#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ibn s HIS 4 N 0.00 3.44 0.64 1.57 5.04 -1.26 -5.04 115.29 119.68 3ibn s HIS 4 Ca 0.00 1.36 -0.17 0.00 -1.54 0.00 0.00 55.06 54.71 3ibn s HIS 4 Cb 0.00 -2.70 -0.01 0.00 0.04 0.00 0.00 32.58 29.91 3ibn s HIS 4 CO 0.00 -0.26 1.18 1.67 -2.34 0.00 0.00 174.74 174.99 3ibn s TRP 5 N -2.50 2.36 0.00 3.88 1.48 -1.26 -4.85 118.94 118.05 3ibn s TRP 5 Ca 0.57 1.54 0.00 0.00 -1.06 0.00 0.00 56.10 57.15 3ibn s TRP 5 Cb -0.10 -3.41 0.00 0.00 -1.16 0.00 0.00 33.47 28.80 3ibn s TRP 5 CO 0.29 -2.18 0.00 0.41 -4.06 0.00 0.00 176.95 171.42 3ibn n GLY 6 N 0.27 3.44 0.08 3.67 0.00 0.22 -5.02 105.19 107.86 3ibn n GLY 6 Ca 0.13 -0.42 0.03 0.00 0.00 0.00 0.00 46.02 45.76 3ibn n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ibn n TYR 7 N 0.00 0.00 -2.00 1.61 4.02 -1.26 -3.84 117.16 115.69 3ibn n TYR 7 Ca 0.00 -0.51 -0.20 0.00 -0.01 0.00 0.00 57.90 57.18 3ibn n TYR 7 Cb 0.00 -0.07 0.13 0.00 -0.02 0.00 0.00 39.34 39.37 3ibn n TYR 7 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ibn n GLY 8 N -0.65 -0.59 0.21 2.72 0.00 -1.26 -4.69 105.19 100.93 3ibn n GLY 8 Ca 0.05 -1.82 0.04 0.00 0.00 0.00 0.00 46.02 44.29 3ibn n GLY 8 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ibn h LYS 9 N 0.00 0.01 -0.00 1.61 3.64 -1.98 -0.22 116.57 119.62 3ibn h LYS 9 Ca -0.29 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 3ibn h LYS 9 Cb 0.88 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 3ibn h LYS 9 CO 0.24 0.28 -0.61 0.72 -2.27 0.00 0.00 179.45 177.80 3ibn n HIS 10 N -4.22 0.00 -0.91 1.91 8.25 -1.26 -4.51 115.22 114.49 3ibn n HIS 10 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3ibn n HIS 10 Cb 0.32 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.44 3ibn n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3ibn n ASN 11 N -0.89 0.54 -2.74 0.41 6.94 -1.23 -4.92 115.26 113.38 3ibn n ASN 11 Ca 0.05 -1.43 -0.08 0.00 -0.02 0.00 0.00 54.58 53.10 3ibn n ASN 11 Cb 0.30 -0.04 0.06 0.00 -2.36 0.00 0.00 39.78 37.73 3ibn n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ibn n GLY 12 N -0.17 -2.37 0.42 4.83 0.00 -0.10 -0.61 105.19 107.20 3ibn n GLY 12 Ca 0.01 -1.49 0.24 0.00 0.00 0.00 0.00 46.02 44.78 3ibn n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ibn h PRO 13 N 0.00 0.32 0.00 1.61 0.11 -1.84 0.10 132.00 132.30 3ibn h PRO 13 Ca -0.11 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.98 3ibn h PRO 13 Cb 0.32 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.36 3ibn h PRO 13 CO 0.07 0.21 0.00 0.39 -0.21 0.00 0.00 178.00 178.46 3ibn n GLU 14 N -4.52 0.55 -0.03 1.05 -0.58 -1.26 -3.13 120.64 112.72 3ibn n GLU 14 Ca 0.23 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 57.01 3ibn n GLU 14 Cb 0.88 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 30.17 3ibn n GLU 14 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3ibn n HIS 15 N -1.13 0.00 -0.33 -0.32 8.25 0.33 -4.70 115.22 117.32 3ibn n HIS 15 Ca 0.15 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.77 3ibn n HIS 15 Cb 0.13 -0.37 0.40 0.00 1.12 0.00 0.00 29.99 31.26 3ibn n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3ibn h TRP 16 N 0.00 0.90 -0.79 4.41 6.55 -1.45 -2.03 115.95 123.54 3ibn h TRP 16 Ca -0.14 0.03 0.21 0.00 0.95 0.00 0.00 58.89 59.95 3ibn h TRP 16 Cb 1.06 -0.27 -0.04 0.00 -0.86 0.00 0.00 29.16 29.05 3ibn h TRP 16 CO 0.00 0.15 0.55 1.12 -1.05 0.00 0.00 178.44 179.22 3ibn h HIS 17 N 0.60 0.14 -0.17 0.49 2.07 -1.78 0.14 115.15 116.65 3ibn h HIS 17 Ca 0.58 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 58.11 3ibn h HIS 17 Cb 1.14 -0.04 -0.01 0.00 2.57 0.00 0.00 27.41 31.07 3ibn h HIS 17 CO -0.00 0.04 0.10 0.87 -3.07 0.00 0.00 177.93 175.87 3ibn h LYS 18 N 0.11 0.23 0.00 5.12 1.57 -1.72 -1.59 116.57 120.29 3ibn h LYS 18 Ca 0.38 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 3ibn h LYS 18 Cb 1.36 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3ibn h LYS 18 CO -0.05 0.19 -0.90 -0.44 -0.57 0.00 0.00 179.45 177.68 3ibn h ASP 19 N 0.20 0.00 -2.86 0.86 3.32 -1.58 -3.41 116.42 112.95 3ibn h ASP 19 Ca 0.06 -0.01 -0.60 0.00 0.02 0.00 0.00 57.03 56.50 3ibn h ASP 19 Cb 0.02 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.18 3ibn h ASP 19 CO -0.01 0.01 -0.82 -0.36 -1.72 0.00 0.00 179.24 176.33 3ibn s PHE 20 N -3.34 1.46 0.64 4.55 0.40 0.44 -4.98 117.98 117.14 3ibn s PHE 20 Ca 0.00 -2.21 0.38 0.00 -0.60 0.00 0.00 56.93 54.51 3ibn s PHE 20 Cb 0.09 -1.38 2.16 0.00 0.51 0.00 0.00 43.02 44.41 3ibn s PHE 20 CO 0.78 -0.79 2.30 -1.00 0.70 0.00 0.00 175.22 177.21 3ibn h PRO 21 N 6.42 0.00 0.00 0.24 0.13 -1.51 -1.39 132.00 135.89 3ibn h PRO 21 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3ibn h PRO 21 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3ibn h PRO 21 CO 0.40 0.00 0.00 0.97 -0.23 0.00 0.00 178.00 179.14 3ibn h ILE 22 N 0.00 0.00 -0.30 -3.56 6.09 -1.91 -2.46 117.51 115.37 3ibn h ILE 22 Ca 0.01 -0.03 0.09 0.00 -1.37 0.00 0.00 64.86 63.55 3ibn h ILE 22 Cb 0.07 0.79 -0.01 0.00 0.47 0.00 0.00 36.82 38.13 3ibn h ILE 22 CO -0.00 0.00 0.47 0.00 -3.07 0.00 0.00 178.15 175.55 3ibn h ALA 23 N 2.01 1.92 -0.30 0.18 0.00 -1.57 0.73 119.26 122.23 3ibn h ALA 23 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3ibn h ALA 23 Cb 0.04 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3ibn h ALA 23 CO 0.00 -0.63 -0.00 1.63 0.00 0.00 0.00 179.25 180.25 3ibn n LYS 24 N -3.39 2.55 -0.95 0.00 5.02 -0.92 -4.96 118.16 115.51 3ibn n LYS 24 Ca 0.05 -2.94 -0.23 0.00 -2.02 0.00 0.00 58.31 53.17 3ibn n LYS 24 Cb 0.61 -1.84 0.19 0.00 -0.02 0.00 0.00 35.03 33.97 3ibn n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ibn n GLY 25 N -0.73 -2.46 0.21 0.72 0.00 0.25 -4.99 105.19 98.20 3ibn n GLY 25 Ca 0.26 -1.53 0.11 0.00 0.00 0.00 0.00 46.02 44.86 3ibn n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ibn h GLU 26 N 0.00 0.00 -2.11 1.61 4.39 -1.96 -3.38 114.58 113.13 3ibn h GLU 26 Ca -0.32 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 58.85 3ibn h GLU 26 Cb 0.97 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.21 3ibn h GLU 26 CO 0.22 0.05 -0.97 2.89 -1.16 0.00 0.00 179.01 180.03 3ibn n ARG 27 N -3.11 1.84 -3.08 2.33 1.85 -1.26 -4.57 116.66 110.66 3ibn n ARG 27 Ca 0.04 -3.95 -0.28 0.00 -1.00 0.00 0.00 57.85 52.65 3ibn n ARG 27 Cb 0.54 -1.90 -0.02 0.00 -1.05 0.00 0.00 32.46 30.03 3ibn n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3ibn s GLN 28 N -2.76 3.64 0.17 2.89 -1.52 -1.26 -2.62 119.66 118.19 3ibn s GLN 28 Ca 0.43 0.13 0.08 0.00 -1.95 0.00 0.00 55.36 54.05 3ibn s GLN 28 Cb 0.31 -2.53 -0.04 0.00 -0.22 0.00 0.00 33.01 30.53 3ibn s GLN 28 CO -0.10 0.06 -0.17 -1.12 -0.25 0.00 0.00 175.29 173.70 3ibn s SER 29 N -3.45 2.60 0.90 5.90 0.01 -1.26 -4.62 113.70 113.78 3ibn s SER 29 Ca 0.46 -0.88 -0.09 0.00 1.31 0.00 0.00 55.95 56.75 3ibn s SER 29 Cb -0.10 -0.15 0.15 0.00 0.21 0.00 0.00 66.02 66.13 3ibn s SER 29 CO 0.34 -0.07 0.90 -0.81 0.41 0.00 0.00 173.24 174.01 3ibn n PRO 30 N 0.19 -0.65 -4.05 12.44 -0.04 -1.26 -4.55 135.00 137.08 3ibn n PRO 30 Ca -0.12 -1.64 -0.07 0.00 -0.04 0.00 0.00 63.50 61.63 3ibn n PRO 30 Cb 0.58 -0.85 -0.10 0.00 -0.04 0.00 0.00 33.50 33.09 3ibn n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3ibn s VAL 31 N -2.85 0.20 0.25 0.52 -7.23 -1.26 -0.20 120.40 109.84 3ibn s VAL 31 Ca 0.53 -1.67 -0.29 0.00 -1.81 0.00 0.00 61.98 58.73 3ibn s VAL 31 Cb -0.02 -1.42 -0.09 0.00 0.56 0.00 0.00 36.38 35.42 3ibn s VAL 31 CO 0.37 -0.92 0.93 -0.62 -0.31 0.00 0.00 175.10 174.54 3ibn s ASP 32 N -2.81 7.59 -0.48 4.85 3.68 -1.26 -3.41 116.67 124.83 3ibn s ASP 32 Ca 0.05 1.92 -0.14 0.00 2.13 0.00 0.00 52.55 56.51 3ibn s ASP 32 Cb 0.06 -2.60 0.09 0.00 -1.45 0.00 0.00 42.92 39.03 3ibn s ASP 32 CO -0.09 0.13 0.40 -0.63 0.13 0.00 0.00 175.17 175.11 3ibn s ILE 33 N -1.24 5.04 -0.73 4.11 1.01 0.29 -4.92 121.20 124.77 3ibn s ILE 33 Ca 0.42 -1.26 -0.26 0.00 0.00 0.00 0.00 60.65 59.54 3ibn s ILE 33 Cb -0.25 -4.10 0.04 0.00 0.01 0.00 0.00 42.46 38.16 3ibn s ILE 33 CO 0.31 -0.66 1.24 -0.62 0.00 0.00 0.00 174.94 175.21 3ibn s ASP 34 N 2.81 6.17 0.62 3.58 2.15 -1.26 -0.59 116.67 130.15 3ibn s ASP 34 Ca 0.04 -0.54 0.31 0.00 0.43 0.00 0.00 52.55 52.78 3ibn s ASP 34 Cb -0.26 -2.54 1.67 0.00 -0.30 0.00 0.00 42.92 41.49 3ibn s ASP 34 CO 0.05 -1.78 2.00 0.71 -0.17 0.00 0.00 175.17 175.98 3ibn h THR 35 N 6.03 0.23 0.00 1.71 1.35 -1.94 -1.35 112.91 118.95 3ibn h THR 35 Ca -0.27 0.00 -0.21 0.00 -0.55 0.00 0.00 66.41 65.38 3ibn h THR 35 Cb 1.05 0.73 -0.03 0.00 -1.73 0.00 0.00 68.15 68.17 3ibn h THR 35 CO 1.27 0.00 -1.29 0.45 -0.25 0.00 0.00 175.52 175.70 3ibn h HIS 36 N 0.00 0.00 0.00 4.73 3.86 -2.02 -3.34 115.15 118.38 3ibn h HIS 36 Ca 0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 3ibn h HIS 36 Cb 0.70 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.17 3ibn h HIS 36 CO 0.00 0.78 -0.98 2.41 0.86 0.00 0.00 177.93 181.00 3ibn n THR 37 N -3.08 0.35 -2.24 2.45 -1.04 -0.59 -4.88 114.28 105.25 3ibn n THR 37 Ca -0.08 -0.37 -0.41 0.00 -2.04 0.00 0.00 64.05 61.15 3ibn n THR 37 Cb 0.91 -0.07 -0.03 0.00 -1.82 0.00 0.00 70.33 69.32 3ibn n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ibn s ALA 38 N -3.27 3.47 -0.07 2.41 0.00 -0.71 -4.81 121.76 118.79 3ibn s ALA 38 Ca 0.02 1.13 0.03 0.00 0.00 0.00 0.00 51.96 53.14 3ibn s ALA 38 Cb 0.12 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 3ibn s ALA 38 CO 0.78 -0.48 -0.14 0.21 0.00 0.00 0.00 175.76 176.13 3ibn s LYS 39 N -1.47 2.77 0.21 0.00 2.20 -0.75 -4.81 119.74 117.89 3ibn s LYS 39 Ca 0.49 -0.70 -0.31 0.00 -0.36 0.00 0.00 55.97 55.08 3ibn s LYS 39 Cb -0.37 -2.45 -0.11 0.00 -1.51 0.00 0.00 37.83 33.39 3ibn s LYS 39 CO 0.47 0.49 1.65 -0.47 -0.36 0.00 0.00 175.35 177.14 3ibn s TYR 40 N -0.39 2.92 -0.32 4.03 6.14 -1.26 -0.02 117.35 128.45 3ibn s TYR 40 Ca 0.04 0.52 -0.02 0.00 0.64 0.00 0.00 57.07 58.24 3ibn s TYR 40 Cb -0.12 -4.06 0.06 0.00 0.42 0.00 0.00 41.96 38.25 3ibn s TYR 40 CO 0.02 -3.90 0.05 0.34 0.64 0.00 0.00 175.55 172.69 3ibn s ASP 41 N 1.02 5.00 0.46 4.32 3.68 0.11 -4.81 116.67 126.45 3ibn s ASP 41 Ca 0.71 -1.40 0.14 0.00 2.13 0.00 0.00 52.55 54.14 3ibn s ASP 41 Cb -0.48 -1.75 1.06 0.00 -1.45 0.00 0.00 42.92 40.31 3ibn s ASP 41 CO 0.35 -0.32 2.03 -0.65 0.13 0.00 0.00 175.17 176.72 3ibn h PRO 42 N 8.02 0.03 0.00 4.34 0.11 -1.93 -2.69 132.00 139.88 3ibn h PRO 42 Ca -0.20 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3ibn h PRO 42 Cb 1.06 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3ibn h PRO 42 CO 0.57 0.15 0.00 0.45 -0.21 0.00 0.00 178.00 178.95 3ibn n SER 43 N -4.38 0.00 -4.70 -2.05 2.88 -1.26 -4.75 113.62 99.37 3ibn n SER 43 Ca -0.02 0.42 -0.42 0.00 -1.33 0.00 0.00 58.87 57.52 3ibn n SER 43 Cb 0.20 -0.45 -0.03 0.00 -0.75 0.00 0.00 64.21 63.18 3ibn n SER 43 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3ibn s LEU 44 N -2.91 4.30 0.48 2.46 1.43 -1.02 -4.99 118.68 118.44 3ibn s LEU 44 Ca 0.05 1.69 -0.15 0.00 -1.03 0.00 0.00 54.13 54.69 3ibn s LEU 44 Cb 0.06 -3.56 -0.08 0.00 0.03 0.00 0.00 46.19 42.64 3ibn s LEU 44 CO 0.16 -0.45 0.93 -0.54 0.23 0.00 0.00 176.35 176.68 3ibn s LYS 45 N 1.73 3.93 0.44 1.70 1.02 -1.00 -4.88 119.74 122.68 3ibn s LYS 45 Ca 0.52 0.85 -0.25 0.00 0.02 0.00 0.00 55.97 57.11 3ibn s LYS 45 Cb -0.22 -2.20 -0.09 0.00 -0.52 0.00 0.00 37.83 34.80 3ibn s LYS 45 CO 0.23 -0.19 1.34 -0.35 -0.92 0.00 0.00 175.35 175.45 3ibn n PRO 46 N -1.42 2.05 -2.58 -1.68 -0.04 -1.26 0.06 135.00 130.12 3ibn n PRO 46 Ca 0.06 0.73 -0.41 0.00 -0.04 0.00 0.00 63.50 63.84 3ibn n PRO 46 Cb 0.54 -2.49 -0.05 0.00 -0.04 0.00 0.00 33.50 31.46 3ibn n PRO 46 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3ibn s LEU 47 N -2.14 4.55 -0.22 1.53 2.96 -1.26 -2.20 118.68 121.91 3ibn s LEU 47 Ca 0.61 2.08 0.01 0.00 -0.22 0.00 0.00 54.13 56.62 3ibn s LEU 47 Cb -0.48 -3.61 0.05 0.00 0.50 0.00 0.00 46.19 42.64 3ibn s LEU 47 CO 0.57 -0.09 -0.11 -0.55 -1.32 0.00 0.00 176.35 174.85 3ibn s SER 48 N -0.58 3.70 -0.35 3.68 0.15 0.43 -4.89 113.70 115.85 3ibn s SER 48 Ca 0.46 -1.03 -0.03 0.00 0.70 0.00 0.00 55.95 56.05 3ibn s SER 48 Cb -0.29 -1.36 0.07 0.00 -1.71 0.00 0.00 66.02 62.74 3ibn s SER 48 CO 0.35 -0.14 0.10 -0.69 1.20 0.00 0.00 173.24 174.06 3ibn s VAL 49 N 1.30 3.19 -0.61 4.45 1.01 -1.26 -1.01 120.40 127.47 3ibn s VAL 49 Ca -0.03 -1.65 -0.03 0.00 0.00 0.00 0.00 61.98 60.26 3ibn s VAL 49 Cb -0.17 -2.99 0.16 0.00 0.00 0.00 0.00 36.38 33.38 3ibn s VAL 49 CO -0.08 -0.37 0.43 -0.44 0.00 0.00 0.00 175.10 174.64 3ibn s SER 50 N 1.50 5.30 0.00 3.32 0.01 -0.49 -4.88 113.70 118.46 3ibn s SER 50 Ca 0.01 -2.75 0.17 0.00 1.31 0.00 0.00 55.95 54.69 3ibn s SER 50 Cb -0.21 -1.87 0.44 0.00 0.21 0.00 0.00 66.02 64.59 3ibn s SER 50 CO -0.02 -0.40 1.36 -1.22 0.41 0.00 0.00 173.24 173.37 3ibn n TYR 51 N 3.63 0.63 -0.14 2.43 0.53 -1.26 -1.72 117.16 121.26 3ibn n TYR 51 Ca 0.07 -0.43 0.10 0.00 -1.02 0.00 0.00 57.90 56.62 3ibn n TYR 51 Cb 0.38 -0.01 0.44 0.00 -1.03 0.00 0.00 39.34 39.13 3ibn n TYR 51 CO 0.00 0.00 0.00 0.38 -1.02 0.00 0.00 176.86 176.22 3ibn h ASP 52 N 3.22 0.49 -0.54 7.72 2.03 -1.89 -1.95 116.42 125.51 3ibn h ASP 52 Ca 0.00 0.01 -0.09 0.00 -0.73 0.00 0.00 57.03 56.22 3ibn h ASP 52 Cb 0.85 -0.09 -0.05 0.00 -0.83 0.00 0.00 39.33 39.20 3ibn h ASP 52 CO 0.00 0.30 0.09 0.00 -1.03 0.00 0.00 179.24 178.60 3ibn n GLN 53 N -4.48 3.79 -2.01 4.15 1.13 -1.26 -5.01 117.38 113.69 3ibn n GLN 53 Ca 0.11 -3.06 -0.41 0.00 -1.94 0.00 0.00 57.00 51.70 3ibn n GLN 53 Cb 0.35 -2.12 -0.02 0.00 0.11 0.00 0.00 30.24 28.56 3ibn n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3ibn s ALA 54 N -2.90 3.57 -0.34 -1.58 0.00 -0.73 -4.43 121.76 115.35 3ibn s ALA 54 Ca 0.51 1.35 0.02 0.00 0.00 0.00 0.00 51.96 53.84 3ibn s ALA 54 Cb 0.41 -3.54 0.10 0.00 0.00 0.00 0.00 23.12 20.09 3ibn s ALA 54 CO 0.12 -0.76 0.08 0.99 0.00 0.00 0.00 175.76 176.19 3ibn s THR 55 N -0.60 1.75 0.54 0.00 2.01 -1.26 -4.86 115.64 113.22 3ibn s THR 55 Ca 0.55 -2.05 -0.18 0.00 0.31 0.00 0.00 61.69 60.31 3ibn s THR 55 Cb -0.42 -2.30 -0.06 0.00 0.01 0.00 0.00 72.50 69.73 3ibn s THR 55 CO 0.50 -0.65 1.07 -0.94 -0.69 0.00 0.00 174.62 173.91 3ibn s SER 56 N 1.09 5.95 0.00 3.53 1.04 -1.26 -0.89 113.70 123.17 3ibn s SER 56 Ca 0.11 1.97 -0.03 0.00 0.48 0.00 0.00 55.95 58.48 3ibn s SER 56 Cb -0.19 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 63.36 3ibn s SER 56 CO -0.14 -1.05 -0.06 0.18 0.98 0.00 0.00 173.24 173.15 3ibn n LEU 57 N -1.43 0.79 -3.68 2.42 4.77 0.11 -4.02 117.00 115.95 3ibn n LEU 57 Ca 0.10 0.11 -0.09 0.00 -0.03 0.00 0.00 56.01 56.10 3ibn n LEU 57 Cb 0.52 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 3ibn n LEU 57 CO 0.43 -0.29 0.39 0.00 -1.33 0.00 0.00 177.39 176.59 3ibn s ARG 58 N -2.12 1.51 0.01 3.23 1.70 -1.23 -0.17 118.95 121.88 3ibn s ARG 58 Ca -0.06 -0.79 0.06 0.00 -0.47 0.00 0.00 55.73 54.47 3ibn s ARG 58 Cb 0.02 0.58 -0.03 0.00 -0.57 0.00 0.00 34.95 34.94 3ibn s ARG 58 CO 0.08 -0.67 -0.16 -1.50 -1.08 0.00 0.00 175.30 171.97 3ibn s ILE 59 N -3.85 2.91 0.01 4.99 2.07 0.09 -0.76 121.20 126.66 3ibn s ILE 59 Ca 0.07 -1.01 0.00 0.00 -1.41 0.00 0.00 60.65 58.31 3ibn s ILE 59 Cb -0.03 -2.20 -0.01 0.00 0.13 0.00 0.00 42.46 40.36 3ibn s ILE 59 CO -0.02 0.43 -0.02 -0.22 -1.91 0.00 0.00 174.94 173.20 3ibn s LEU 60 N -1.19 2.08 -0.44 8.50 2.96 0.18 -0.93 118.68 129.84 3ibn s LEU 60 Ca 0.14 -0.17 -0.14 0.00 -0.22 0.00 0.00 54.13 53.74 3ibn s LEU 60 Cb -0.11 -0.01 0.06 0.00 0.50 0.00 0.00 46.19 46.64 3ibn s LEU 60 CO 0.04 -0.08 0.34 0.21 -1.32 0.00 0.00 176.35 175.53 3ibn s ASN 61 N -0.48 5.99 -0.00 3.68 3.84 -0.40 -0.14 114.94 127.43 3ibn s ASN 61 Ca -0.05 -1.29 0.13 0.00 0.21 0.00 0.00 52.86 51.86 3ibn s ASN 61 Cb -0.03 -2.12 0.38 0.00 -0.55 0.00 0.00 41.25 38.92 3ibn s ASN 61 CO -0.00 -0.58 1.31 -0.46 -2.79 0.00 0.00 177.10 174.58 3ibn n ASN 62 N 5.11 2.30 0.00 -4.21 0.23 -0.74 0.10 115.26 118.06 3ibn n ASN 62 Ca -0.12 -2.01 0.00 0.00 -0.53 0.00 0.00 54.58 51.92 3ibn n ASN 62 Cb 0.44 -0.29 0.00 0.00 -2.08 0.00 0.00 39.78 37.85 3ibn n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ibn n GLY 63 N 1.15 1.00 0.15 4.83 0.00 -1.26 -4.76 105.19 106.30 3ibn n GLY 63 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3ibn n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ibn n HIS 64 N -2.00 0.00 -3.09 1.61 8.25 -1.26 -4.74 115.22 113.99 3ibn n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3ibn n HIS 64 Cb 0.00 0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.12 3ibn n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ibn n ALA 65 N -2.36 0.00 -2.47 -1.41 0.00 -1.26 -4.88 120.51 108.13 3ibn n ALA 65 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3ibn n ALA 65 Cb 0.39 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.69 3ibn n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3ibn s PHE 66 N -5.21 2.04 -0.12 0.00 -0.12 -1.26 -1.78 117.98 111.52 3ibn s PHE 66 Ca 0.00 -0.43 -0.01 0.00 -0.05 0.00 0.00 56.93 56.44 3ibn s PHE 66 Cb 0.00 -1.32 -0.02 0.00 -0.63 0.00 0.00 43.02 41.05 3ibn s PHE 66 CO 0.00 -0.07 -0.10 -0.80 -0.05 0.00 0.00 175.22 174.20 3ibn s ASN 67 N -0.43 4.28 -0.37 1.98 0.02 0.80 -4.23 114.94 116.99 3ibn s ASN 67 Ca 0.06 -0.23 -0.13 0.00 -1.02 0.00 0.00 52.86 51.54 3ibn s ASN 67 Cb -0.10 -1.52 0.00 0.00 0.02 0.00 0.00 41.25 39.66 3ibn s ASN 67 CO -0.00 0.21 0.25 -0.69 0.02 0.00 0.00 177.10 176.89 3ibn s VAL 68 N 0.10 5.14 0.00 1.60 1.01 -0.64 -0.65 120.40 126.97 3ibn s VAL 68 Ca -0.04 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 3ibn s VAL 68 Cb -0.14 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 3ibn s VAL 68 CO 0.04 -0.14 0.28 -1.61 0.00 0.00 0.00 175.10 173.68 3ibn s GLU 69 N 1.68 3.62 0.24 2.72 2.02 0.06 -1.99 118.70 127.05 3ibn s GLU 69 Ca 0.05 -0.01 0.11 0.00 0.02 0.00 0.00 54.97 55.14 3ibn s GLU 69 Cb -0.18 -3.09 -0.05 0.00 0.10 0.00 0.00 34.13 30.91 3ibn s GLU 69 CO 0.10 0.65 -0.13 -0.06 0.02 0.00 0.00 175.26 175.83 3ibn s PHE 70 N -1.27 2.47 -0.59 1.61 0.40 -0.16 0.06 117.98 120.49 3ibn s PHE 70 Ca 0.27 -0.28 -0.26 0.00 -0.60 0.00 0.00 56.93 56.05 3ibn s PHE 70 Cb -0.13 -1.13 0.04 0.00 0.51 0.00 0.00 43.02 42.31 3ibn s PHE 70 CO 0.15 0.62 1.08 0.34 0.70 0.00 0.00 175.22 178.11 3ibn s ASP 71 N -3.29 6.35 -0.34 1.36 -1.08 -0.07 -4.83 116.67 114.77 3ibn s ASP 71 Ca 0.28 -0.22 0.09 0.00 -0.52 0.00 0.00 52.55 52.18 3ibn s ASP 71 Cb -0.07 -2.49 0.68 0.00 -1.46 0.00 0.00 42.92 39.58 3ibn s ASP 71 CO 0.16 -1.40 1.76 -0.90 0.52 0.00 0.00 175.17 175.30 3ibn n ASP 72 N 8.06 4.12 0.14 -0.34 3.85 -1.26 -4.50 116.55 126.63 3ibn n ASP 72 Ca 0.04 -3.40 0.13 0.00 -0.71 0.00 0.00 54.79 50.86 3ibn n ASP 72 Cb 0.48 -0.74 0.41 0.00 -1.35 0.00 0.00 41.12 39.92 3ibn n ASP 72 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 3ibn h SER 73 N 1.91 0.00 -3.98 -1.12 4.64 -1.95 -3.45 113.55 109.59 3ibn h SER 73 Ca 0.34 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 61.27 3ibn h SER 73 Cb 2.31 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 64.26 3ibn h SER 73 CO 0.75 0.00 -0.63 -1.10 -0.87 0.00 0.00 176.83 174.98 3ibn s GLN 74 N -3.21 1.44 -1.11 4.77 -0.21 -1.26 -5.08 119.66 115.00 3ibn s GLN 74 Ca 0.08 -1.77 -0.18 0.00 0.02 0.00 0.00 55.36 53.52 3ibn s GLN 74 Cb 0.10 -0.53 0.12 0.00 1.00 0.00 0.00 33.01 33.70 3ibn s GLN 74 CO 0.56 -0.20 1.41 0.34 -2.12 0.00 0.00 175.29 175.28 3ibn s ASP 75 N -3.35 6.79 0.00 5.90 -1.08 -1.26 -4.78 116.67 118.89 3ibn s ASP 75 Ca 0.34 -2.32 0.00 0.00 -0.52 0.00 0.00 52.55 50.05 3ibn s ASP 75 Cb 0.07 -2.47 0.00 0.00 -1.46 0.00 0.00 42.92 39.07 3ibn s ASP 75 CO 0.12 -1.07 0.00 0.29 0.52 0.00 0.00 175.17 175.04 3ibn n LYS 76 N 7.06 0.00 -2.41 4.34 4.76 -1.26 -4.95 118.16 125.70 3ibn n LYS 76 Ca 0.35 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.36 3ibn n LYS 76 Cb 0.47 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.64 3ibn n LYS 76 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ibn s ALA 77 N -3.43 3.05 0.09 7.82 0.00 -1.26 -4.68 121.76 123.36 3ibn s ALA 77 Ca 0.00 -0.26 0.05 0.00 0.00 0.00 0.00 51.96 51.75 3ibn s ALA 77 Cb 0.00 -3.94 -0.03 0.00 0.00 0.00 0.00 23.12 19.15 3ibn s ALA 77 CO 0.00 -2.40 -0.13 0.14 0.00 0.00 0.00 175.76 173.37 3ibn s VAL 78 N 5.25 1.13 -0.11 0.00 -7.23 -0.70 -1.28 120.40 117.46 3ibn s VAL 78 Ca 0.58 -1.48 0.04 0.00 -1.81 0.00 0.00 61.98 59.31 3ibn s VAL 78 Cb -0.12 -1.24 0.00 0.00 0.56 0.00 0.00 36.38 35.58 3ibn s VAL 78 CO 0.32 -0.35 -0.23 -0.22 -0.31 0.00 0.00 175.10 174.31 3ibn s LEU 79 N -2.07 2.12 0.36 1.32 2.96 0.48 -1.39 118.68 122.46 3ibn s LEU 79 Ca 0.02 -0.56 -0.01 0.00 -0.22 0.00 0.00 54.13 53.37 3ibn s LEU 79 Cb -0.07 -1.42 0.00 0.00 0.50 0.00 0.00 46.19 45.20 3ibn s LEU 79 CO 0.02 0.15 0.48 -1.59 -1.32 0.00 0.00 176.35 174.09 3ibn s LYS 80 N 0.40 1.96 2.37 1.98 -2.85 -0.18 -1.72 119.74 121.70 3ibn s LYS 80 Ca -0.17 -1.82 0.00 0.00 -1.00 0.00 0.00 55.97 52.97 3ibn s LYS 80 Cb -0.18 0.44 0.00 0.00 -2.06 0.00 0.00 37.83 36.03 3ibn s LYS 80 CO 0.08 -0.81 0.00 0.41 0.10 0.00 0.00 175.35 175.12 3ibn n GLY 81 N -0.60 -0.52 7.00 0.59 0.00 -1.26 -0.42 105.19 109.98 3ibn n GLY 81 Ca 0.02 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.92 3ibn n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ibn n GLY 82 N 0.00 2.99 0.02 -0.02 0.00 0.11 -1.49 105.19 106.79 3ibn n GLY 82 Ca 0.00 -0.27 0.13 0.00 0.00 0.00 0.00 46.02 45.88 3ibn n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ibn n PRO 83 N 13.72 0.06 -2.46 1.61 -0.04 -1.26 -2.37 135.00 144.27 3ibn n PRO 83 Ca 0.00 0.03 -0.35 0.00 -0.04 0.00 0.00 63.50 63.14 3ibn n PRO 83 Cb 0.00 -1.55 -0.03 0.00 -0.04 0.00 0.00 33.50 31.89 3ibn n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ibn s LEU 84 N -3.29 3.89 -0.15 1.53 1.43 -0.56 -5.05 118.68 116.49 3ibn s LEU 84 Ca 0.11 2.04 0.02 0.00 -1.03 0.00 0.00 54.13 55.27 3ibn s LEU 84 Cb 0.17 -4.47 0.01 0.00 0.03 0.00 0.00 46.19 41.93 3ibn s LEU 84 CO 0.64 -0.84 -0.20 -0.62 0.23 0.00 0.00 176.35 175.57 3ibn s ASP 85 N -1.80 3.29 0.00 2.29 -1.08 -1.26 -4.32 116.67 113.80 3ibn s ASP 85 Ca 0.66 -0.56 0.00 0.00 -0.52 0.00 0.00 52.55 52.13 3ibn s ASP 85 Cb -0.20 -1.49 0.00 0.00 -1.46 0.00 0.00 42.92 39.77 3ibn s ASP 85 CO 0.24 0.08 0.00 0.61 0.52 0.00 0.00 175.17 176.62 3ibn n GLY 86 N 4.08 -1.61 3.57 2.66 0.00 -1.26 -4.90 105.19 107.72 3ibn n GLY 86 Ca -0.20 -1.43 -0.34 0.00 0.00 0.00 0.00 46.02 44.05 3ibn n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ibn s THR 87 N 0.00 3.79 -0.09 2.61 2.01 -1.26 -4.49 115.64 118.21 3ibn s THR 87 Ca 0.00 -0.43 0.04 0.00 0.31 0.00 0.00 61.69 61.61 3ibn s THR 87 Cb 0.00 -2.58 -0.01 0.00 0.01 0.00 0.00 72.50 69.92 3ibn s THR 87 CO 0.00 0.57 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.98 3ibn s TYR 88 N -0.50 2.59 -0.17 4.92 2.02 -0.70 -1.34 117.35 124.17 3ibn s TYR 88 Ca 0.08 -0.78 -0.06 0.00 -0.37 0.00 0.00 57.07 55.93 3ibn s TYR 88 Cb -0.12 -1.70 -0.04 0.00 -0.40 0.00 0.00 41.96 39.71 3ibn s TYR 88 CO 0.02 -0.26 0.03 0.50 -1.57 0.00 0.00 175.55 174.27 3ibn s ARG 89 N 0.09 3.86 0.06 -0.62 3.52 -0.20 -0.38 118.95 125.28 3ibn s ARG 89 Ca -0.10 -0.41 -0.31 0.00 -0.13 0.00 0.00 55.73 54.79 3ibn s ARG 89 Cb -0.16 -3.11 -0.08 0.00 -1.56 0.00 0.00 34.95 30.04 3ibn s ARG 89 CO 0.06 0.25 1.65 -1.17 -0.81 0.00 0.00 175.30 175.28 3ibn s LEU 90 N 0.40 4.36 -0.07 -0.88 2.96 -0.41 -1.55 118.68 123.49 3ibn s LEU 90 Ca 0.01 2.46 0.06 0.00 -0.22 0.00 0.00 54.13 56.43 3ibn s LEU 90 Cb -0.13 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.91 3ibn s LEU 90 CO 0.01 -0.89 0.03 0.00 -1.32 0.00 0.00 176.35 174.18 3ibn n ILE 91 N 4.79 0.47 -3.63 6.68 3.06 -0.19 -4.55 119.36 125.99 3ibn n ILE 91 Ca 0.16 -0.29 -0.01 0.00 -2.50 0.00 0.00 62.75 60.10 3ibn n ILE 91 Cb 0.41 -0.80 -0.01 0.00 0.54 0.00 0.00 39.64 39.78 3ibn n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3ibn s GLN 92 N -2.17 0.52 0.04 9.51 1.03 -1.21 -0.99 119.66 126.39 3ibn s GLN 92 Ca -0.03 -0.26 -0.03 0.00 0.04 0.00 0.00 55.36 55.07 3ibn s GLN 92 Cb 0.02 0.19 -0.02 0.00 0.03 0.00 0.00 33.01 33.24 3ibn s GLN 92 CO 0.28 -0.24 0.04 -0.59 -2.54 0.00 0.00 175.29 172.25 3ibn s PHE 93 N -2.60 0.28 0.38 9.60 -0.12 -0.84 -0.34 117.98 124.33 3ibn s PHE 93 Ca 0.12 -0.62 -0.09 0.00 -0.05 0.00 0.00 56.93 56.28 3ibn s PHE 93 Cb 0.02 -0.21 0.03 0.00 -0.63 0.00 0.00 43.02 42.24 3ibn s PHE 93 CO -0.04 -0.32 0.66 -3.38 -0.05 0.00 0.00 175.22 172.09 3ibn s HIS 94 N -2.58 0.58 0.18 3.49 -3.43 -0.75 -1.63 115.29 111.16 3ibn s HIS 94 Ca -0.05 -1.06 0.05 0.00 -0.80 0.00 0.00 55.06 53.19 3ibn s HIS 94 Cb -0.02 0.43 -0.05 0.00 -1.43 0.00 0.00 32.58 31.52 3ibn s HIS 94 CO -0.05 -1.41 -0.07 -0.06 -2.00 0.00 0.00 174.74 171.15 3ibn s PHE 95 N -2.51 1.41 -0.08 0.38 0.40 -1.26 -1.25 117.98 115.07 3ibn s PHE 95 Ca 0.23 -0.79 0.01 0.00 -0.60 0.00 0.00 56.93 55.78 3ibn s PHE 95 Cb -0.03 -0.75 0.02 0.00 0.51 0.00 0.00 43.02 42.77 3ibn s PHE 95 CO 0.16 0.07 -0.10 -1.01 0.70 0.00 0.00 175.22 175.05 3ibn s HIS 96 N -3.32 1.34 0.24 0.36 3.76 -0.44 -4.75 115.29 112.49 3ibn s HIS 96 Ca 0.21 -0.54 -0.06 0.00 -0.15 0.00 0.00 55.06 54.52 3ibn s HIS 96 Cb 0.03 -1.05 -0.02 0.00 1.11 0.00 0.00 32.58 32.65 3ibn s HIS 96 CO 0.04 -0.33 0.32 1.67 -0.85 0.00 0.00 174.74 175.59 3ibn s TRP 97 N 1.02 0.82 0.40 1.40 -2.14 -1.23 -0.45 118.94 118.77 3ibn s TRP 97 Ca -0.08 -1.09 0.04 0.00 2.66 0.00 0.00 56.10 57.62 3ibn s TRP 97 Cb -0.15 -0.19 0.04 0.00 -3.10 0.00 0.00 33.47 30.07 3ibn s TRP 97 CO -0.00 -0.85 0.31 0.41 -2.66 0.00 0.00 176.95 174.15 3ibn n GLY 98 N -0.36 2.80 0.09 3.67 0.00 -1.13 -1.01 105.19 109.24 3ibn n GLY 98 Ca 0.01 -2.26 0.12 0.00 0.00 0.00 0.00 46.02 43.89 3ibn n GLY 98 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ibn h SER 99 N 0.47 0.00 -5.12 1.61 4.64 -1.88 -3.38 113.55 109.89 3ibn h SER 99 Ca -0.25 -0.11 -0.13 0.00 -0.47 0.00 0.00 61.79 60.83 3ibn h SER 99 Cb 0.93 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 62.85 3ibn h SER 99 CO 0.40 0.05 -0.58 -0.76 -0.87 0.00 0.00 176.83 175.07 3ibn s LEU 100 N -4.44 2.01 0.57 5.97 1.43 -1.26 -5.05 118.68 117.91 3ibn s LEU 100 Ca 0.08 -0.66 0.25 0.00 -1.03 0.00 0.00 54.13 52.78 3ibn s LEU 100 Cb 0.13 0.46 1.60 0.00 0.03 0.00 0.00 46.19 48.41 3ibn s LEU 100 CO 0.66 -0.52 2.17 0.44 0.23 0.00 0.00 176.35 179.34 3ibn h ASP 101 N 3.60 0.00 0.00 2.29 3.45 -1.89 -2.51 116.42 121.35 3ibn h ASP 101 Ca -0.33 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.13 3ibn h ASP 101 Cb 1.18 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.95 3ibn h ASP 101 CO 0.54 0.00 0.00 0.61 -1.57 0.00 0.00 179.24 178.82 3ibn n GLY 102 N -1.42 -0.61 3.70 2.75 0.00 -1.26 -3.00 105.19 105.35 3ibn n GLY 102 Ca -0.01 -0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 3ibn n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ibn s GLN 103 N -2.00 1.62 0.00 1.61 -2.07 -0.95 -4.68 119.66 113.19 3ibn s GLN 103 Ca 0.29 -0.96 0.00 0.00 -1.82 0.00 0.00 55.36 52.86 3ibn s GLN 103 Cb 0.13 0.56 0.00 0.00 -1.09 0.00 0.00 33.01 32.62 3ibn s GLN 103 CO 0.22 -0.72 0.00 0.41 -1.32 0.00 0.00 175.29 173.89 3ibn n GLY 104 N -0.41 4.53 3.76 2.60 0.00 -1.15 -2.84 105.19 111.68 3ibn n GLY 104 Ca -0.06 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 3ibn n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ibn s SER 105 N 0.00 5.02 -0.21 1.61 1.04 -0.45 -3.48 113.70 117.23 3ibn s SER 105 Ca 0.00 2.16 -0.19 0.00 0.48 0.00 0.00 55.95 58.40 3ibn s SER 105 Cb 0.00 -2.57 -0.16 0.00 0.10 0.00 0.00 66.02 63.39 3ibn s SER 105 CO 0.00 -1.70 0.08 -0.62 0.98 0.00 0.00 173.24 171.99 3ibn n GLU 106 N -2.18 0.55 -2.17 4.02 1.02 -1.26 -4.82 120.64 115.80 3ibn n GLU 106 Ca 0.12 0.53 -0.32 0.00 -0.02 0.00 0.00 57.16 57.47 3ibn n GLU 106 Cb 0.51 -1.71 -0.01 0.00 -0.02 0.00 0.00 31.44 30.21 3ibn n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3ibn s HIS 107 N -2.37 3.35 0.08 -0.32 3.76 -1.26 -4.27 115.29 114.25 3ibn s HIS 107 Ca -0.28 1.45 0.03 0.00 -0.15 0.00 0.00 55.06 56.11 3ibn s HIS 107 Cb 0.06 -2.84 -0.03 0.00 1.11 0.00 0.00 32.58 30.88 3ibn s HIS 107 CO 0.52 -0.66 -0.10 0.95 -0.85 0.00 0.00 174.74 174.60 3ibn s THR 108 N -2.71 0.85 -0.30 1.30 -4.23 -1.22 -4.69 115.64 104.66 3ibn s THR 108 Ca 0.59 -1.43 -0.02 0.00 -1.18 0.00 0.00 61.69 59.65 3ibn s THR 108 Cb -0.12 -1.11 0.05 0.00 1.34 0.00 0.00 72.50 72.66 3ibn s THR 108 CO 0.38 -0.46 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.31 3ibn s VAL 109 N -1.97 3.04 -1.48 2.29 1.01 -0.96 0.11 120.40 122.44 3ibn s VAL 109 Ca -0.00 -1.31 -0.11 0.00 0.00 0.00 0.00 61.98 60.55 3ibn s VAL 109 Cb -0.06 -2.72 0.06 0.00 0.00 0.00 0.00 36.38 33.67 3ibn s VAL 109 CO 0.00 -0.07 0.99 0.47 0.00 0.00 0.00 175.10 176.49 3ibn n ASP 110 N 4.64 -4.63 0.00 3.32 10.43 0.24 -0.97 116.55 129.59 3ibn n ASP 110 Ca -0.14 -0.74 0.00 0.00 2.57 0.00 0.00 54.79 56.48 3ibn n ASP 110 Cb 0.44 -4.11 0.00 0.00 1.84 0.00 0.00 41.12 39.29 3ibn n ASP 110 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3ibn n LYS 111 N -4.69 0.00 -2.40 -1.24 4.76 -1.26 -5.00 118.16 108.33 3ibn n LYS 111 Ca -0.01 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 3ibn n LYS 111 Cb 0.55 -2.31 -0.03 0.00 -1.84 0.00 0.00 35.03 31.40 3ibn n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3ibn s LYS 112 N -0.07 4.45 -0.22 1.97 2.20 -0.15 -4.99 119.74 122.94 3ibn s LYS 112 Ca 0.00 1.81 -0.09 0.00 -0.36 0.00 0.00 55.97 57.34 3ibn s LYS 112 Cb 0.00 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.97 3ibn s LYS 112 CO 0.00 -0.20 0.10 0.15 -0.36 0.00 0.00 175.35 175.05 3ibn s LYS 113 N 0.59 3.93 0.58 4.03 1.02 -1.26 -2.26 119.74 126.36 3ibn s LYS 113 Ca 0.57 -0.35 -0.07 0.00 0.02 0.00 0.00 55.97 56.14 3ibn s LYS 113 Cb -0.31 -3.38 -0.01 0.00 -0.52 0.00 0.00 37.83 33.62 3ibn s LYS 113 CO 0.32 0.06 0.91 0.71 -0.92 0.00 0.00 175.35 176.43 3ibn s TYR 114 N 0.98 3.40 0.55 3.18 1.51 -1.26 -4.46 117.35 121.25 3ibn s TYR 114 Ca 0.05 0.82 0.22 0.00 -1.01 0.00 0.00 57.07 57.16 3ibn s TYR 114 Cb -0.14 -2.65 1.48 0.00 -0.11 0.00 0.00 41.96 40.54 3ibn s TYR 114 CO 0.03 -0.70 2.15 0.00 -1.11 0.00 0.00 175.55 175.93 3ibn h ALA 115 N -0.14 1.91 -2.68 3.71 0.00 -1.31 -1.17 119.26 119.58 3ibn h ALA 115 Ca -0.46 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.55 3ibn h ALA 115 Cb 1.23 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 3ibn h ALA 115 CO 0.61 -0.12 0.42 0.00 0.00 0.00 0.00 179.25 180.17 3ibn s ALA 116 N -4.89 -1.32 -0.10 0.00 0.00 -1.06 -3.04 121.76 111.35 3ibn s ALA 116 Ca -0.05 -0.33 -0.06 0.00 0.00 0.00 0.00 51.96 51.52 3ibn s ALA 116 Cb 0.17 0.72 0.04 0.00 0.00 0.00 0.00 23.12 24.04 3ibn s ALA 116 CO 0.63 -1.03 0.23 -2.00 0.00 0.00 0.00 175.76 173.58 3ibn s GLU 117 N -2.74 0.21 -0.19 0.00 2.12 0.40 -1.05 118.70 117.45 3ibn s GLU 117 Ca 0.16 0.45 -0.09 0.00 0.36 0.00 0.00 54.97 55.84 3ibn s GLU 117 Cb -0.03 -0.05 -0.05 0.00 0.26 0.00 0.00 34.13 34.26 3ibn s GLU 117 CO 0.06 -0.12 0.13 -1.17 -0.54 0.00 0.00 175.26 173.62 3ibn s LEU 118 N 0.90 4.21 -0.21 2.70 2.96 0.26 -1.33 118.68 128.18 3ibn s LEU 118 Ca -0.06 0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.11 3ibn s LEU 118 Cb -0.08 -2.08 0.03 0.00 0.50 0.00 0.00 46.19 44.56 3ibn s LEU 118 CO -0.06 0.21 -0.17 -1.00 -1.32 0.00 0.00 176.35 174.01 3ibn s HIS 119 N 0.19 2.93 -0.37 5.38 3.76 -0.38 -0.03 115.29 126.76 3ibn s HIS 119 Ca 0.09 -1.82 -0.11 0.00 -0.15 0.00 0.00 55.06 53.06 3ibn s HIS 119 Cb -0.11 -1.93 0.03 0.00 1.11 0.00 0.00 32.58 31.67 3ibn s HIS 119 CO -0.01 -0.82 0.21 -0.51 -0.85 0.00 0.00 174.74 172.75 3ibn s LEU 120 N 1.24 4.72 -0.11 0.89 1.02 -0.23 -1.80 118.68 124.40 3ibn s LEU 120 Ca 0.01 -0.99 -0.20 0.00 0.02 0.00 0.00 54.13 52.97 3ibn s LEU 120 Cb -0.15 -2.02 -0.04 0.00 0.02 0.00 0.00 46.19 44.00 3ibn s LEU 120 CO -0.10 -0.38 0.57 -0.69 0.02 0.00 0.00 176.35 175.76 3ibn s VAL 121 N 1.55 5.12 0.05 -1.59 1.01 0.54 -1.12 120.40 125.96 3ibn s VAL 121 Ca 0.02 1.14 0.05 0.00 0.00 0.00 0.00 61.98 63.18 3ibn s VAL 121 Cb -0.19 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 3ibn s VAL 121 CO 0.07 0.27 -0.13 -1.00 0.00 0.00 0.00 175.10 174.31 3ibn s HIS 122 N 0.85 1.13 0.05 5.22 3.76 -0.27 -1.03 115.29 125.00 3ibn s HIS 122 Ca 0.30 -0.40 0.08 0.00 -0.15 0.00 0.00 55.06 54.88 3ibn s HIS 122 Cb -0.16 -0.65 -0.03 0.00 1.11 0.00 0.00 32.58 32.84 3ibn s HIS 122 CO 0.13 0.03 -0.19 1.67 -0.85 0.00 0.00 174.74 175.52 3ibn s TRP 123 N -1.05 2.52 -0.14 1.40 1.48 -0.60 -1.42 118.94 121.12 3ibn s TRP 123 Ca -0.01 -0.28 -0.29 0.00 -1.06 0.00 0.00 56.10 54.45 3ibn s TRP 123 Cb -0.09 -1.44 -0.05 0.00 -1.16 0.00 0.00 33.47 30.73 3ibn s TRP 123 CO 0.01 0.25 1.79 1.21 -4.06 0.00 0.00 176.95 176.15 3ibn s ASN 124 N -1.47 6.29 0.51 -2.66 3.84 0.57 -1.03 114.94 120.99 3ibn s ASN 124 Ca 0.14 1.98 0.34 0.00 0.21 0.00 0.00 52.86 55.54 3ibn s ASN 124 Cb -0.10 -2.53 1.77 0.00 -0.55 0.00 0.00 41.25 39.83 3ibn s ASN 124 CO 0.05 -1.28 2.04 0.71 -2.79 0.00 0.00 177.10 175.84 3ibn h THR 125 N 6.11 0.00 0.00 -5.21 1.35 -1.56 -1.52 112.91 112.09 3ibn h THR 125 Ca -0.39 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3ibn h THR 125 Cb 1.19 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 3ibn h THR 125 CO 0.97 0.00 0.00 0.07 -0.25 0.00 0.00 175.52 176.31 3ibn h LYS 127 N 0.00 0.00 -0.69 4.72 2.10 -1.90 -2.59 116.57 118.21 3ibn h LYS 127 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3ibn h LYS 127 Cb 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 3ibn h LYS 127 CO 0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 3ibn n TYR 128 N -2.31 1.20 0.00 0.07 4.02 -0.57 -5.01 117.16 114.56 3ibn n TYR 128 Ca 0.01 -0.55 0.00 0.00 -0.01 0.00 0.00 57.90 57.34 3ibn n TYR 128 Cb 0.16 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 3ibn n TYR 128 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ibn n GLY 129 N 1.39 1.67 3.29 2.72 0.00 -0.98 -4.45 105.19 108.83 3ibn n GLY 129 Ca 0.25 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 46.06 3ibn n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ibn s ASP 130 N 0.00 1.59 0.17 1.61 1.47 -1.26 -4.99 116.67 115.26 3ibn s ASP 130 Ca 0.00 -1.73 -0.11 0.00 1.18 0.00 0.00 52.55 51.89 3ibn s ASP 130 Cb 0.00 0.54 0.07 0.00 -0.34 0.00 0.00 42.92 43.19 3ibn s ASP 130 CO 0.00 -1.04 1.68 0.15 0.68 0.00 0.00 175.17 176.64 3ibn h PHE 131 N 2.16 1.00 -0.21 2.11 3.04 -1.94 -2.75 116.94 120.36 3ibn h PHE 131 Ca -0.26 -0.12 0.04 0.00 3.98 0.00 0.00 57.97 61.61 3ibn h PHE 131 Cb 1.23 -0.28 -0.04 0.00 2.56 0.00 0.00 35.95 39.42 3ibn h PHE 131 CO 1.59 0.85 -0.07 0.78 -2.02 0.00 0.00 178.31 179.44 3ibn h GLY 132 N 0.86 0.13 2.00 2.40 0.00 -1.97 -2.19 103.07 104.30 3ibn h GLY 132 Ca 0.19 0.09 -0.09 0.00 0.00 0.00 0.00 47.33 47.52 3ibn h GLY 132 CO 0.00 -0.10 -0.41 0.50 0.00 0.00 0.00 176.54 176.53 3ibn h LYS 133 N -0.03 0.00 -0.32 4.80 1.79 -1.81 -3.19 116.57 117.81 3ibn h LYS 133 Ca 0.11 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.46 3ibn h LYS 133 Cb 0.19 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 3ibn h LYS 133 CO -0.23 0.41 -0.29 0.00 -1.08 0.00 0.00 179.45 178.26 3ibn h ALA 134 N 1.59 0.89 0.00 3.86 0.00 -1.10 -2.85 119.26 121.65 3ibn h ALA 134 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3ibn h ALA 134 Cb 0.84 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3ibn h ALA 134 CO 0.05 0.63 0.00 1.33 0.00 0.00 0.00 179.25 181.26 3ibn n VAL 135 N -4.08 0.00 -0.01 0.00 0.24 -0.88 -1.55 118.33 112.04 3ibn n VAL 135 Ca -0.01 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.31 3ibn n VAL 135 Cb 0.46 -0.35 0.04 0.00 -1.47 0.00 0.00 33.84 32.53 3ibn n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ibn n GLN 136 N -0.08 2.22 -4.96 7.34 6.02 -1.08 -4.91 117.38 121.94 3ibn n GLN 136 Ca 0.00 -1.47 -0.29 0.00 -0.01 0.00 0.00 57.00 55.23 3ibn n GLN 136 Cb 0.17 -1.08 -0.15 0.00 1.02 0.00 0.00 30.24 30.19 3ibn n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3ibn s GLN 137 N -0.85 1.77 0.63 -1.09 -1.52 -0.60 -5.02 119.66 113.00 3ibn s GLN 137 Ca 0.07 -0.99 0.42 0.00 -1.95 0.00 0.00 55.36 52.91 3ibn s GLN 137 Cb 0.04 -1.86 2.25 0.00 -0.22 0.00 0.00 33.01 33.22 3ibn s GLN 137 CO 0.05 0.49 2.29 -1.00 -0.25 0.00 0.00 175.29 176.87 3ibn h PRO 138 N 5.06 0.00 0.00 2.91 0.13 -1.86 -1.67 132.00 136.57 3ibn h PRO 138 Ca -0.44 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.62 3ibn h PRO 138 Cb 1.14 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.12 3ibn h PRO 138 CO 0.45 0.00 -0.70 -0.40 -0.23 0.00 0.00 178.00 177.12 3ibn n ASP 139 N -3.03 1.43 0.25 1.44 3.85 -1.26 -4.19 116.55 115.04 3ibn n ASP 139 Ca -0.02 -3.14 0.14 0.00 -0.71 0.00 0.00 54.79 51.06 3ibn n ASP 139 Cb 0.10 -0.44 0.46 0.00 -1.35 0.00 0.00 41.12 39.89 3ibn n ASP 139 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 3ibn h GLY 140 N 0.98 0.00 -3.14 6.12 0.00 -1.16 -3.43 103.07 102.45 3ibn h GLY 140 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.89 3ibn h GLY 140 CO 0.04 0.00 -0.73 1.08 0.00 0.00 0.00 176.54 176.93 3ibn s LEU 141 N -6.28 2.48 -0.05 3.11 1.43 0.63 -0.31 118.68 119.69 3ibn s LEU 141 Ca 0.03 -0.93 -0.02 0.00 -1.03 0.00 0.00 54.13 52.18 3ibn s LEU 141 Cb 0.08 -0.39 0.04 0.00 0.03 0.00 0.00 46.19 45.94 3ibn s LEU 141 CO 0.61 -0.27 0.09 0.00 0.23 0.00 0.00 176.35 177.00 3ibn s ALA 142 N -2.90 0.10 -0.12 4.21 0.00 -0.51 -1.39 121.76 121.15 3ibn s ALA 142 Ca 0.13 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.42 3ibn s ALA 142 Cb -0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 3ibn s ALA 142 CO 0.01 -0.50 -0.17 0.08 0.00 0.00 0.00 175.76 175.18 3ibn s VAL 143 N 2.17 2.66 -0.35 0.00 1.01 -1.09 -1.11 120.40 123.69 3ibn s VAL 143 Ca 0.04 -0.80 -0.15 0.00 0.00 0.00 0.00 61.98 61.07 3ibn s VAL 143 Cb -0.12 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 3ibn s VAL 143 CO -0.04 0.54 0.34 -0.22 0.00 0.00 0.00 175.10 175.72 3ibn s LEU 144 N 0.35 4.51 -0.16 3.92 2.96 -0.28 -1.79 118.68 128.19 3ibn s LEU 144 Ca -0.14 -0.33 -0.07 0.00 -0.22 0.00 0.00 54.13 53.37 3ibn s LEU 144 Cb -0.17 -2.29 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 3ibn s LEU 144 CO 0.07 -0.34 0.10 -0.83 -1.32 0.00 0.00 176.35 174.03 3ibn s GLY 145 N 1.73 2.01 -0.08 7.98 0.00 0.66 -1.07 107.32 118.55 3ibn s GLY 145 Ca 0.10 -0.70 0.01 0.00 0.00 0.00 0.00 44.72 44.13 3ibn s GLY 145 CO 0.11 -0.11 -0.09 -0.42 0.00 0.00 0.00 173.10 172.59 3ibn s ILE 146 N -0.16 1.02 0.40 0.90 1.01 0.96 -1.51 121.20 123.81 3ibn s ILE 146 Ca 0.09 -0.36 -0.23 0.00 0.00 0.00 0.00 60.65 60.15 3ibn s ILE 146 Cb -0.12 -0.99 -0.10 0.00 0.01 0.00 0.00 42.46 41.27 3ibn s ILE 146 CO 0.01 0.35 0.99 -0.36 0.00 0.00 0.00 174.94 175.92 3ibn s PHE 147 N 1.12 3.37 -0.04 3.97 0.08 -1.26 0.91 117.98 126.13 3ibn s PHE 147 Ca -0.06 1.67 0.07 0.00 0.12 0.00 0.00 56.93 58.72 3ibn s PHE 147 Cb -0.14 -2.98 -0.01 0.00 -0.57 0.00 0.00 43.02 39.31 3ibn s PHE 147 CO -0.02 -0.25 -0.24 -0.51 -0.10 0.00 0.00 175.22 174.10 3ibn s LEU 148 N -2.73 2.04 0.11 -0.37 1.02 -0.22 -0.57 118.68 117.97 3ibn s LEU 148 Ca 0.58 -0.46 0.05 0.00 0.02 0.00 0.00 54.13 54.32 3ibn s LEU 148 Cb -0.16 -1.27 -0.04 0.00 0.02 0.00 0.00 46.19 44.74 3ibn s LEU 148 CO 0.21 0.27 -0.13 -1.59 0.02 0.00 0.00 176.35 175.13 3ibn s LYS 149 N -0.36 0.96 -0.15 1.70 -2.85 -0.72 -2.06 119.74 116.26 3ibn s LYS 149 Ca 0.03 -1.20 -0.24 0.00 -1.00 0.00 0.00 55.97 53.57 3ibn s LYS 149 Cb -0.11 -0.81 -0.02 0.00 -2.06 0.00 0.00 37.83 34.83 3ibn s LYS 149 CO 0.01 0.15 0.76 0.08 0.10 0.00 0.00 175.35 176.45 3ibn s VAL 150 N -2.15 4.95 0.00 1.79 1.01 -1.26 -0.77 120.40 123.97 3ibn s VAL 150 Ca 0.07 1.49 0.00 0.00 0.00 0.00 0.00 61.98 63.54 3ibn s VAL 150 Cb -0.05 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.26 3ibn s VAL 150 CO 0.02 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.82 3ibn n GLY 151 N 3.47 0.74 3.77 4.51 0.00 0.11 -4.89 105.19 112.89 3ibn n GLY 151 Ca 0.02 0.43 -0.33 0.00 0.00 0.00 0.00 46.02 46.14 3ibn n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ibn s SER 152 N 2.00 5.10 0.56 1.61 0.01 -1.26 -3.85 113.70 117.86 3ibn s SER 152 Ca 0.00 2.06 -0.19 0.00 1.31 0.00 0.00 55.95 59.14 3ibn s SER 152 Cb 0.00 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.62 3ibn s SER 152 CO 0.00 -1.64 1.11 0.00 0.41 0.00 0.00 173.24 173.13 3ibn s ALA 153 N -2.22 2.68 -0.46 1.44 0.00 -1.26 -2.59 121.76 119.34 3ibn s ALA 153 Ca 0.69 0.74 -0.12 0.00 0.00 0.00 0.00 51.96 53.27 3ibn s ALA 153 Cb -0.22 -3.34 0.09 0.00 0.00 0.00 0.00 23.12 19.66 3ibn s ALA 153 CO 0.40 -0.81 0.35 0.21 0.00 0.00 0.00 175.76 175.91 3ibn s LYS 154 N -3.44 2.72 0.22 0.00 2.47 -1.23 -4.77 119.74 115.71 3ibn s LYS 154 Ca 0.71 -1.54 -0.09 0.00 -1.56 0.00 0.00 55.97 53.49 3ibn s LYS 154 Cb -0.22 -3.98 0.35 0.00 -1.46 0.00 0.00 37.83 32.52 3ibn s LYS 154 CO 0.29 -1.08 1.67 -1.35 0.16 0.00 0.00 175.35 175.03 3ibn h PRO 155 N 8.57 0.15 0.00 4.03 0.11 -1.91 -1.43 132.00 141.53 3ibn h PRO 155 Ca -0.25 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3ibn h PRO 155 Cb 1.09 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3ibn h PRO 155 CO 0.85 0.10 0.00 0.41 -0.21 0.00 0.00 178.00 179.15 3ibn n GLY 156 N -1.37 -0.74 0.04 -0.55 0.00 -1.26 -2.36 105.19 98.95 3ibn n GLY 156 Ca 0.11 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.24 3ibn n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ibn n LEU 157 N -1.61 0.45 -0.18 0.99 7.94 -0.54 -4.48 117.00 119.58 3ibn n LEU 157 Ca 0.01 0.01 0.10 0.00 -1.11 0.00 0.00 56.01 55.03 3ibn n LEU 157 Cb 0.07 -0.04 0.42 0.00 0.53 0.00 0.00 43.42 44.40 3ibn n LEU 157 CO 0.06 0.00 1.21 -0.61 -1.11 0.00 0.00 177.39 176.94 3ibn h GLN 158 N 0.00 0.59 -0.72 1.96 5.75 -1.49 -1.13 115.11 120.06 3ibn h GLN 158 Ca 0.00 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.44 3ibn h GLN 158 Cb 0.87 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.25 3ibn h GLN 158 CO 0.00 0.39 0.36 0.87 -2.65 0.00 0.00 178.83 177.80 3ibn h LYS 159 N 0.61 1.02 -0.31 1.69 1.57 -1.79 -0.53 116.57 118.83 3ibn h LYS 159 Ca 0.34 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.92 3ibn h LYS 159 Cb 0.53 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3ibn h LYS 159 CO -0.12 0.78 -0.08 0.28 -0.57 0.00 0.00 179.45 179.73 3ibn h VAL 160 N 1.02 1.28 -0.13 0.50 2.07 -1.53 -3.05 116.25 116.41 3ibn h VAL 160 Ca 0.25 -1.13 0.03 0.00 0.82 0.00 0.00 66.70 66.67 3ibn h VAL 160 Cb 0.08 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 3ibn h VAL 160 CO -0.03 0.36 -0.04 0.58 0.02 0.00 0.00 177.57 178.46 3ibn h VAL 161 N 0.37 0.86 0.00 2.57 2.07 -0.74 -2.44 116.25 118.94 3ibn h VAL 161 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.60 3ibn h VAL 161 Cb 0.58 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3ibn h VAL 161 CO 0.03 0.00 0.00 0.44 0.02 0.00 0.00 177.57 178.06 3ibn h ASP 162 N -0.01 0.00 0.59 0.57 3.32 -1.15 -2.78 116.42 116.97 3ibn h ASP 162 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3ibn h ASP 162 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3ibn h ASP 162 CO -0.14 0.00 -0.89 0.55 -1.72 0.00 0.00 179.24 177.04 3ibn n VAL 163 N -2.38 0.24 0.25 -1.35 3.14 -0.94 -4.18 118.33 113.12 3ibn n VAL 163 Ca 0.01 -0.26 0.15 0.00 -2.96 0.00 0.00 64.34 61.29 3ibn n VAL 163 Cb 0.21 0.08 0.86 0.00 -1.06 0.00 0.00 33.84 33.93 3ibn n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3ibn h LEU 164 N 0.00 0.00 -1.39 6.55 3.38 -1.27 -2.10 115.31 120.48 3ibn h LEU 164 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3ibn h LEU 164 Cb 0.74 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3ibn h LEU 164 CO 0.00 0.00 0.25 0.44 0.09 0.00 0.00 178.44 179.22 3ibn h ASP 165 N 0.00 0.59 1.08 -0.43 3.32 -1.78 -2.39 116.42 116.81 3ibn h ASP 165 Ca 0.04 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3ibn h ASP 165 Cb 0.21 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3ibn h ASP 165 CO -0.00 0.49 0.00 -1.54 -1.72 0.00 0.00 179.24 176.47 3ibn n SER 166 N -4.40 0.37 -2.48 6.45 3.41 -0.79 -3.66 113.62 112.52 3ibn n SER 166 Ca 0.04 0.55 -0.16 0.00 -0.26 0.00 0.00 58.87 59.04 3ibn n SER 166 Cb 0.11 -0.64 0.02 0.00 -0.26 0.00 0.00 64.21 63.44 3ibn n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3ibn n ILE 167 N -1.86 1.85 -0.10 -1.33 -5.35 -0.91 -4.72 119.36 106.95 3ibn n ILE 167 Ca 0.06 -3.86 -0.06 0.00 -0.27 0.00 0.00 62.75 58.62 3ibn n ILE 167 Cb 0.34 -0.21 0.01 0.00 -1.74 0.00 0.00 39.64 38.04 3ibn n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3ibn h LYS 168 N 2.57 0.19 -6.15 6.28 3.64 -1.60 -3.43 116.57 118.08 3ibn h LYS 168 Ca 0.13 -0.01 -0.52 0.00 -1.27 0.00 0.00 60.65 58.98 3ibn h LYS 168 Cb 1.23 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.97 3ibn h LYS 168 CO 0.59 0.13 -0.49 0.95 -2.27 0.00 0.00 179.45 178.36 3ibn s THR 169 N -6.17 4.94 0.14 1.00 -4.23 -1.26 -0.51 115.64 109.55 3ibn s THR 169 Ca -0.13 -0.99 -0.35 0.00 -1.18 0.00 0.00 61.69 59.04 3ibn s THR 169 Cb 0.12 -3.60 -0.15 0.00 1.34 0.00 0.00 72.50 70.21 3ibn s THR 169 CO 0.71 -0.20 1.37 1.17 -0.54 0.00 0.00 174.62 177.12 3ibn n LYS 170 N -0.84 1.48 0.00 3.99 4.81 0.48 -2.03 118.16 126.05 3ibn n LYS 170 Ca -0.08 0.53 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 3ibn n LYS 170 Cb 0.56 -2.18 0.00 0.00 0.02 0.00 0.00 35.03 33.43 3ibn n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ibn n GLY 171 N 2.60 3.15 3.77 3.14 0.00 0.12 -4.43 105.19 113.52 3ibn n GLY 171 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3ibn n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ibn s LYS 172 N -0.30 4.34 0.04 1.61 1.02 -0.86 -4.83 119.74 120.76 3ibn s LYS 172 Ca 0.00 1.95 -0.02 0.00 0.02 0.00 0.00 55.97 57.92 3ibn s LYS 172 Cb 0.00 -2.97 -0.02 0.00 -0.52 0.00 0.00 37.83 34.32 3ibn s LYS 172 CO 0.00 -0.11 0.02 -1.54 -0.92 0.00 0.00 175.35 172.80 3ibn s SER 173 N -0.84 0.31 -0.05 2.83 1.04 -1.26 -1.27 113.70 114.45 3ibn s SER 173 Ca 0.50 -0.70 -0.05 0.00 0.48 0.00 0.00 55.95 56.19 3ibn s SER 173 Cb -0.34 0.19 0.02 0.00 0.10 0.00 0.00 66.02 65.98 3ibn s SER 173 CO 0.44 -0.49 0.14 0.00 0.98 0.00 0.00 173.24 174.31 3ibn s ALA 174 N -2.82 -0.35 0.48 5.32 0.00 -0.10 -4.96 121.76 119.34 3ibn s ALA 174 Ca -0.03 0.42 -0.23 0.00 0.00 0.00 0.00 51.96 52.12 3ibn s ALA 174 Cb 0.00 -0.25 -0.08 0.00 0.00 0.00 0.00 23.12 22.79 3ibn s ALA 174 CO -0.06 -0.07 1.16 -0.40 0.00 0.00 0.00 175.76 176.39 3ibn n ASP 175 N 3.08 1.90 -3.00 0.00 5.75 -1.26 -0.73 116.55 122.30 3ibn n ASP 175 Ca -0.13 1.00 -0.14 0.00 -0.01 0.00 0.00 54.79 55.51 3ibn n ASP 175 Cb 0.59 -1.46 -0.03 0.00 -1.03 0.00 0.00 41.12 39.19 3ibn n ASP 175 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 3ibn n PHE 176 N -0.76 -2.51 -3.46 2.11 7.35 0.76 -4.64 117.46 116.31 3ibn n PHE 176 Ca 0.09 -2.25 -0.21 0.00 -0.76 0.00 0.00 57.45 54.33 3ibn n PHE 176 Cb 0.42 0.93 -0.00 0.00 0.35 0.00 0.00 39.48 41.18 3ibn n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3ibn s THR 177 N 0.37 4.38 -1.89 -2.13 -4.23 -1.25 -2.98 115.64 107.91 3ibn s THR 177 Ca 0.32 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.98 3ibn s THR 177 Cb 0.07 -3.55 0.00 0.00 1.34 0.00 0.00 72.50 70.36 3ibn s THR 177 CO -0.13 -0.26 0.00 0.59 -0.54 0.00 0.00 174.62 174.28 3ibn n ASN 178 N -1.70 -5.48 -4.67 3.99 4.13 -1.26 -4.93 115.26 105.34 3ibn n ASN 178 Ca -0.02 0.25 -0.41 0.00 1.68 0.00 0.00 54.58 56.08 3ibn n ASN 178 Cb 0.58 -4.61 -0.05 0.00 -1.54 0.00 0.00 39.78 34.16 3ibn n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3ibn s PHE 179 N -2.85 3.41 -0.46 3.10 5.36 -1.26 -4.98 117.98 120.30 3ibn s PHE 179 Ca 0.00 1.14 -0.17 0.00 -0.96 0.00 0.00 56.93 56.93 3ibn s PHE 179 Cb 0.00 -2.92 0.05 0.00 -0.34 0.00 0.00 43.02 39.80 3ibn s PHE 179 CO 0.00 -0.20 0.49 0.34 -1.46 0.00 0.00 175.22 174.39 3ibn s ASP 180 N 1.15 6.19 0.00 6.13 3.68 -1.26 -4.42 116.67 128.14 3ibn s ASP 180 Ca 0.35 -0.95 0.10 0.00 2.13 0.00 0.00 52.55 54.18 3ibn s ASP 180 Cb -0.16 -2.23 0.45 0.00 -1.45 0.00 0.00 42.92 39.53 3ibn s ASP 180 CO 0.12 -0.70 1.31 -0.81 0.13 0.00 0.00 175.17 175.21 3ibn n PRO 181 N 5.67 0.03 0.30 4.34 -0.04 -1.26 -2.45 135.00 141.59 3ibn n PRO 181 Ca -0.09 0.30 0.19 0.00 -0.04 0.00 0.00 63.50 63.86 3ibn n PRO 181 Cb 0.46 -1.50 0.89 0.00 -0.04 0.00 0.00 33.50 33.31 3ibn n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ibn h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.52 114.38 114.56 3ibn h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ibn h ARG 182 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3ibn h ARG 182 CO 0.00 0.02 0.00 0.41 -1.07 0.00 0.00 179.97 179.33 3ibn n GLY 183 N -0.47 -0.93 0.42 0.04 0.00 -1.03 -2.89 105.19 100.33 3ibn n GLY 183 Ca -0.01 -0.12 0.06 0.00 0.00 0.00 0.00 46.02 45.94 3ibn n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ibn n LEU 184 N -0.83 1.84 -4.80 0.99 4.77 -0.57 -4.00 117.00 114.40 3ibn n LEU 184 Ca 0.15 -0.96 -0.39 0.00 -0.03 0.00 0.00 56.01 54.78 3ibn n LEU 184 Cb 0.07 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 3ibn n LEU 184 CO 0.11 0.35 0.29 -0.76 -1.33 0.00 0.00 177.39 176.05 3ibn s LEU 185 N -1.07 4.53 1.04 2.23 1.43 -1.14 -4.92 118.68 120.77 3ibn s LEU 185 Ca 0.13 1.28 -0.17 0.00 -1.03 0.00 0.00 54.13 54.34 3ibn s LEU 185 Cb 0.09 -2.92 0.23 0.00 0.03 0.00 0.00 46.19 43.62 3ibn s LEU 185 CO 0.16 0.26 1.26 -2.16 0.23 0.00 0.00 176.35 176.11 3ibn s PRO 186 N -1.05 -0.01 0.04 1.29 0.04 -1.26 -4.99 135.00 129.06 3ibn s PRO 186 Ca 0.30 -0.33 -0.22 0.00 0.04 0.00 0.00 61.00 60.78 3ibn s PRO 186 Cb -0.20 -1.76 -0.15 0.00 0.04 0.00 0.00 34.50 32.43 3ibn s PRO 186 CO 0.19 -2.86 1.42 0.93 0.04 0.00 0.00 177.00 176.72 3ibn h GLU 187 N -1.96 0.20 -6.27 4.56 5.08 -1.92 -3.45 114.58 110.83 3ibn h GLU 187 Ca -0.44 -0.08 -0.57 0.00 -1.00 0.00 0.00 59.36 57.27 3ibn h GLU 187 Cb 1.25 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.45 3ibn h GLU 187 CO 0.35 0.52 -0.12 0.45 -1.00 0.00 0.00 179.01 179.21 3ibn s SER 188 N -5.79 6.79 -0.15 1.42 0.15 -1.26 -4.97 113.70 109.88 3ibn s SER 188 Ca -0.15 1.02 0.17 0.00 0.70 0.00 0.00 55.95 57.69 3ibn s SER 188 Cb 0.05 -2.26 0.71 0.00 -1.71 0.00 0.00 66.02 62.80 3ibn s SER 188 CO 0.71 0.13 1.63 0.18 1.20 0.00 0.00 173.24 177.08 3ibn n LEU 189 N 0.87 4.86 -4.77 3.45 4.77 -1.26 -4.71 117.00 120.21 3ibn n LEU 189 Ca -0.06 -2.63 -0.41 0.00 -0.03 0.00 0.00 56.01 52.88 3ibn n LEU 189 Cb 0.52 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3ibn n LEU 189 CO 0.42 0.74 1.11 0.47 -1.33 0.00 0.00 177.39 178.81 3ibn n ASP 190 N 0.77 3.65 -3.71 -1.43 10.43 -1.26 -4.91 116.55 120.09 3ibn n ASP 190 Ca 0.25 1.20 -0.09 0.00 2.57 0.00 0.00 54.79 58.72 3ibn n ASP 190 Cb 0.96 -1.61 -0.03 0.00 1.84 0.00 0.00 41.12 42.27 3ibn n ASP 190 CO 0.00 0.00 0.00 -0.72 -1.07 0.00 0.00 177.20 175.41 3ibn s TYR 191 N -1.14 -0.20 -0.00 1.24 -0.85 -1.26 -0.89 117.35 114.25 3ibn s TYR 191 Ca 0.55 -0.15 0.05 0.00 -0.52 0.00 0.00 57.07 57.00 3ibn s TYR 191 Cb -0.47 0.48 -0.03 0.00 0.38 0.00 0.00 41.96 42.32 3ibn s TYR 191 CO 0.62 -0.97 -0.13 -1.58 -1.52 0.00 0.00 175.55 171.97 3ibn s TRP 192 N -3.86 2.72 0.01 -3.49 0.51 0.13 -1.17 118.94 113.80 3ibn s TRP 192 Ca 0.08 -0.15 0.01 0.00 -2.12 0.00 0.00 56.10 53.93 3ibn s TRP 192 Cb -0.02 -1.57 -0.01 0.00 -0.81 0.00 0.00 33.47 31.06 3ibn s TRP 192 CO -0.02 0.27 -0.04 -0.08 -0.51 0.00 0.00 176.95 176.57 3ibn s THR 193 N -0.88 0.24 0.16 2.01 -1.32 0.47 -0.94 115.64 115.38 3ibn s THR 193 Ca 0.14 -0.52 -0.23 0.00 -1.21 0.00 0.00 61.69 59.87 3ibn s THR 193 Cb -0.11 -0.28 0.06 0.00 -1.51 0.00 0.00 72.50 70.67 3ibn s THR 193 CO 0.04 -0.19 0.66 -0.72 -2.21 0.00 0.00 174.62 172.21 3ibn s TYR 194 N -0.71 -0.44 -0.22 9.09 -0.85 -0.99 -1.42 117.35 121.80 3ibn s TYR 194 Ca -0.06 0.20 -0.24 0.00 -0.52 0.00 0.00 57.07 56.45 3ibn s TYR 194 Cb -0.05 0.59 -0.01 0.00 0.38 0.00 0.00 41.96 42.86 3ibn s TYR 194 CO -0.00 -0.88 0.79 -1.25 -1.52 0.00 0.00 175.55 172.69 3ibn s PRO 195 N -3.69 4.21 0.00 -3.49 0.04 -1.26 -0.56 135.00 130.25 3ibn s PRO 195 Ca 0.04 0.90 0.00 0.00 0.04 0.00 0.00 61.00 61.97 3ibn s PRO 195 Cb -0.02 -3.62 0.00 0.00 0.04 0.00 0.00 34.50 30.90 3ibn s PRO 195 CO -0.09 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 176.94 3ibn n GLY 196 N 3.71 5.34 2.10 0.56 0.00 0.30 -4.82 105.19 112.39 3ibn n GLY 196 Ca 0.04 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 3ibn n GLY 196 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ibn n SER 197 N 0.00 -0.32 -4.78 1.61 3.41 -1.08 -2.11 113.62 110.35 3ibn n SER 197 Ca 0.00 -2.43 -0.36 0.00 -0.26 0.00 0.00 58.87 55.82 3ibn n SER 197 Cb 0.00 1.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.98 3ibn n SER 197 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ibn s LEU 198 N 0.00 4.04 0.00 1.04 1.43 -0.49 -4.46 118.68 120.24 3ibn s LEU 198 Ca 0.25 2.09 0.27 0.00 -1.03 0.00 0.00 54.13 55.71 3ibn s LEU 198 Cb 0.01 -4.28 0.86 0.00 0.03 0.00 0.00 46.19 42.82 3ibn s LEU 198 CO 0.18 -0.67 1.64 0.35 0.23 0.00 0.00 176.35 178.07 3ibn n THR 199 N -0.37 0.00 -4.38 5.49 -2.24 -1.26 -4.44 114.28 107.07 3ibn n THR 199 Ca 0.07 -0.25 -0.22 0.00 -2.27 0.00 0.00 64.05 61.38 3ibn n THR 199 Cb 0.50 0.60 -0.10 0.00 -2.10 0.00 0.00 70.33 69.22 3ibn n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3ibn s THR 200 N -2.13 2.01 0.61 4.28 -4.23 -1.26 -4.69 115.64 110.23 3ibn s THR 200 Ca 0.33 -2.17 -0.19 0.00 -1.18 0.00 0.00 61.69 58.48 3ibn s THR 200 Cb 0.20 -2.07 -0.03 0.00 1.34 0.00 0.00 72.50 71.94 3ibn s THR 200 CO 0.38 -0.43 1.15 -2.65 -0.54 0.00 0.00 174.62 172.53 3ibn n PRO 201 N -0.21 1.10 0.00 3.99 -0.02 -1.26 0.35 135.00 138.94 3ibn n PRO 201 Ca -0.09 0.42 0.01 0.00 -2.02 0.00 0.00 63.50 61.83 3ibn n PRO 201 Cb 0.59 -2.37 0.08 0.00 -0.02 0.00 0.00 33.50 31.78 3ibn n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3ibn n PRO 202 N -1.36 0.64 -3.34 0.52 -0.04 -1.26 -4.97 135.00 125.19 3ibn n PRO 202 Ca 0.14 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.37 3ibn n PRO 202 Cb 0.47 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 3ibn n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3ibn n LEU 203 N -0.57 -1.73 -4.75 1.53 4.77 0.16 -4.88 117.00 111.54 3ibn n LEU 203 Ca 0.02 -0.39 -0.42 0.00 -0.03 0.00 0.00 56.01 55.19 3ibn n LEU 203 Cb 0.01 -2.25 -0.02 0.00 -2.33 0.00 0.00 43.42 38.84 3ibn n LEU 203 CO 0.02 0.18 1.26 -0.76 -1.33 0.00 0.00 177.39 176.76 3ibn s LEU 204 N -6.54 4.35 -1.28 2.23 1.43 -1.26 -4.38 118.68 113.22 3ibn s LEU 204 Ca 0.40 2.94 -0.09 0.00 -1.03 0.00 0.00 54.13 56.34 3ibn s LEU 204 Cb -0.21 -3.63 0.17 0.00 0.03 0.00 0.00 46.19 42.55 3ibn s LEU 204 CO 0.49 -0.92 1.90 -0.62 0.23 0.00 0.00 176.35 177.43 3ibn n GLU 205 N 2.45 3.68 -0.05 1.70 1.02 -1.26 -1.39 120.64 126.78 3ibn n GLU 205 Ca 0.09 -3.53 0.02 0.00 -0.02 0.00 0.00 57.16 53.73 3ibn n GLU 205 Cb 0.37 -2.91 0.03 0.00 -0.02 0.00 0.00 31.44 28.92 3ibn n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ibn s VAL 207 N -1.18 4.00 -0.41 0.00 1.01 -0.90 -0.27 120.40 122.66 3ibn s VAL 207 Ca 0.07 -0.33 -0.15 0.00 0.00 0.00 0.00 61.98 61.57 3ibn s VAL 207 Cb 0.06 -2.74 0.03 0.00 0.00 0.00 0.00 36.38 33.73 3ibn s VAL 207 CO 0.01 0.52 0.30 -0.89 0.00 0.00 0.00 175.10 175.03 3ibn s THR 208 N 0.09 5.17 0.14 3.92 2.01 -0.49 0.11 115.64 126.58 3ibn s THR 208 Ca 0.00 -0.74 -0.24 0.00 0.31 0.00 0.00 61.69 61.03 3ibn s THR 208 Cb -0.13 -3.91 -0.07 0.00 0.01 0.00 0.00 72.50 68.40 3ibn s THR 208 CO 0.02 -0.33 0.73 0.26 -0.69 0.00 0.00 174.62 174.61 3ibn s TRP 209 N 1.66 3.87 -0.25 4.92 0.52 0.28 -2.67 118.94 127.26 3ibn s TRP 209 Ca 0.05 1.54 -0.02 0.00 0.02 0.00 0.00 56.10 57.69 3ibn s TRP 209 Cb -0.20 -2.71 0.08 0.00 -1.15 0.00 0.00 33.47 29.50 3ibn s TRP 209 CO 0.09 0.52 0.06 0.42 0.02 0.00 0.00 176.95 178.06 3ibn s ILE 210 N -1.06 0.75 -0.25 2.03 1.01 -0.74 -2.36 121.20 120.58 3ibn s ILE 210 Ca 0.34 -1.00 -0.06 0.00 0.00 0.00 0.00 60.65 59.94 3ibn s ILE 210 Cb -0.22 -1.38 -0.01 0.00 0.01 0.00 0.00 42.46 40.86 3ibn s ILE 210 CO 0.24 -0.43 0.02 -0.69 0.00 0.00 0.00 174.94 174.08 3ibn s VAL 211 N 1.72 3.79 0.22 2.92 1.01 -0.11 -0.24 120.40 129.69 3ibn s VAL 211 Ca 0.04 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.25 3ibn s VAL 211 Cb -0.17 -2.81 -0.09 0.00 0.00 0.00 0.00 36.38 33.32 3ibn s VAL 211 CO -0.17 0.30 1.18 -0.76 0.00 0.00 0.00 175.10 175.65 3ibn s LEU 212 N 1.52 4.47 0.12 3.92 1.43 -0.57 -0.69 118.68 128.89 3ibn s LEU 212 Ca 0.05 2.27 -0.14 0.00 -1.03 0.00 0.00 54.13 55.27 3ibn s LEU 212 Cb -0.15 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.43 3ibn s LEU 212 CO 0.00 -0.32 1.55 0.50 0.23 0.00 0.00 176.35 178.31 3ibn h LYS 213 N 4.80 0.74 -5.95 1.70 3.64 -1.35 -3.42 116.57 116.73 3ibn h LYS 213 Ca -0.45 -0.26 -0.59 0.00 -1.27 0.00 0.00 60.65 58.08 3ibn h LYS 213 Cb 1.21 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.90 3ibn h LYS 213 CO 0.72 0.85 0.59 -2.00 -2.27 0.00 0.00 179.45 177.34 3ibn s GLU 214 N -4.89 4.11 0.60 1.90 2.12 -1.26 -5.00 118.70 116.28 3ibn s GLU 214 Ca -0.13 0.94 -0.11 0.00 0.36 0.00 0.00 54.97 56.03 3ibn s GLU 214 Cb 0.10 -3.69 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 3ibn s GLU 214 CO 0.80 -0.67 1.01 -1.25 -0.54 0.00 0.00 175.26 174.62 3ibn s PRO 215 N 3.11 3.63 0.06 4.30 0.04 -1.26 -4.69 135.00 140.20 3ibn s PRO 215 Ca 0.38 0.74 0.01 0.00 0.04 0.00 0.00 61.00 62.17 3ibn s PRO 215 Cb -0.14 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 3ibn s PRO 215 CO 0.10 -0.52 0.18 0.96 0.04 0.00 0.00 177.00 177.76 3ibn s ILE 216 N -3.10 5.18 -0.09 0.56 -4.36 0.27 -4.90 121.20 114.75 3ibn s ILE 216 Ca 0.55 -0.48 -0.02 0.00 -0.26 0.00 0.00 60.65 60.44 3ibn s ILE 216 Cb -0.11 -3.52 -0.03 0.00 1.25 0.00 0.00 42.46 40.05 3ibn s ILE 216 CO 0.51 0.14 0.00 -0.94 0.24 0.00 0.00 174.94 174.89 3ibn s SER 217 N -2.48 5.25 0.25 4.36 1.04 -1.26 -1.75 113.70 119.11 3ibn s SER 217 Ca 0.34 0.15 0.09 0.00 0.48 0.00 0.00 55.95 57.00 3ibn s SER 217 Cb -0.13 -1.48 -0.05 0.00 0.10 0.00 0.00 66.02 64.46 3ibn s SER 217 CO 0.26 0.38 -0.13 0.68 0.98 0.00 0.00 173.24 175.41 3ibn s VAL 218 N -0.88 1.93 0.58 5.02 -7.23 0.05 -3.58 120.40 116.29 3ibn s VAL 218 Ca 0.13 -2.24 -0.09 0.00 -1.81 0.00 0.00 61.98 57.98 3ibn s VAL 218 Cb -0.11 -2.27 -0.03 0.00 0.56 0.00 0.00 36.38 34.53 3ibn s VAL 218 CO 0.02 -0.44 0.95 -0.94 -0.31 0.00 0.00 175.10 174.38 3ibn s SER 219 N -3.42 6.17 0.25 4.85 1.04 -1.09 0.07 113.70 121.57 3ibn s SER 219 Ca 0.27 1.21 -0.05 0.00 0.48 0.00 0.00 55.95 57.86 3ibn s SER 219 Cb -0.00 -2.33 0.33 0.00 0.10 0.00 0.00 66.02 64.12 3ibn s SER 219 CO 0.11 -0.81 1.87 -1.28 0.98 0.00 0.00 173.24 174.12 3ibn h SER 220 N -0.15 0.95 -0.52 7.02 0.87 -1.92 -1.37 113.55 118.43 3ibn h SER 220 Ca -0.45 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.09 3ibn h SER 220 Cb 1.20 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.93 3ibn h SER 220 CO 0.62 0.63 0.25 -0.33 -0.53 0.00 0.00 176.83 177.46 3ibn h GLU 221 N 1.10 0.80 -0.07 2.24 3.07 -1.95 0.11 114.58 119.88 3ibn h GLU 221 Ca 0.39 -0.11 -0.02 0.00 -0.50 0.00 0.00 59.36 59.12 3ibn h GLU 221 Cb 0.10 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 27.86 3ibn h GLU 221 CO -0.15 0.64 -0.03 1.96 -1.40 0.00 0.00 179.01 180.03 3ibn h GLN 222 N 0.80 0.14 0.00 2.33 4.20 -1.65 -2.79 115.11 118.14 3ibn h GLN 222 Ca 0.19 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.77 3ibn h GLN 222 Cb 0.12 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3ibn h GLN 222 CO -0.02 0.49 -0.37 -0.24 -0.67 0.00 0.00 178.83 178.02 3ibn h VAL 223 N -0.21 1.12 -0.82 -0.54 3.04 -1.15 -2.74 116.25 114.95 3ibn h VAL 223 Ca 0.02 -1.32 -0.01 0.00 -1.01 0.00 0.00 66.70 64.38 3ibn h VAL 223 Cb 0.45 1.74 -0.04 0.00 -2.01 0.00 0.00 31.29 31.43 3ibn h VAL 223 CO 0.01 0.36 0.47 -0.07 -1.01 0.00 0.00 177.57 177.33 3ibn h LEU 224 N 0.00 1.01 -1.04 3.16 3.38 -0.67 -2.39 115.31 118.76 3ibn h LEU 224 Ca -0.00 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3ibn h LEU 224 Cb 0.71 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3ibn h LEU 224 CO 0.05 0.80 0.05 0.11 0.09 0.00 0.00 178.44 179.54 3ibn h LYS 225 N 1.14 0.74 -0.76 1.13 1.57 -1.22 -1.61 116.57 117.56 3ibn h LYS 225 Ca 0.29 -0.17 0.10 0.00 -1.87 0.00 0.00 60.65 59.00 3ibn h LYS 225 Cb -0.01 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.13 3ibn h LYS 225 CO -0.05 0.71 0.40 0.74 -0.57 0.00 0.00 179.45 180.68 3ibn h PHE 226 N 0.70 0.72 0.00 -1.35 -1.00 -1.37 -0.31 116.94 114.32 3ibn h PHE 226 Ca 0.15 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.96 3ibn h PHE 226 Cb 0.36 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 39.71 3ibn h PHE 226 CO 0.02 0.26 0.00 0.54 -1.61 0.00 0.00 178.31 177.52 3ibn n ARG 227 N -4.82 0.13 0.04 1.51 1.74 -0.63 -2.23 116.66 112.40 3ibn n ARG 227 Ca 0.12 0.43 0.13 0.00 -0.77 0.00 0.00 57.85 57.76 3ibn n ARG 227 Cb 0.29 -1.78 0.42 0.00 -1.02 0.00 0.00 32.46 30.37 3ibn n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3ibn n LYS 228 N -2.03 0.12 -1.12 5.56 5.02 -0.13 -4.31 118.16 121.28 3ibn n LYS 228 Ca 0.02 0.08 -0.31 0.00 -2.02 0.00 0.00 58.31 56.07 3ibn n LYS 228 Cb 0.17 -1.62 0.11 0.00 -0.02 0.00 0.00 35.03 33.67 3ibn n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ibn s LEU 229 N -3.64 2.96 0.08 -0.35 1.43 -0.94 -4.83 118.68 113.38 3ibn s LEU 229 Ca 0.11 1.90 0.08 0.00 -1.03 0.00 0.00 54.13 55.19 3ibn s LEU 229 Cb 0.16 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.83 3ibn s LEU 229 CO 0.61 -2.33 -0.16 0.20 0.23 0.00 0.00 176.35 174.90 3ibn s ASN 230 N -3.21 4.00 -0.04 2.29 0.02 0.33 0.69 114.94 119.01 3ibn s ASN 230 Ca 0.63 -0.45 -0.18 0.00 -1.02 0.00 0.00 52.86 51.84 3ibn s ASN 230 Cb -0.19 -0.66 -0.31 0.00 0.02 0.00 0.00 41.25 40.11 3ibn s ASN 230 CO 0.57 0.21 0.81 -0.26 0.02 0.00 0.00 177.10 178.45 3ibn h PHE 231 N 4.06 0.66 -3.79 2.20 0.05 -1.28 -3.35 116.94 115.49 3ibn h PHE 231 Ca -0.49 -0.48 -0.45 0.00 3.82 0.00 0.00 57.97 60.37 3ibn h PHE 231 Cb 1.16 -0.03 0.17 0.00 2.00 0.00 0.00 35.95 39.25 3ibn h PHE 231 CO 0.57 1.48 0.17 0.54 -0.18 0.00 0.00 178.31 180.90 3ibn s ASN 232 N -7.19 2.37 0.45 2.17 2.20 -1.26 -4.21 114.94 109.47 3ibn s ASN 232 Ca -0.14 1.21 0.01 0.00 -0.94 0.00 0.00 52.86 53.00 3ibn s ASN 232 Cb 0.03 -1.89 -0.00 0.00 -2.00 0.00 0.00 41.25 37.39 3ibn s ASN 232 CO 0.85 -3.29 0.67 -0.83 -2.94 0.00 0.00 177.10 171.55 3ibn s GLY 233 N -3.35 1.59 0.50 0.45 0.00 -1.26 -0.38 107.32 104.87 3ibn s GLY 233 Ca 0.66 -1.10 -0.22 0.00 0.00 0.00 0.00 44.72 44.06 3ibn s GLY 233 CO 0.58 -0.93 1.07 -2.21 0.00 0.00 0.00 173.10 171.62 3ibn n GLU 234 N -2.07 1.32 -1.74 2.90 2.13 -1.26 -2.50 120.64 119.42 3ibn n GLU 234 Ca 0.02 0.49 -0.10 0.00 0.66 0.00 0.00 57.16 58.22 3ibn n GLU 234 Cb 0.58 -2.20 -0.02 0.00 0.27 0.00 0.00 31.44 30.07 3ibn n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ibn n GLY 235 N 1.12 0.56 3.37 8.31 0.00 -1.26 -5.02 105.19 112.27 3ibn n GLY 235 Ca 0.10 -0.51 -0.19 0.00 0.00 0.00 0.00 46.02 45.42 3ibn n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ibn s GLU 236 N -3.68 1.42 0.24 1.61 2.02 -1.04 -5.11 118.70 114.17 3ibn s GLU 236 Ca 0.00 -1.72 -0.32 0.00 0.02 0.00 0.00 54.97 52.96 3ibn s GLU 236 Cb 0.00 -0.85 -0.13 0.00 0.10 0.00 0.00 34.13 33.25 3ibn s GLU 236 CO 0.00 -0.03 1.55 -2.30 0.02 0.00 0.00 175.26 174.50 3ibn n PRO 237 N -0.49 2.39 -2.15 0.39 -0.02 -1.26 -4.89 135.00 128.97 3ibn n PRO 237 Ca -0.05 0.85 -0.42 0.00 -2.02 0.00 0.00 63.50 61.86 3ibn n PRO 237 Cb 0.64 -2.60 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 3ibn n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3ibn s GLU 238 N 0.08 4.24 -0.30 -0.52 2.12 -1.26 -4.76 118.70 118.30 3ibn s GLU 238 Ca 0.70 2.03 0.01 0.00 0.36 0.00 0.00 54.97 58.07 3ibn s GLU 238 Cb -0.58 -3.69 0.09 0.00 0.26 0.00 0.00 34.13 30.21 3ibn s GLU 238 CO 0.44 -0.67 0.06 -2.00 -0.54 0.00 0.00 175.26 172.55 3ibn s GLU 239 N 2.93 1.05 0.33 4.30 2.56 -1.26 -5.06 118.70 123.54 3ibn s GLU 239 Ca 0.66 -1.24 -0.29 0.00 0.00 0.00 0.00 54.97 54.11 3ibn s GLU 239 Cb -0.32 -2.41 -0.12 0.00 2.00 0.00 0.00 34.13 33.28 3ibn s GLU 239 CO 0.27 -0.90 1.38 1.28 -0.56 0.00 0.00 175.26 176.73 3ibn n LEU 240 N 4.67 3.78 -4.55 2.70 4.77 -1.26 -0.91 117.00 126.20 3ibn n LEU 240 Ca -0.02 1.20 -0.41 0.00 -0.03 0.00 0.00 56.01 56.74 3ibn n LEU 240 Cb 0.43 -1.51 -0.03 0.00 -2.33 0.00 0.00 43.42 39.97 3ibn n LEU 240 CO 0.15 -0.30 1.30 -0.32 -1.33 0.00 0.00 177.39 176.89 3ibn s MET 241 N -1.55 3.41 0.07 3.23 -2.45 0.22 -4.60 119.30 117.62 3ibn s MET 241 Ca 0.58 -0.77 -0.06 0.00 -1.25 0.00 0.00 55.69 54.19 3ibn s MET 241 Cb -0.56 -4.81 -0.01 0.00 1.25 0.00 0.00 34.83 30.70 3ibn s MET 241 CO 0.59 -2.15 0.12 0.14 1.05 0.00 0.00 175.02 174.77 3ibn s VAL 242 N 5.17 0.16 -1.48 10.11 -7.23 -1.26 -4.45 120.40 121.42 3ibn s VAL 242 Ca 0.40 -1.31 -0.10 0.00 -1.81 0.00 0.00 61.98 59.17 3ibn s VAL 242 Cb -0.04 -1.27 0.06 0.00 0.56 0.00 0.00 36.38 35.69 3ibn s VAL 242 CO 0.01 -0.72 0.88 0.47 -0.31 0.00 0.00 175.10 175.44 3ibn n ASP 243 N 0.19 -3.66 -3.20 4.85 10.43 -0.18 -4.84 116.55 120.13 3ibn n ASP 243 Ca -0.16 -0.80 -0.37 0.00 2.57 0.00 0.00 54.79 56.03 3ibn n ASP 243 Cb 0.61 -3.87 -0.01 0.00 1.84 0.00 0.00 41.12 39.69 3ibn n ASP 243 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 3ibn n ASN 244 N -2.89 7.51 -4.08 -2.24 0.23 -1.10 -4.91 115.26 107.78 3ibn n ASN 244 Ca -0.06 -3.27 -0.17 0.00 -0.53 0.00 0.00 54.58 50.55 3ibn n ASN 244 Cb 0.57 -1.28 -0.13 0.00 -2.08 0.00 0.00 39.78 36.86 3ibn n ASN 244 CO 0.00 0.00 0.00 -1.66 -0.93 0.00 0.00 177.26 174.67 3ibn s TRP 245 N -1.90 0.90 -0.07 -2.53 1.48 -1.26 -4.54 118.94 111.02 3ibn s TRP 245 Ca 0.53 -0.34 -0.14 0.00 -1.06 0.00 0.00 56.10 55.09 3ibn s TRP 245 Cb 0.25 -0.54 -0.05 0.00 -1.16 0.00 0.00 33.47 31.97 3ibn s TRP 245 CO -0.15 -0.01 0.36 0.50 -4.06 0.00 0.00 176.95 173.59 3ibn s ARG 246 N -1.04 4.01 0.95 3.25 3.52 -1.26 -4.98 118.95 123.39 3ibn s ARG 246 Ca -0.02 0.28 -0.13 0.00 -0.13 0.00 0.00 55.73 55.74 3ibn s ARG 246 Cb -0.07 -3.30 0.16 0.00 -1.56 0.00 0.00 34.95 30.18 3ibn s ARG 246 CO 0.01 0.52 1.13 -1.25 -0.81 0.00 0.00 175.30 174.89 3ibn s PRO 247 N -0.46 0.84 0.32 5.12 0.04 -1.26 -4.62 135.00 134.98 3ibn s PRO 247 Ca 0.21 0.33 -0.29 0.00 0.04 0.00 0.00 61.00 61.29 3ibn s PRO 247 Cb -0.15 -1.80 -0.11 0.00 0.04 0.00 0.00 34.50 32.47 3ibn s PRO 247 CO 0.10 -2.41 1.55 0.00 0.04 0.00 0.00 177.00 176.27 3ibn n ALA 248 N -3.92 2.44 -2.60 8.56 0.00 -1.26 -4.26 120.51 119.47 3ibn n ALA 248 Ca 0.06 0.36 -0.21 0.00 0.00 0.00 0.00 53.44 53.65 3ibn n ALA 248 Cb 0.59 -2.44 -0.03 0.00 0.00 0.00 0.00 19.45 17.56 3ibn n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3ibn s GLN 249 N -1.08 2.84 0.11 0.00 -1.52 0.72 -4.94 119.66 115.79 3ibn s GLN 249 Ca 0.60 -1.19 -0.33 0.00 -1.95 0.00 0.00 55.36 52.49 3ibn s GLN 249 Cb -0.49 -2.54 -0.13 0.00 -0.22 0.00 0.00 33.01 29.63 3ibn s GLN 249 CO 0.54 0.18 1.69 -2.30 -0.25 0.00 0.00 175.29 175.16 3ibn n PRO 250 N -1.35 2.31 0.05 2.91 -0.02 -1.26 -4.54 135.00 133.11 3ibn n PRO 250 Ca -0.03 0.84 0.01 0.00 -2.02 0.00 0.00 63.50 62.30 3ibn n PRO 250 Cb 0.59 -2.65 0.35 0.00 -0.02 0.00 0.00 33.50 31.77 3ibn n PRO 250 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ibn h LEU 251 N 7.09 0.37 0.00 2.45 5.85 -1.94 -3.44 115.31 125.69 3ibn h LEU 251 Ca -0.46 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.20 3ibn h LEU 251 Cb 1.25 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.18 3ibn h LEU 251 CO 0.92 0.47 0.00 0.29 -0.34 0.00 0.00 178.44 179.77 3ibn n LYS 252 N -4.29 0.00 -0.28 1.25 5.02 -1.26 -3.17 118.16 115.42 3ibn n LYS 252 Ca 0.01 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.28 3ibn n LYS 252 Cb 0.24 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.23 3ibn n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3ibn n ASN 253 N -0.12 2.16 -4.10 4.39 4.05 -1.26 -4.87 115.26 115.51 3ibn n ASN 253 Ca 0.00 -1.70 -0.08 0.00 0.45 0.00 0.00 54.58 53.25 3ibn n ASN 253 Cb 0.00 -0.51 -0.10 0.00 1.23 0.00 0.00 39.78 40.40 3ibn n ASN 253 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 3ibn s ARG 254 N 1.58 0.65 -0.04 1.20 0.52 -1.19 -5.10 118.95 116.57 3ibn s ARG 254 Ca 0.11 -1.22 0.03 0.00 -0.52 0.00 0.00 55.73 54.13 3ibn s ARG 254 Cb 0.05 0.12 0.00 0.00 0.52 0.00 0.00 34.95 35.64 3ibn s ARG 254 CO 0.00 -0.09 -0.14 -0.65 0.02 0.00 0.00 175.30 174.45 3ibn s GLN 255 N -3.81 1.47 -0.23 3.54 -0.21 -1.26 -5.04 119.66 114.12 3ibn s GLN 255 Ca 0.07 -0.47 -0.13 0.00 0.02 0.00 0.00 55.36 54.85 3ibn s GLN 255 Cb 0.07 -1.29 -0.04 0.00 1.00 0.00 0.00 33.01 32.74 3ibn s GLN 255 CO -0.09 0.17 0.28 0.42 -2.12 0.00 0.00 175.29 173.95 3ibn s ILE 256 N 0.17 5.27 0.03 1.08 1.01 -1.26 -4.71 121.20 122.79 3ibn s ILE 256 Ca -0.05 0.44 -0.01 0.00 0.00 0.00 0.00 60.65 61.03 3ibn s ILE 256 Cb -0.11 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 3ibn s ILE 256 CO 0.02 0.29 0.18 -0.54 0.00 0.00 0.00 174.94 174.89 3ibn s LYS 257 N 1.26 3.39 -0.03 2.79 -0.14 -0.51 -1.82 119.74 124.68 3ibn s LYS 257 Ca 0.13 -0.40 0.02 0.00 -1.36 0.00 0.00 55.97 54.36 3ibn s LYS 257 Cb -0.14 -3.04 -0.03 0.00 -1.68 0.00 0.00 37.83 32.94 3ibn s LYS 257 CO 0.07 0.64 -0.06 0.00 -0.76 0.00 0.00 175.35 175.23 3ibn s ALA 258 N -1.41 3.03 -1.36 5.17 0.00 0.97 -0.40 121.76 127.77 3ibn s ALA 258 Ca 0.31 -0.95 0.27 0.00 0.00 0.00 0.00 51.96 51.59 3ibn s ALA 258 Cb -0.13 -1.20 0.94 0.00 0.00 0.00 0.00 23.12 22.73 3ibn s ALA 258 CO 0.23 0.60 1.70 -1.13 0.00 0.00 0.00 175.76 177.15 3ibn n SER 259 N 1.85 0.48 -4.39 0.00 3.41 -0.31 -0.71 113.62 113.94 3ibn n SER 259 Ca -0.17 -0.33 -0.24 0.00 -0.26 0.00 0.00 58.87 57.87 3ibn n SER 259 Cb 0.53 -0.02 -0.11 0.00 -0.26 0.00 0.00 64.21 64.34 3ibn n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3ibn s PHE 260 N -2.73 2.08 -2.70 7.33 -0.71 -1.26 -4.89 117.98 115.10 3ibn s PHE 260 Ca 0.20 -0.41 0.26 0.00 -1.04 0.00 0.00 56.93 55.95 3ibn s PHE 260 Cb 0.19 -1.00 0.71 0.00 -1.21 0.00 0.00 43.02 41.71 3ibn s PHE 260 CO 0.56 0.47 1.55 1.63 -1.34 0.00 0.00 175.22 178.10