83 3ibu h VAL 223 Cb 0.33 2.01 -0.01 0.00 -2.01 0.00 0.00 31.29 31.61 3ibu h VAL 223 CO 0.01 0.55 0.00 -0.07 -1.01 0.00 0.00 177.57 177.05 3ibu h LEU 224 N 0.06 0.16 -0.57 3.16 3.38 -0.96 -1.10 115.31 119.44 3ibu h LEU 224 Ca -0.00 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 3ibu h LEU 224 Cb 1.01 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3ibu h LEU 224 CO 0.08 0.19 -0.70 0.11 0.09 0.00 0.00 178.44 178.21 3ibu h LYS 225 N 0.18 0.00 -0.79 1.13 1.57 -1.18 -2.68 116.57 114.79 3ibu h LYS 225 Ca 0.04 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3ibu h LYS 225 Cb 0.12 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 3ibu h LYS 225 CO 0.00 0.70 0.48 0.74 -0.57 0.00 0.00 179.45 180.80 3ibu h PHE 226 N 0.00 1.05 0.00 -1.35 -1.00 -1.11 -2.13 116.94 112.39 3ibu h PHE 226 Ca -0.01 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.77 3ibu h PHE 226 Cb 1.26 -0.34 0.00 0.00 3.61 0.00 0.00 35.95 40.47 3ibu h PHE 226 CO 0.00 0.70 0.00 0.54 -1.61 0.00 0.00 178.31 177.94 3ibu n ARG 227 N -4.47 0.36 0.02 1.51 1.74 -0.88 -2.36 116.66 112.57 3ibu n ARG 227 Ca 0.08 0.08 0.12 0.00 -0.77 0.00 0.00 57.85 57.35 3ibu n ARG 227 Cb 0.06 -1.50 0.15 0.00 -1.02 0.00 0.00 32.46 30.15 3ibu n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3ibu n LYS 228 N -1.18 0.13 -0.93 5.56 5.02 -0.80 -4.46 118.16 121.50 3ibu n LYS 228 Ca 0.10 0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 56.11 3ibu n LYS 228 Cb 0.11 -1.56 0.17 0.00 -0.02 0.00 0.00 35.03 33.73 3ibu n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ibu s LEU 229 N -3.47 2.16 0.05 -0.35 1.43 -1.00 -4.84 118.68 112.65 3ibu s LEU 229 Ca 0.08 1.71 0.09 0.00 -1.03 0.00 0.00 54.13 54.98 3ibu s LEU 229 Cb 0.16 -4.03 -0.03 0.00 0.03 0.00 0.00 46.19 42.32 3ibu s LEU 229 CO 0.74 -3.06 -0.26 0.20 0.23 0.00 0.00 176.35 174.20 3ibu s ASN 230 N -3.02 3.12 0.09 2.29 0.02 0.80 -0.34 114.94 117.90 3ibu s ASN 230 Ca 0.65 -0.59 -0.01 0.00 -1.02 0.00 0.00 52.86 51.90 3ibu s ASN 230 Cb -0.21 -0.28 -0.26 0.00 0.02 0.00 0.00 41.25 40.52 3ibu s ASN 230 CO 0.59 0.25 1.18 -0.26 0.02 0.00 0.00 177.10 178.88 3ibu h PHE 231 N 4.78 0.33 -4.34 2.20 0.05 -1.42 -3.35 116.94 115.19 3ibu h PHE 231 Ca -0.46 -0.24 -0.49 0.00 3.82 0.00 0.00 57.97 60.60 3ibu h PHE 231 Cb 1.14 -0.01 0.10 0.00 2.00 0.00 0.00 35.95 39.18 3ibu h PHE 231 CO 0.48 1.19 0.36 0.54 -0.18 0.00 0.00 178.31 180.70 3ibu s ASN 232 N -7.00 4.80 0.65 2.17 4.22 -1.26 -4.40 114.94 114.13 3ibu s ASN 232 Ca -0.02 1.28 -0.02 0.00 -2.14 0.00 0.00 52.86 51.96 3ibu s ASN 232 Cb 0.08 -2.04 0.07 0.00 1.28 0.00 0.00 41.25 40.64 3ibu s ASN 232 CO 0.86 -1.77 0.92 -0.83 -2.04 0.00 0.00 177.10 174.24 3ibu s GLY 233 N -4.02 1.77 0.33 0.45 0.00 -1.26 -0.88 107.32 103.70 3ibu s GLY 233 Ca 0.60 -1.31 -0.29 0.00 0.00 0.00 0.00 44.72 43.72 3ibu s GLY 233 CO 0.54 -0.90 1.55 -2.21 0.00 0.00 0.00 173.10 172.08 3ibu n GLU 234 N -2.69 2.68 -0.91 2.90 2.13 -1.26 -2.42 120.64 121.08 3ibu n GLU 234 Ca 0.10 0.95 0.00 0.00 0.66 0.00 0.00 57.16 58.87 3ibu n GLU 234 Cb 0.60 -2.71 0.00 0.00 0.27 0.00 0.00 31.44 29.60 3ibu n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ibu n GLY 235 N 1.50 0.67 3.70 8.31 0.00 -1.26 -5.04 105.19 113.07 3ibu n GLY 235 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 3ibu n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ibu s GLU 236 N -0.09 2.43 0.24 1.61 2.02 -1.01 -5.07 118.70 118.83 3ibu s GLU 236 Ca 0.00 -1.39 -0.31 0.00 0.02 0.00 0.00 54.97 53.29 3ibu s GLU 236 Cb 0.00 -2.24 -0.13 0.00 0.10 0.00 0.00 34.13 31.86 3ibu s GLU 236 CO 0.00 0.30 1.39 -2.30 0.02 0.00 0.00 175.26 174.67 3ibu n PRO 237 N -1.02 2.00 -2.31 0.39 -0.02 -1.26 -4.88 135.00 127.90 3ibu n PRO 237 Ca -0.06 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 61.71 3ibu n PRO 237 Cb 0.59 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 3ibu n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3ibu s GLU 238 N -0.45 4.33 -0.26 -0.52 2.12 -1.26 -4.76 118.70 117.90 3ibu s GLU 238 Ca 0.68 1.87 -0.01 0.00 0.36 0.00 0.00 54.97 57.87 3ibu s GLU 238 Cb -0.66 -3.49 0.08 0.00 0.26 0.00 0.00 34.13 30.33 3ibu s GLU 238 CO 0.50 -0.47 0.05 -2.00 -0.54 0.00 0.00 175.26 172.80 3ibu s GLU 239 N 1.95 0.90 0.31 4.30 2.56 -1.26 -5.06 118.70 122.39 3ibu s GLU 239 Ca 0.61 -0.89 -0.29 0.00 0.00 0.00 0.00 54.97 54.40 3ibu s GLU 239 Cb -0.30 -2.19 -0.12 0.00 2.00 0.00 0.00 34.13 33.52 3ibu s GLU 239 CO 0.26 -0.81 1.37 1.28 -0.56 0.00 0.00 175.26 176.81 3ibu n LEU 240 N 4.85 3.59 -4.56 2.70 4.77 -1.26 -1.22 117.00 125.87 3ibu n LEU 240 Ca -0.06 1.18 -0.41 0.00 -0.03 0.00 0.00 56.01 56.69 3ibu n LEU 240 Cb 0.44 -1.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.01 3ibu n LEU 240 CO 0.13 -0.37 1.43 -0.32 -1.33 0.00 0.00 177.39 176.93 3ibu s MET 241 N -1.29 3.52 0.05 3.23 -2.45 0.54 -4.60 119.30 118.30 3ibu s MET 241 Ca 0.60 -0.97 -0.04 0.00 -1.25 0.00 0.00 55.69 54.03 3ibu s MET 241 Cb -0.58 -5.15 -0.02 0.00 1.25 0.00 0.00 34.83 30.33 3ibu s MET 241 CO 0.57 -2.20 0.07 0.14 1.05 0.00 0.00 175.02 174.64 3ibu s VAL 242 N 5.12 0.16 -1.35 10.11 -7.23 -1.26 -4.47 120.40 121.47 3ibu s VAL 242 Ca 0.44 -1.30 -0.05 0.00 -1.81 0.00 0.00 61.98 59.26 3ibu s VAL 242 Cb -0.01 -1.10 0.02 0.00 0.56 0.00 0.00 36.38 35.85 3ibu s VAL 242 CO -0.06 -0.72 0.90 0.47 -0.31 0.00 0.00 175.10 175.38 3ibu n ASP 243 N 0.50 -2.99 -2.68 4.85 10.43 0.39 -4.84 116.55 122.22 3ibu n ASP 243 Ca -0.17 -0.73 -0.33 0.00 2.57 0.00 0.00 54.79 56.13 3ibu n ASP 243 Cb 0.60 -4.35 -0.01 0.00 1.84 0.00 0.00 41.12 39.19 3ibu n ASP 243 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 3ibu n ASN 244 N -3.01 6.98 -4.31 -2.24 6.94 -1.02 -4.91 115.26 113.69 3ibu n ASN 244 Ca -0.17 -3.50 -0.28 0.00 -0.02 0.00 0.00 54.58 50.61 3ibu n ASN 244 Cb 0.62 -1.15 -0.14 0.00 -2.36 0.00 0.00 39.78 36.75 3ibu n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 3ibu s TRP 245 N -2.83 2.07 -0.07 -2.53 1.48 -1.26 -4.59 118.94 111.21 3ibu s TRP 245 Ca 0.56 -0.39 -0.12 0.00 -1.06 0.00 0.00 56.10 55.08 3ibu s TRP 245 Cb 0.41 -1.22 -0.05 0.00 -1.16 0.00 0.00 33.47 31.45 3ibu s TRP 245 CO -0.31 0.14 0.31 0.50 -4.06 0.00 0.00 176.95 173.53 3ibu s ARG 246 N -1.35 3.86 0.91 3.25 3.52 -1.26 -4.98 118.95 122.91 3ibu s ARG 246 Ca 0.10 0.20 -0.12 0.00 -0.13 0.00 0.00 55.73 55.77 3ibu s ARG 246 Cb -0.09 -3.26 0.14 0.00 -1.56 0.00 0.00 34.95 30.17 3ibu s ARG 246 CO 0.02 0.61 1.12 -1.25 -0.81 0.00 0.00 175.30 174.99 3ibu s PRO 247 N -0.70 1.14 0.41 5.12 0.04 -1.26 -4.60 135.00 135.15 3ibu s PRO 247 Ca 0.20 0.42 -0.27 0.00 0.04 0.00 0.00 61.00 61.39 3ibu s PRO 247 Cb -0.15 -1.83 -0.10 0.00 0.04 0.00 0.00 34.50 32.47 3ibu s PRO 247 CO 0.09 -2.22 1.42 0.00 0.04 0.00 0.00 177.00 176.33 3ibu n ALA 248 N -3.80 2.00 -2.55 8.56 0.00 -1.26 -4.31 120.51 119.15 3ibu n ALA 248 Ca 0.06 0.30 -0.23 0.00 0.00 0.00 0.00 53.44 53.57 3ibu n ALA 248 Cb 0.58 -2.37 -0.06 0.00 0.00 0.00 0.00 19.45 17.60 3ibu n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3ibu s GLN 249 N -2.22 2.44 0.21 0.00 -1.52 0.70 -4.94 119.66 114.33 3ibu s GLN 249 Ca 0.57 -1.47 -0.32 0.00 -1.95 0.00 0.00 55.36 52.19 3ibu s GLN 249 Cb -0.48 -2.23 -0.13 0.00 -0.22 0.00 0.00 33.01 29.95 3ibu s GLN 249 CO 0.61 0.15 1.57 -2.30 -0.25 0.00 0.00 175.29 175.07 3ibu n PRO 250 N -1.15 2.35 0.16 2.91 -0.02 -1.26 -4.58 135.00 133.41 3ibu n PRO 250 Ca -0.04 0.84 0.01 0.00 -2.02 0.00 0.00 63.50 62.30 3ibu n PRO 250 Cb 0.61 -2.61 0.29 0.00 -0.02 0.00 0.00 33.50 31.77 3ibu n PRO 250 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ibu h LEU 251 N 5.51 0.05 0.00 2.45 5.85 -1.95 -3.43 115.31 123.80 3ibu h LEU 251 Ca -0.45 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3ibu h LEU 251 Cb 1.24 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.26 3ibu h LEU 251 CO 0.86 0.48 0.00 0.29 -0.34 0.00 0.00 178.44 179.73 3ibu n LYS 252 N -4.02 0.00 -1.51 1.25 5.02 -1.26 -3.19 118.16 114.45 3ibu n LYS 252 Ca -0.02 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.88 3ibu n LYS 252 Cb 0.47 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.46 3ibu n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3ibu n ASN 253 N -0.58 8.12 -4.08 4.39 5.15 -1.26 -4.88 115.26 122.12 3ibu n ASN 253 Ca 0.00 -2.73 -0.09 0.00 -0.60 0.00 0.00 54.58 51.17 3ibu n ASN 253 Cb 0.00 -1.52 -0.10 0.00 -0.53 0.00 0.00 39.78 37.62 3ibu n ASN 253 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3ibu s ARG 254 N 1.52 0.57 -0.02 1.20 0.52 -1.19 -5.10 118.95 116.44 3ibu s ARG 254 Ca 0.64 -1.05 0.04 0.00 -0.52 0.00 0.00 55.73 54.84 3ibu s ARG 254 Cb 0.18 0.06 -0.00 0.00 0.52 0.00 0.00 34.95 35.70 3ibu s ARG 254 CO -0.07 -0.06 -0.14 -0.65 0.02 0.00 0.00 175.30 174.40 3ibu s GLN 255 N -3.06 1.29 -0.15 3.54 -0.21 -1.26 -5.05 119.66 114.76 3ibu s GLN 255 Ca 0.01 -0.49 -0.15 0.00 0.02 0.00 0.00 55.36 54.75 3ibu s GLN 255 Cb 0.01 -1.19 -0.04 0.00 1.00 0.00 0.00 33.01 32.79 3ibu s GLN 255 CO -0.06 0.24 0.34 0.42 -2.12 0.00 0.00 175.29 174.11 3ibu s ILE 256 N -0.09 5.28 -0.01 1.08 1.01 -1.26 -4.70 121.20 122.51 3ibu s ILE 256 Ca 0.01 0.64 0.01 0.00 0.00 0.00 0.00 60.65 61.30 3ibu s ILE 256 Cb -0.08 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 3ibu s ILE 256 CO 0.00 0.37 0.02 -0.54 0.00 0.00 0.00 174.94 174.79 3ibu s LYS 257 N 0.56 2.86 -0.01 2.79 -0.14 -0.47 -2.35 119.74 122.97 3ibu s LYS 257 Ca 0.19 -0.57 0.00 0.00 -1.36 0.00 0.00 55.97 54.23 3ibu s LYS 257 Cb -0.13 -2.72 -0.04 0.00 -1.68 0.00 0.00 37.83 33.26 3ibu s LYS 257 CO 0.05 0.64 0.03 0.00 -0.76 0.00 0.00 175.35 175.31 3ibu s ALA 258 N -1.10 3.41 -1.41 5.17 0.00 0.43 -0.56 121.76 127.70 3ibu s ALA 258 Ca 0.20 -0.90 0.26 0.00 0.00 0.00 0.00 51.96 51.52 3ibu s ALA 258 Cb -0.12 -1.45 0.76 0.00 0.00 0.00 0.00 23.12 22.31 3ibu s ALA 258 CO 0.10 0.66 1.57 -1.13 0.00 0.00 0.00 175.76 176.97 3ibu n SER 259 N 1.39 0.69 -4.37 0.00 3.41 -0.10 -1.24 113.62 113.40 3ibu n SER 259 Ca -0.14 -0.52 -0.25 0.00 -0.26 0.00 0.00 58.87 57.70 3ibu n SER 259 Cb 0.53 0.11 -0.12 0.00 -0.26 0.00 0.00 64.21 64.47 3ibu n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3ibu s PHE 260 N -2.71 2.05 -2.30 7.33 -0.71 -1.26 -4.90 117.98 115.48 3ibu s PHE 260 Ca 0.19 -0.41 0.30 0.00 -1.04 0.00 0.00 56.93 55.97 3ibu s PHE 260 Cb 0.19 -1.03 1.39 0.00 -1.21 0.00 0.00 43.02 42.36 3ibu s PHE 260 CO 0.58 0.40 1.94 1.63 -1.34 0.00 0.00 175.22 178.43