#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ibi s HIS 4 N 0.00 2.93 0.68 1.57 5.04 -1.26 -5.02 115.29 119.23 3ibi s HIS 4 Ca 0.00 1.54 -0.16 0.00 -1.54 0.00 0.00 55.06 54.91 3ibi s HIS 4 Cb 0.00 -3.08 0.01 0.00 0.04 0.00 0.00 32.58 29.55 3ibi s HIS 4 CO 0.00 -1.09 1.17 1.67 -2.34 0.00 0.00 174.74 174.15 3ibi s TRP 5 N -2.15 2.32 0.00 3.88 1.48 -1.26 -4.86 118.94 118.35 3ibi s TRP 5 Ca 0.67 1.57 0.00 0.00 -1.06 0.00 0.00 56.10 57.28 3ibi s TRP 5 Cb -0.17 -3.35 0.00 0.00 -1.16 0.00 0.00 33.47 28.78 3ibi s TRP 5 CO 0.29 -2.18 0.00 0.41 -4.06 0.00 0.00 176.95 171.41 3ibi n GLY 6 N 0.06 3.16 0.40 3.67 0.00 0.23 -5.03 105.19 107.69 3ibi n GLY 6 Ca 0.12 -0.33 0.06 0.00 0.00 0.00 0.00 46.02 45.87 3ibi n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ibi n TYR 7 N 0.00 0.00 -2.66 1.61 4.02 -1.26 -3.96 117.16 114.91 3ibi n TYR 7 Ca 0.00 -0.70 -0.23 0.00 -0.01 0.00 0.00 57.90 56.96 3ibi n TYR 7 Cb 0.00 -0.13 0.11 0.00 -0.02 0.00 0.00 39.34 39.30 3ibi n TYR 7 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3ibi s GLY 8 N -2.25 1.75 0.41 2.72 0.00 -1.26 -4.72 107.32 103.97 3ibi s GLY 8 Ca 0.23 -1.85 0.08 0.00 0.00 0.00 0.00 44.72 43.18 3ibi s GLY 8 CO -0.01 -1.27 2.03 1.70 0.00 0.00 0.00 173.10 175.55 3ibi h LYS 9 N -0.47 0.44 -0.02 2.90 3.64 -1.98 0.17 116.57 121.27 3ibi h LYS 9 Ca -0.35 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 3ibi h LYS 9 Cb 1.27 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3ibi h LYS 9 CO 0.39 0.35 -0.28 0.72 -2.27 0.00 0.00 179.45 178.35 3ibi n HIS 10 N -4.43 0.00 -1.45 1.91 8.25 -1.26 -4.49 115.22 113.74 3ibi n HIS 10 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3ibi n HIS 10 Cb 0.11 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 3ibi n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3ibi n ASN 11 N 0.29 0.00 -3.01 0.41 6.94 -1.17 -4.95 115.26 113.76 3ibi n ASN 11 Ca 0.09 -1.44 -0.15 0.00 -0.02 0.00 0.00 54.58 53.05 3ibi n ASN 11 Cb 0.43 -0.09 0.11 0.00 -2.36 0.00 0.00 39.78 37.88 3ibi n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ibi n GLY 12 N 0.00 -1.75 0.38 4.83 0.00 0.60 -0.60 105.19 108.66 3ibi n GLY 12 Ca 0.00 -1.62 0.31 0.00 0.00 0.00 0.00 46.02 44.72 3ibi n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ibi h PRO 13 N 0.00 0.13 0.00 1.61 0.11 -1.84 0.20 132.00 132.20 3ibi h PRO 13 Ca -0.22 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3ibi h PRO 13 Cb 0.63 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.71 3ibi h PRO 13 CO 0.15 0.09 0.00 0.39 -0.21 0.00 0.00 178.00 178.42 3ibi n GLU 14 N -4.96 0.20 -0.01 1.05 -0.58 -1.26 -3.03 120.64 112.05 3ibi n GLU 14 Ca 0.36 0.11 0.06 0.00 -0.42 0.00 0.00 57.16 57.27 3ibi n GLU 14 Cb 1.25 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 30.51 3ibi n GLU 14 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3ibi n HIS 15 N -1.35 0.00 -0.28 -0.32 8.25 0.67 -4.67 115.22 117.52 3ibi n HIS 15 Ca 0.08 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.68 3ibi n HIS 15 Cb 0.19 -0.34 0.40 0.00 1.12 0.00 0.00 29.99 31.36 3ibi n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3ibi h TRP 16 N 0.00 0.80 -0.52 4.41 6.55 -1.44 -2.50 115.95 123.26 3ibi h TRP 16 Ca -0.02 0.02 0.15 0.00 0.95 0.00 0.00 58.89 59.99 3ibi h TRP 16 Cb 0.70 -0.25 -0.02 0.00 -0.86 0.00 0.00 29.16 28.73 3ibi h TRP 16 CO 0.00 0.25 0.39 1.12 -1.05 0.00 0.00 178.44 179.16 3ibi h HIS 17 N 0.64 0.00 0.18 0.49 2.07 -1.78 0.19 115.15 116.94 3ibi h HIS 17 Ca 0.48 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.99 3ibi h HIS 17 Cb 0.87 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.85 3ibi h HIS 17 CO -0.00 0.00 -0.09 0.87 -3.07 0.00 0.00 177.93 175.64 3ibi h LYS 18 N 0.00 -0.24 0.00 5.12 1.57 -1.80 -1.97 116.57 119.25 3ibi h LYS 18 Ca 0.25 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.01 3ibi h LYS 18 Cb 1.03 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 3ibi h LYS 18 CO -0.00 -0.14 -0.72 -0.44 -0.57 0.00 0.00 179.45 177.58 3ibi h ASP 19 N -0.27 0.00 -2.83 0.86 3.32 -1.67 -3.40 116.42 112.43 3ibi h ASP 19 Ca -0.03 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.42 3ibi h ASP 19 Cb 0.21 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.36 3ibi h ASP 19 CO 0.04 0.13 -0.78 -0.36 -1.72 0.00 0.00 179.24 176.55 3ibi s PHE 20 N -3.22 2.14 0.58 4.55 0.08 0.02 -4.98 117.98 117.15 3ibi s PHE 20 Ca 0.02 -2.70 0.29 0.00 0.12 0.00 0.00 56.93 54.66 3ibi s PHE 20 Cb 0.08 -1.74 1.45 0.00 -0.57 0.00 0.00 43.02 42.24 3ibi s PHE 20 CO 0.75 -0.72 1.86 -1.35 -0.10 0.00 0.00 175.22 175.67 3ibi h PRO 21 N 5.77 0.00 0.00 0.24 0.11 -1.59 -0.74 132.00 135.80 3ibi h PRO 21 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3ibi h PRO 21 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3ibi h PRO 21 CO 0.51 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.81 3ibi n ILE 22 N -3.84 0.72 0.32 4.15 3.06 -1.26 -2.39 119.36 120.11 3ibi n ILE 22 Ca 0.12 0.18 0.19 0.00 -2.50 0.00 0.00 62.75 60.74 3ibi n ILE 22 Cb 0.80 -0.99 1.06 0.00 0.54 0.00 0.00 39.64 41.05 3ibi n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3ibi h ALA 23 N 2.55 1.24 -0.36 1.51 0.00 -1.45 0.21 119.26 122.96 3ibi h ALA 23 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3ibi h ALA 23 Cb 0.11 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3ibi h ALA 23 CO 0.00 0.01 0.03 1.63 0.00 0.00 0.00 179.25 180.92 3ibi n LYS 24 N -3.44 2.88 -0.14 0.00 5.02 -1.01 -4.94 118.16 116.53 3ibi n LYS 24 Ca -0.03 -2.96 -0.06 0.00 -2.02 0.00 0.00 58.31 53.24 3ibi n LYS 24 Cb 0.09 -1.91 0.05 0.00 -0.02 0.00 0.00 35.03 33.24 3ibi n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ibi n GLY 25 N -0.55 -3.02 0.07 0.72 0.00 0.75 -4.98 105.19 98.18 3ibi n GLY 25 Ca 0.27 -1.37 0.12 0.00 0.00 0.00 0.00 46.02 45.04 3ibi n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ibi n GLU 26 N -2.40 0.29 -3.11 1.61 -0.58 -1.26 -4.45 120.64 110.75 3ibi n GLU 26 Ca 0.03 0.11 -0.17 0.00 -0.42 0.00 0.00 57.16 56.70 3ibi n GLU 26 Cb 0.12 -1.71 -0.02 0.00 -0.57 0.00 0.00 31.44 29.26 3ibi n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 3ibi n ARG 27 N -2.14 0.92 -2.78 3.49 1.85 -1.26 -4.56 116.66 112.17 3ibi n ARG 27 Ca 0.04 -3.08 -0.30 0.00 -1.00 0.00 0.00 57.85 53.51 3ibi n ARG 27 Cb 0.44 -1.51 -0.03 0.00 -1.05 0.00 0.00 32.46 30.31 3ibi n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3ibi s GLN 28 N -1.68 3.77 0.17 2.89 -1.52 -1.26 -2.70 119.66 119.32 3ibi s GLN 28 Ca 0.36 0.49 0.07 0.00 -1.95 0.00 0.00 55.36 54.33 3ibi s GLN 28 Cb 0.30 -2.36 -0.04 0.00 -0.22 0.00 0.00 33.01 30.69 3ibi s GLN 28 CO -0.09 -0.08 -0.14 -1.12 -0.25 0.00 0.00 175.29 173.61 3ibi s SER 29 N -3.25 2.32 0.96 5.90 0.01 -1.26 -4.63 113.70 113.75 3ibi s SER 29 Ca 0.52 -0.93 -0.11 0.00 1.31 0.00 0.00 55.95 56.73 3ibi s SER 29 Cb -0.10 -0.10 0.16 0.00 0.21 0.00 0.00 66.02 66.19 3ibi s SER 29 CO 0.33 -0.16 0.98 -0.81 0.41 0.00 0.00 173.24 173.99 3ibi n PRO 30 N 0.01 -0.88 -4.05 12.44 -0.04 -1.26 -4.51 135.00 136.72 3ibi n PRO 30 Ca -0.11 -1.61 -0.09 0.00 -0.04 0.00 0.00 63.50 61.64 3ibi n PRO 30 Cb 0.59 -0.98 -0.09 0.00 -0.04 0.00 0.00 33.50 32.98 3ibi n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3ibi s VAL 31 N -3.11 0.11 0.14 0.52 -7.23 -1.26 -0.23 120.40 109.34 3ibi s VAL 31 Ca 0.56 -1.65 -0.26 0.00 -1.81 0.00 0.00 61.98 58.83 3ibi s VAL 31 Cb -0.02 -1.82 -0.07 0.00 0.56 0.00 0.00 36.38 35.03 3ibi s VAL 31 CO 0.39 -0.51 0.81 -0.62 -0.31 0.00 0.00 175.10 174.86 3ibi s ASP 32 N -2.98 7.39 -0.51 4.85 3.68 -1.26 -3.19 116.67 124.64 3ibi s ASP 32 Ca 0.17 1.65 -0.15 0.00 2.13 0.00 0.00 52.55 56.35 3ibi s ASP 32 Cb 0.06 -2.51 0.11 0.00 -1.45 0.00 0.00 42.92 39.13 3ibi s ASP 32 CO -0.02 0.14 0.45 -0.63 0.13 0.00 0.00 175.17 175.24 3ibi s ILE 33 N -0.81 5.14 -0.72 4.11 1.01 0.16 -4.92 121.20 125.17 3ibi s ILE 33 Ca 0.38 -1.38 -0.27 0.00 0.00 0.00 0.00 60.65 59.38 3ibi s ILE 33 Cb -0.23 -4.23 0.03 0.00 0.01 0.00 0.00 42.46 38.05 3ibi s ILE 33 CO 0.26 -0.77 1.24 -0.62 0.00 0.00 0.00 174.94 175.06 3ibi s ASP 34 N 3.22 6.18 0.47 3.58 3.68 -1.26 -1.10 116.67 131.44 3ibi s ASP 34 Ca 0.03 -0.45 0.16 0.00 2.13 0.00 0.00 52.55 54.43 3ibi s ASP 34 Cb -0.28 -2.55 1.15 0.00 -1.45 0.00 0.00 42.92 39.80 3ibi s ASP 34 CO 0.04 -1.77 2.03 0.71 0.13 0.00 0.00 175.17 176.30 3ibi h THR 35 N 6.04 0.90 0.00 1.71 1.35 -1.94 -0.96 112.91 120.00 3ibi h THR 35 Ca -0.28 -0.08 -0.11 0.00 -0.55 0.00 0.00 66.41 65.39 3ibi h THR 35 Cb 1.05 0.64 -0.02 0.00 -1.73 0.00 0.00 68.15 68.10 3ibi h THR 35 CO 1.26 0.04 -0.53 0.45 -0.25 0.00 0.00 175.52 176.50 3ibi h HIS 36 N 0.24 0.00 0.00 4.73 3.86 -2.02 -3.23 115.15 118.72 3ibi h HIS 36 Ca 0.20 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 3ibi h HIS 36 Cb 0.47 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.94 3ibi h HIS 36 CO -0.00 0.53 -1.00 1.15 0.86 0.00 0.00 177.93 179.47 3ibi h THR 37 N 0.00 0.02 -3.70 2.45 2.02 -1.74 -3.46 112.91 108.49 3ibi h THR 37 Ca -0.01 -1.03 -0.52 0.00 0.77 0.00 0.00 66.41 65.62 3ibi h THR 37 Cb 1.33 1.52 0.06 0.00 -1.74 0.00 0.00 68.15 69.32 3ibi h THR 37 CO 0.07 0.01 0.68 0.00 0.37 0.00 0.00 175.52 176.65 3ibi s ALA 38 N -3.35 3.54 -0.10 6.16 0.00 -0.45 -4.84 121.76 122.72 3ibi s ALA 38 Ca -0.00 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.25 3ibi s ALA 38 Cb 0.09 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 3ibi s ALA 38 CO 0.79 -0.69 -0.10 0.21 0.00 0.00 0.00 175.76 175.97 3ibi s LYS 39 N -1.28 3.04 0.27 0.00 2.20 -0.86 -4.81 119.74 118.30 3ibi s LYS 39 Ca 0.53 -0.63 -0.30 0.00 -0.36 0.00 0.00 55.97 55.21 3ibi s LYS 39 Cb -0.41 -2.60 -0.11 0.00 -1.51 0.00 0.00 37.83 33.20 3ibi s LYS 39 CO 0.50 0.44 1.57 -0.47 -0.36 0.00 0.00 175.35 177.03 3ibi s TYR 40 N -0.22 2.84 -0.30 4.03 6.14 -1.26 -0.22 117.35 128.36 3ibi s TYR 40 Ca 0.02 0.78 -0.00 0.00 0.64 0.00 0.00 57.07 58.51 3ibi s TYR 40 Cb -0.13 -4.01 0.06 0.00 0.42 0.00 0.00 41.96 38.30 3ibi s TYR 40 CO 0.03 -3.46 -0.01 0.34 0.64 0.00 0.00 175.55 173.09 3ibi s ASP 41 N 0.58 4.80 0.54 4.32 3.68 0.02 -4.80 116.67 125.80 3ibi s ASP 41 Ca 0.64 -1.45 0.32 0.00 2.13 0.00 0.00 52.55 54.19 3ibi s ASP 41 Cb -0.46 -1.67 1.42 0.00 -1.45 0.00 0.00 42.92 40.75 3ibi s ASP 41 CO 0.44 -0.28 2.02 -0.65 0.13 0.00 0.00 175.17 176.83 3ibi h PRO 42 N 7.91 0.00 0.00 4.34 0.11 -1.93 -2.85 132.00 139.57 3ibi h PRO 42 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3ibi h PRO 42 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3ibi h PRO 42 CO 0.53 0.07 0.00 -1.13 -0.21 0.00 0.00 178.00 177.26 3ibi n SER 43 N -3.27 0.00 -4.71 -2.05 3.41 -1.26 -4.77 113.62 100.97 3ibi n SER 43 Ca -0.00 0.48 -0.42 0.00 -0.26 0.00 0.00 58.87 58.67 3ibi n SER 43 Cb 0.29 -0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 63.72 3ibi n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ibi s LEU 44 N -2.99 4.38 0.60 1.04 1.43 -1.08 -4.99 118.68 117.07 3ibi s LEU 44 Ca 0.11 2.01 -0.06 0.00 -1.03 0.00 0.00 54.13 55.16 3ibi s LEU 44 Cb 0.15 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.79 3ibi s LEU 44 CO 0.40 -0.45 0.91 -0.54 0.23 0.00 0.00 176.35 176.91 3ibi s LYS 45 N 0.94 2.95 0.31 1.70 1.02 -1.03 -4.87 119.74 120.76 3ibi s LYS 45 Ca 0.58 0.05 -0.30 0.00 0.02 0.00 0.00 55.97 56.32 3ibi s LYS 45 Cb -0.29 -2.25 -0.12 0.00 -0.52 0.00 0.00 37.83 34.65 3ibi s LYS 45 CO 0.30 -0.70 1.56 -2.30 -0.92 0.00 0.00 175.35 173.28 3ibi n PRO 46 N -2.61 2.67 -2.58 -1.68 -0.02 -1.26 -0.71 135.00 128.81 3ibi n PRO 46 Ca 0.05 0.95 -0.41 0.00 -2.02 0.00 0.00 63.50 62.06 3ibi n PRO 46 Cb 0.57 -2.71 -0.04 0.00 -0.02 0.00 0.00 33.50 31.30 3ibi n PRO 46 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3ibi s LEU 47 N -0.86 4.52 -0.19 2.45 2.96 -1.26 -2.32 118.68 123.98 3ibi s LEU 47 Ca 0.61 2.04 0.01 0.00 -0.22 0.00 0.00 54.13 56.57 3ibi s LEU 47 Cb -0.50 -3.60 0.03 0.00 0.50 0.00 0.00 46.19 42.62 3ibi s LEU 47 CO 0.53 -0.13 -0.16 -0.55 -1.32 0.00 0.00 176.35 174.71 3ibi s SER 48 N -0.34 3.29 -0.35 3.68 0.15 0.57 -4.89 113.70 115.80 3ibi s SER 48 Ca 0.47 -0.77 -0.02 0.00 0.70 0.00 0.00 55.95 56.33 3ibi s SER 48 Cb -0.28 -1.41 0.08 0.00 -1.71 0.00 0.00 66.02 62.70 3ibi s SER 48 CO 0.34 -0.06 0.10 -0.69 1.20 0.00 0.00 173.24 174.14 3ibi s VAL 49 N 1.31 3.12 -0.62 4.45 1.01 -1.26 -1.61 120.40 126.79 3ibi s VAL 49 Ca 0.02 -1.73 -0.04 0.00 0.00 0.00 0.00 61.98 60.23 3ibi s VAL 49 Cb -0.14 -2.98 0.16 0.00 0.00 0.00 0.00 36.38 33.42 3ibi s VAL 49 CO -0.11 -0.40 0.45 -0.44 0.00 0.00 0.00 175.10 174.60 3ibi s SER 50 N 1.49 5.36 0.00 3.32 0.01 -0.44 -4.89 113.70 118.55 3ibi s SER 50 Ca 0.02 -2.77 0.15 0.00 1.31 0.00 0.00 55.95 54.66 3ibi s SER 50 Cb -0.21 -1.88 0.40 0.00 0.21 0.00 0.00 66.02 64.54 3ibi s SER 50 CO -0.03 -0.40 1.32 -1.22 0.41 0.00 0.00 173.24 173.33 3ibi n TYR 51 N 3.62 0.59 -0.36 2.43 0.53 -1.26 -1.29 117.16 121.42 3ibi n TYR 51 Ca 0.07 -0.44 0.10 0.00 -1.02 0.00 0.00 57.90 56.61 3ibi n TYR 51 Cb 0.39 -0.01 0.28 0.00 -1.03 0.00 0.00 39.34 38.97 3ibi n TYR 51 CO 0.00 0.00 0.00 0.38 -1.02 0.00 0.00 176.86 176.22 3ibi h ASP 52 N 2.92 0.86 -0.62 7.72 2.03 -1.98 -1.83 116.42 125.52 3ibi h ASP 52 Ca 0.00 0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.37 3ibi h ASP 52 Cb 0.81 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.22 3ibi h ASP 52 CO 0.00 0.38 0.00 0.00 -1.03 0.00 0.00 179.24 178.59 3ibi n GLN 53 N -4.69 3.28 -1.75 4.15 1.13 -1.26 -4.99 117.38 113.25 3ibi n GLN 53 Ca 0.21 -2.57 -0.42 0.00 -1.94 0.00 0.00 57.00 52.28 3ibi n GLN 53 Cb 0.47 -1.77 -0.00 0.00 0.11 0.00 0.00 30.24 29.04 3ibi n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3ibi n ALA 54 N 1.14 2.02 -3.74 -1.58 0.00 -0.69 -4.59 120.51 113.08 3ibi n ALA 54 Ca 0.23 0.35 -0.29 0.00 0.00 0.00 0.00 53.44 53.74 3ibi n ALA 54 Cb 0.77 -2.37 -0.16 0.00 0.00 0.00 0.00 19.45 17.69 3ibi n ALA 54 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3ibi s THR 55 N -0.97 0.73 0.60 0.00 -1.32 -1.26 -4.89 115.64 108.54 3ibi s THR 55 Ca 0.55 -1.02 -0.15 0.00 -1.21 0.00 0.00 61.69 59.86 3ibi s THR 55 Cb -0.51 -1.39 -0.03 0.00 -1.51 0.00 0.00 72.50 69.05 3ibi s THR 55 CO 0.61 -0.45 1.05 -0.94 -2.21 0.00 0.00 174.62 172.68 3ibi s SER 56 N 1.72 5.82 -0.03 8.08 1.04 -1.26 -0.84 113.70 128.23 3ibi s SER 56 Ca 0.04 1.76 -0.01 0.00 0.48 0.00 0.00 55.95 58.22 3ibi s SER 56 Cb -0.17 -2.52 -0.02 0.00 0.10 0.00 0.00 66.02 63.41 3ibi s SER 56 CO -0.18 -1.14 -0.04 0.18 0.98 0.00 0.00 173.24 173.05 3ibi n LEU 57 N -2.15 1.21 -3.68 2.42 4.77 0.04 -4.08 117.00 115.53 3ibi n LEU 57 Ca 0.08 0.02 -0.02 0.00 -0.03 0.00 0.00 56.01 56.06 3ibi n LEU 57 Cb 0.53 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.51 3ibi n LEU 57 CO 0.48 0.24 0.85 0.00 -1.33 0.00 0.00 177.39 177.63 3ibi s ARG 58 N -2.06 0.85 -0.02 3.23 1.70 -1.22 -1.61 118.95 119.83 3ibi s ARG 58 Ca -0.04 -0.45 0.06 0.00 -0.47 0.00 0.00 55.73 54.83 3ibi s ARG 58 Cb 0.01 0.30 -0.03 0.00 -0.57 0.00 0.00 34.95 34.67 3ibi s ARG 58 CO 0.06 -0.39 -0.20 -1.50 -1.08 0.00 0.00 175.30 172.19 3ibi s ILE 59 N -2.94 2.58 -0.00 4.99 2.07 0.02 -1.06 121.20 126.86 3ibi s ILE 59 Ca 0.12 -1.00 0.00 0.00 -1.41 0.00 0.00 60.65 58.37 3ibi s ILE 59 Cb 0.01 -1.99 0.00 0.00 0.13 0.00 0.00 42.46 40.61 3ibi s ILE 59 CO -0.01 0.52 -0.01 -0.22 -1.91 0.00 0.00 174.94 173.31 3ibi s LEU 60 N -0.86 1.94 -0.44 8.50 2.96 0.03 -0.61 118.68 130.20 3ibi s LEU 60 Ca 0.12 -0.03 -0.17 0.00 -0.22 0.00 0.00 54.13 53.83 3ibi s LEU 60 Cb -0.10 -0.08 0.04 0.00 0.50 0.00 0.00 46.19 46.54 3ibi s LEU 60 CO 0.01 0.01 0.47 0.21 -1.32 0.00 0.00 176.35 175.73 3ibi s ASN 61 N 0.04 6.20 -0.11 3.68 3.84 -0.11 0.15 114.94 128.62 3ibi s ASN 61 Ca -0.00 -0.81 0.14 0.00 0.21 0.00 0.00 52.86 52.40 3ibi s ASN 61 Cb -0.01 -2.23 0.58 0.00 -0.55 0.00 0.00 41.25 39.04 3ibi s ASN 61 CO -0.00 -0.65 1.45 -0.46 -2.79 0.00 0.00 177.10 174.65 3ibi n ASN 62 N 5.66 4.01 0.00 -4.21 0.23 -0.74 -0.78 115.26 119.43 3ibi n ASN 62 Ca -0.08 -2.41 0.00 0.00 -0.53 0.00 0.00 54.58 51.56 3ibi n ASN 62 Cb 0.46 -0.54 0.00 0.00 -2.08 0.00 0.00 39.78 37.63 3ibi n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ibi n GLY 63 N 0.89 1.38 0.00 4.83 0.00 -1.26 -4.74 105.19 106.29 3ibi n GLY 63 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3ibi n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ibi n HIS 64 N -2.00 0.00 -3.09 1.61 8.25 -1.26 -4.74 115.22 113.99 3ibi n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3ibi n HIS 64 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3ibi n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ibi n ALA 65 N -1.99 0.00 -2.56 -1.41 0.00 -1.26 -4.85 120.51 108.44 3ibi n ALA 65 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3ibi n ALA 65 Cb 0.35 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.64 3ibi n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3ibi s PHE 66 N -5.80 2.16 -0.15 0.00 -0.12 -1.26 -1.78 117.98 111.02 3ibi s PHE 66 Ca 0.00 -0.52 -0.03 0.00 -0.05 0.00 0.00 56.93 56.34 3ibi s PHE 66 Cb 0.00 -1.40 -0.02 0.00 -0.63 0.00 0.00 43.02 40.96 3ibi s PHE 66 CO 0.00 -0.11 -0.07 -0.80 -0.05 0.00 0.00 175.22 174.19 3ibi s ASN 67 N -0.34 4.48 -0.42 1.98 0.02 0.12 -4.32 114.94 116.46 3ibi s ASN 67 Ca 0.03 -0.22 -0.16 0.00 -1.02 0.00 0.00 52.86 51.49 3ibi s ASN 67 Cb -0.11 -1.72 0.03 0.00 0.02 0.00 0.00 41.25 39.47 3ibi s ASN 67 CO 0.01 0.15 0.34 -0.69 0.02 0.00 0.00 177.10 176.93 3ibi s VAL 68 N 0.47 5.22 0.15 1.60 1.01 -0.58 -0.79 120.40 127.48 3ibi s VAL 68 Ca -0.06 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.20 3ibi s VAL 68 Cb -0.15 -3.98 -0.06 0.00 0.00 0.00 0.00 36.38 32.19 3ibi s VAL 68 CO 0.03 -0.37 0.44 -1.61 0.00 0.00 0.00 175.10 173.59 3ibi s GLU 69 N 1.78 3.72 0.26 2.72 2.02 -0.22 -1.74 118.70 127.24 3ibi s GLU 69 Ca 0.06 0.11 0.12 0.00 0.02 0.00 0.00 54.97 55.28 3ibi s GLU 69 Cb -0.19 -2.84 -0.05 0.00 0.10 0.00 0.00 34.13 31.15 3ibi s GLU 69 CO 0.10 0.45 -0.21 -0.06 0.02 0.00 0.00 175.26 175.57 3ibi s PHE 70 N -1.62 2.29 -0.52 1.61 0.40 0.13 -0.78 117.98 119.49 3ibi s PHE 70 Ca 0.40 -0.34 -0.28 0.00 -0.60 0.00 0.00 56.93 56.12 3ibi s PHE 70 Cb -0.12 -1.02 0.03 0.00 0.51 0.00 0.00 43.02 42.42 3ibi s PHE 70 CO 0.22 0.67 1.12 0.34 0.70 0.00 0.00 175.22 178.26 3ibi s ASP 71 N -3.33 6.52 -0.33 1.36 3.68 -0.02 -4.85 116.67 119.70 3ibi s ASP 71 Ca 0.28 0.22 0.09 0.00 2.13 0.00 0.00 52.55 55.27 3ibi s ASP 71 Cb -0.06 -2.53 0.59 0.00 -1.45 0.00 0.00 42.92 39.47 3ibi s ASP 71 CO 0.14 -1.31 1.63 -0.90 0.13 0.00 0.00 175.17 174.85 3ibi n ASP 72 N 7.95 3.29 0.07 -0.34 3.85 -1.26 -4.52 116.55 125.59 3ibi n ASP 72 Ca 0.09 -3.57 0.13 0.00 -0.71 0.00 0.00 54.79 50.73 3ibi n ASP 72 Cb 0.49 -0.69 0.41 0.00 -1.35 0.00 0.00 41.12 39.98 3ibi n ASP 72 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3ibi n SER 73 N -0.93 0.60 -4.38 -1.12 3.41 -1.26 -4.86 113.62 105.08 3ibi n SER 73 Ca 0.40 0.46 -0.19 0.00 -0.26 0.00 0.00 58.87 59.28 3ibi n SER 73 Cb 1.24 -0.56 -0.10 0.00 -0.26 0.00 0.00 64.21 64.53 3ibi n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3ibi s GLN 74 N -3.08 1.43 -1.19 4.33 -0.21 -1.26 -5.06 119.66 114.62 3ibi s GLN 74 Ca 0.11 -1.70 -0.21 0.00 0.02 0.00 0.00 55.36 53.57 3ibi s GLN 74 Cb 0.14 -0.98 -0.02 0.00 1.00 0.00 0.00 33.01 33.15 3ibi s GLN 74 CO 0.60 0.03 1.83 0.34 -2.12 0.00 0.00 175.29 175.97 3ibi s ASP 75 N -3.37 5.80 0.03 5.90 2.15 -1.26 -4.87 116.67 121.05 3ibi s ASP 75 Ca 0.27 -1.83 -0.01 0.00 0.43 0.00 0.00 52.55 51.41 3ibi s ASP 75 Cb 0.03 -2.58 -0.02 0.00 -0.30 0.00 0.00 42.92 40.05 3ibi s ASP 75 CO 0.09 -2.25 -0.02 -0.54 -0.17 0.00 0.00 175.17 172.29 3ibi s LYS 76 N 5.61 0.43 -0.28 4.34 1.02 -1.26 -4.98 119.74 124.61 3ibi s LYS 76 Ca 0.62 -0.80 -0.13 0.00 0.02 0.00 0.00 55.97 55.67 3ibi s LYS 76 Cb 0.00 0.15 0.02 0.00 -0.52 0.00 0.00 37.83 37.49 3ibi s LYS 76 CO 0.08 -0.08 0.29 0.00 -0.92 0.00 0.00 175.35 174.73 3ibi n ALA 77 N 1.07 -2.69 -2.51 5.17 0.00 -1.20 -4.41 120.51 115.94 3ibi n ALA 77 Ca -0.20 0.48 -0.23 0.00 0.00 0.00 0.00 53.44 53.48 3ibi n ALA 77 Cb 0.57 -1.78 -0.12 0.00 0.00 0.00 0.00 19.45 18.12 3ibi n ALA 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3ibi s VAL 78 N -1.63 1.75 -0.09 0.00 -7.23 -0.41 -1.33 120.40 111.46 3ibi s VAL 78 Ca 0.15 -1.67 0.04 0.00 -1.81 0.00 0.00 61.98 58.69 3ibi s VAL 78 Cb -0.03 -1.65 -0.01 0.00 0.56 0.00 0.00 36.38 35.25 3ibi s VAL 78 CO 0.59 -0.14 -0.22 -0.22 -0.31 0.00 0.00 175.10 174.80 3ibi s LEU 79 N -2.15 2.24 0.36 1.32 2.96 0.45 -1.33 118.68 122.53 3ibi s LEU 79 Ca 0.09 -0.48 -0.12 0.00 -0.22 0.00 0.00 54.13 53.41 3ibi s LEU 79 Cb -0.09 -1.45 0.04 0.00 0.50 0.00 0.00 46.19 45.19 3ibi s LEU 79 CO 0.05 0.20 0.68 -1.59 -1.32 0.00 0.00 176.35 174.38 3ibi s LYS 80 N 0.11 2.09 1.49 1.98 -2.85 -0.64 -1.37 119.74 120.56 3ibi s LYS 80 Ca -0.10 -1.50 0.00 0.00 -1.00 0.00 0.00 55.97 53.37 3ibi s LYS 80 Cb -0.16 0.57 0.00 0.00 -2.06 0.00 0.00 37.83 36.18 3ibi s LYS 80 CO 0.06 -0.95 0.00 0.41 0.10 0.00 0.00 175.35 174.97 3ibi n GLY 81 N -0.53 -1.69 7.00 0.59 0.00 -1.26 -0.32 105.19 108.98 3ibi n GLY 81 Ca -0.05 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.63 3ibi n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ibi n GLY 82 N 0.00 3.18 0.18 -0.02 0.00 0.11 -1.56 105.19 107.08 3ibi n GLY 82 Ca 0.00 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 45.97 3ibi n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ibi n PRO 83 N 13.76 0.76 -2.87 1.61 -0.04 -1.26 -2.45 135.00 144.50 3ibi n PRO 83 Ca 0.00 -0.36 -0.37 0.00 -0.04 0.00 0.00 63.50 62.73 3ibi n PRO 83 Cb 0.00 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 3ibi n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ibi s LEU 84 N -2.49 4.37 -0.23 1.53 1.43 -0.60 -5.05 118.68 117.64 3ibi s LEU 84 Ca 0.27 1.73 -0.04 0.00 -1.03 0.00 0.00 54.13 55.06 3ibi s LEU 84 Cb 0.20 -3.84 -0.00 0.00 0.03 0.00 0.00 46.19 42.57 3ibi s LEU 84 CO 0.50 -0.01 -0.04 -1.81 0.23 0.00 0.00 176.35 175.21 3ibi s ASP 85 N -1.58 4.29 0.00 2.29 1.01 -1.26 -4.17 116.67 117.25 3ibi s ASP 85 Ca 0.47 -0.48 0.00 0.00 0.71 0.00 0.00 52.55 53.25 3ibi s ASP 85 Cb -0.19 -1.73 0.00 0.00 1.01 0.00 0.00 42.92 42.02 3ibi s ASP 85 CO 0.24 -0.04 0.00 0.61 0.21 0.00 0.00 175.17 176.18 3ibi n GLY 86 N 4.78 -1.74 3.47 0.21 0.00 -1.26 -4.93 105.19 105.72 3ibi n GLY 86 Ca -0.18 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 43.87 3ibi n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ibi s THR 87 N 0.00 3.16 -0.08 2.61 -4.23 -1.26 -4.43 115.64 111.41 3ibi s THR 87 Ca 0.00 -0.67 0.03 0.00 -1.18 0.00 0.00 61.69 59.87 3ibi s THR 87 Cb 0.00 -2.26 -0.02 0.00 1.34 0.00 0.00 72.50 71.56 3ibi s THR 87 CO 0.00 0.58 -0.18 -0.31 -0.54 0.00 0.00 174.62 174.17 3ibi s TYR 88 N -0.52 2.64 -0.16 3.99 2.02 -0.47 -1.02 117.35 123.83 3ibi s TYR 88 Ca 0.07 -0.55 -0.07 0.00 -0.37 0.00 0.00 57.07 56.15 3ibi s TYR 88 Cb -0.12 -1.69 -0.04 0.00 -0.40 0.00 0.00 41.96 39.71 3ibi s TYR 88 CO 0.02 -0.11 0.07 0.50 -1.57 0.00 0.00 175.55 174.46 3ibi s ARG 89 N -0.13 3.81 0.08 -0.62 3.52 0.05 -0.41 118.95 125.25 3ibi s ARG 89 Ca -0.02 -0.30 -0.31 0.00 -0.13 0.00 0.00 55.73 54.96 3ibi s ARG 89 Cb -0.14 -3.18 -0.08 0.00 -1.56 0.00 0.00 34.95 29.98 3ibi s ARG 89 CO 0.04 0.40 1.60 -1.17 -0.81 0.00 0.00 175.30 175.36 3ibi s LEU 90 N 0.01 4.36 -0.08 -0.88 2.96 -0.44 -1.38 118.68 123.22 3ibi s LEU 90 Ca 0.07 2.46 0.04 0.00 -0.22 0.00 0.00 54.13 56.48 3ibi s LEU 90 Cb -0.12 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 42.93 3ibi s LEU 90 CO 0.01 -0.85 -0.02 0.00 -1.32 0.00 0.00 176.35 174.16 3ibi n ILE 91 N 4.54 0.51 -3.63 6.68 3.06 0.06 -4.58 119.36 126.00 3ibi n ILE 91 Ca 0.15 -0.25 -0.04 0.00 -2.50 0.00 0.00 62.75 60.11 3ibi n ILE 91 Cb 0.41 -0.82 -0.01 0.00 0.54 0.00 0.00 39.64 39.75 3ibi n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3ibi s GLN 92 N -2.18 0.74 0.03 9.51 1.03 -1.21 -0.69 119.66 126.88 3ibi s GLN 92 Ca -0.08 -0.36 -0.01 0.00 0.04 0.00 0.00 55.36 54.96 3ibi s GLN 92 Cb 0.03 0.28 -0.02 0.00 0.03 0.00 0.00 33.01 33.33 3ibi s GLN 92 CO 0.25 -0.33 -0.02 -0.59 -2.54 0.00 0.00 175.29 172.06 3ibi s PHE 93 N -2.87 0.30 0.32 9.60 -0.12 -0.71 -0.34 117.98 124.15 3ibi s PHE 93 Ca 0.10 -0.62 -0.12 0.00 -0.05 0.00 0.00 56.93 56.25 3ibi s PHE 93 Cb 0.00 -0.22 0.02 0.00 -0.63 0.00 0.00 43.02 42.19 3ibi s PHE 93 CO -0.03 -0.24 0.59 -3.38 -0.05 0.00 0.00 175.22 172.11 3ibi s HIS 94 N -1.97 0.42 0.31 3.49 -3.43 -0.56 -1.52 115.29 112.02 3ibi s HIS 94 Ca -0.11 -0.84 0.04 0.00 -0.80 0.00 0.00 55.06 53.35 3ibi s HIS 94 Cb -0.06 0.36 -0.06 0.00 -1.43 0.00 0.00 32.58 31.39 3ibi s HIS 94 CO -0.03 -1.22 0.03 -0.06 -2.00 0.00 0.00 174.74 171.46 3ibi s PHE 95 N -3.28 1.93 -0.04 0.38 0.40 -1.26 -0.33 117.98 115.78 3ibi s PHE 95 Ca 0.21 -0.90 0.01 0.00 -0.60 0.00 0.00 56.93 55.66 3ibi s PHE 95 Cb -0.03 -1.22 0.02 0.00 0.51 0.00 0.00 43.02 42.31 3ibi s PHE 95 CO 0.13 0.07 -0.05 -1.01 0.70 0.00 0.00 175.22 175.05 3ibi s HIS 96 N -3.24 0.76 0.21 0.36 3.76 -0.37 -4.75 115.29 112.01 3ibi s HIS 96 Ca 0.34 -0.20 -0.05 0.00 -0.15 0.00 0.00 55.06 54.99 3ibi s HIS 96 Cb 0.07 -0.64 -0.03 0.00 1.11 0.00 0.00 32.58 33.10 3ibi s HIS 96 CO 0.14 -0.17 0.25 1.67 -0.85 0.00 0.00 174.74 175.78 3ibi s TRP 97 N 0.75 0.83 0.42 1.40 -2.14 -1.21 -0.77 118.94 118.21 3ibi s TRP 97 Ca -0.10 -1.11 0.05 0.00 2.66 0.00 0.00 56.10 57.60 3ibi s TRP 97 Cb -0.13 -0.27 0.05 0.00 -3.10 0.00 0.00 33.47 30.02 3ibi s TRP 97 CO 0.00 -0.76 0.41 0.41 -2.66 0.00 0.00 176.95 174.36 3ibi n GLY 98 N -0.29 2.52 0.08 3.67 0.00 -1.13 -0.71 105.19 109.32 3ibi n GLY 98 Ca -0.00 -2.24 0.12 0.00 0.00 0.00 0.00 46.02 43.89 3ibi n GLY 98 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ibi h SER 99 N 0.34 0.00 -4.72 1.61 4.64 -1.88 -3.37 113.55 110.17 3ibi h SER 99 Ca -0.24 -0.18 -0.25 0.00 -0.47 0.00 0.00 61.79 60.65 3ibi h SER 99 Cb 0.95 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.85 3ibi h SER 99 CO 0.37 0.09 -0.72 -0.76 -0.87 0.00 0.00 176.83 174.94 3ibi s LEU 100 N -4.46 2.36 0.57 5.97 1.43 -1.26 -5.04 118.68 118.25 3ibi s LEU 100 Ca 0.05 -0.73 0.26 0.00 -1.03 0.00 0.00 54.13 52.68 3ibi s LEU 100 Cb 0.13 -0.12 1.67 0.00 0.03 0.00 0.00 46.19 47.90 3ibi s LEU 100 CO 0.74 -0.32 2.22 0.44 0.23 0.00 0.00 176.35 179.67 3ibi h ASP 101 N 3.88 0.00 0.06 2.29 3.45 -1.91 -2.67 116.42 121.52 3ibi h ASP 101 Ca -0.35 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.11 3ibi h ASP 101 Cb 1.19 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.96 3ibi h ASP 101 CO 0.50 0.01 0.00 0.61 -1.57 0.00 0.00 179.24 178.79 3ibi n GLY 102 N -1.35 -0.64 3.56 2.75 0.00 -1.26 -3.45 105.19 104.81 3ibi n GLY 102 Ca -0.03 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 3ibi n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ibi s GLN 103 N -2.10 1.43 0.00 1.61 -2.07 -1.01 -4.71 119.66 112.82 3ibi s GLN 103 Ca 0.26 -0.90 0.00 0.00 -1.82 0.00 0.00 55.36 52.90 3ibi s GLN 103 Cb 0.13 0.53 0.00 0.00 -1.09 0.00 0.00 33.01 32.57 3ibi s GLN 103 CO 0.23 -0.61 0.00 0.41 -1.32 0.00 0.00 175.29 173.99 3ibi n GLY 104 N -0.36 2.03 3.82 2.60 0.00 -1.07 -2.86 105.19 109.35 3ibi n GLY 104 Ca -0.09 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 3ibi n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ibi s SER 105 N 0.00 5.69 -0.20 1.61 1.04 -0.60 -3.36 113.70 117.88 3ibi s SER 105 Ca 0.00 1.68 -0.16 0.00 0.48 0.00 0.00 55.95 57.95 3ibi s SER 105 Cb 0.00 -2.51 -0.10 0.00 0.10 0.00 0.00 66.02 63.51 3ibi s SER 105 CO 0.00 -1.23 -0.14 -0.62 0.98 0.00 0.00 173.24 172.23 3ibi n GLU 106 N -2.55 0.53 -2.13 4.02 1.02 -1.26 -4.82 120.64 115.45 3ibi n GLU 106 Ca 0.08 0.42 -0.32 0.00 -0.02 0.00 0.00 57.16 57.32 3ibi n GLU 106 Cb 0.53 -1.61 -0.00 0.00 -0.02 0.00 0.00 31.44 30.34 3ibi n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3ibi s HIS 107 N -2.47 3.22 0.12 -0.32 3.76 -1.26 -4.26 115.29 114.08 3ibi s HIS 107 Ca -0.27 1.47 0.05 0.00 -0.15 0.00 0.00 55.06 56.16 3ibi s HIS 107 Cb 0.06 -2.90 -0.04 0.00 1.11 0.00 0.00 32.58 30.82 3ibi s HIS 107 CO 0.43 -0.81 -0.12 0.95 -0.85 0.00 0.00 174.74 174.34 3ibi s THR 108 N -2.62 1.19 -0.30 1.30 -4.23 -1.19 -4.70 115.64 105.09 3ibi s THR 108 Ca 0.61 -1.71 -0.01 0.00 -1.18 0.00 0.00 61.69 59.39 3ibi s THR 108 Cb -0.13 -1.49 0.05 0.00 1.34 0.00 0.00 72.50 72.27 3ibi s THR 108 CO 0.37 -0.48 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.27 3ibi s VAL 109 N -2.31 2.92 -1.41 2.29 1.01 -0.78 0.38 120.40 122.49 3ibi s VAL 109 Ca 0.08 -1.43 -0.07 0.00 0.00 0.00 0.00 61.98 60.57 3ibi s VAL 109 Cb -0.04 -2.69 0.04 0.00 0.00 0.00 0.00 36.38 33.69 3ibi s VAL 109 CO 0.02 -0.11 0.86 0.47 0.00 0.00 0.00 175.10 176.33 3ibi n ASP 110 N 4.60 -3.09 0.00 3.32 10.43 -0.26 -0.70 116.55 130.85 3ibi n ASP 110 Ca -0.13 -0.79 0.00 0.00 2.57 0.00 0.00 54.79 56.44 3ibi n ASP 110 Cb 0.43 -4.03 0.00 0.00 1.84 0.00 0.00 41.12 39.36 3ibi n ASP 110 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3ibi n LYS 111 N -4.50 0.00 -2.47 -1.24 4.76 -1.26 -4.98 118.16 108.47 3ibi n LYS 111 Ca -0.13 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.89 3ibi n LYS 111 Cb 0.60 -3.21 -0.03 0.00 -1.84 0.00 0.00 35.03 30.56 3ibi n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3ibi s LYS 112 N -0.34 4.38 -0.19 1.97 2.20 0.12 -5.00 119.74 122.89 3ibi s LYS 112 Ca 0.00 1.68 -0.13 0.00 -0.36 0.00 0.00 55.97 57.16 3ibi s LYS 112 Cb 0.00 -3.51 -0.05 0.00 -1.51 0.00 0.00 37.83 32.76 3ibi s LYS 112 CO 0.00 -0.38 0.24 0.15 -0.36 0.00 0.00 175.35 174.99 3ibi s LYS 113 N 1.91 4.21 0.62 4.03 1.02 -1.26 -1.87 119.74 128.40 3ibi s LYS 113 Ca 0.56 -0.03 -0.03 0.00 0.02 0.00 0.00 55.97 56.49 3ibi s LYS 113 Cb -0.25 -3.45 0.04 0.00 -0.52 0.00 0.00 37.83 33.65 3ibi s LYS 113 CO 0.24 0.21 0.89 0.71 -0.92 0.00 0.00 175.35 176.47 3ibi s TYR 114 N 0.59 2.92 0.38 3.18 1.51 -1.26 -4.58 117.35 120.08 3ibi s TYR 114 Ca 0.13 0.24 0.16 0.00 -1.01 0.00 0.00 57.07 56.59 3ibi s TYR 114 Cb -0.13 -2.94 0.90 0.00 -0.11 0.00 0.00 41.96 39.68 3ibi s TYR 114 CO 0.03 -1.10 1.90 0.00 -1.11 0.00 0.00 175.55 175.26 3ibi h ALA 115 N -0.24 1.40 -2.76 3.71 0.00 -1.43 -1.53 119.26 118.41 3ibi h ALA 115 Ca -0.43 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.30 3ibi h ALA 115 Cb 1.30 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 3ibi h ALA 115 CO 0.57 0.36 0.37 0.00 0.00 0.00 0.00 179.25 180.54 3ibi s ALA 116 N -4.24 -1.24 -0.12 0.00 0.00 -1.05 -3.03 121.76 112.08 3ibi s ALA 116 Ca -0.03 -0.35 -0.06 0.00 0.00 0.00 0.00 51.96 51.52 3ibi s ALA 116 Cb 0.14 0.73 0.05 0.00 0.00 0.00 0.00 23.12 24.04 3ibi s ALA 116 CO 0.69 -1.03 0.28 -2.00 0.00 0.00 0.00 175.76 173.70 3ibi s GLU 117 N -2.95 0.25 -0.15 0.00 2.12 0.05 -1.19 118.70 116.83 3ibi s GLU 117 Ca 0.15 0.58 -0.12 0.00 0.36 0.00 0.00 54.97 55.93 3ibi s GLU 117 Cb -0.04 -0.09 -0.05 0.00 0.26 0.00 0.00 34.13 34.21 3ibi s GLU 117 CO 0.07 -0.16 0.24 -1.17 -0.54 0.00 0.00 175.26 173.70 3ibi s LEU 118 N 1.24 4.27 -0.21 2.70 2.96 0.14 -1.23 118.68 128.55 3ibi s LEU 118 Ca -0.09 0.46 0.02 0.00 -0.22 0.00 0.00 54.13 54.30 3ibi s LEU 118 Cb -0.10 -2.28 0.03 0.00 0.50 0.00 0.00 46.19 44.35 3ibi s LEU 118 CO -0.09 0.17 -0.16 -1.00 -1.32 0.00 0.00 176.35 173.95 3ibi s HIS 119 N 0.16 2.97 -0.38 5.38 3.76 0.55 -0.70 115.29 127.03 3ibi s HIS 119 Ca 0.15 -1.89 -0.11 0.00 -0.15 0.00 0.00 55.06 53.05 3ibi s HIS 119 Cb -0.13 -1.93 0.02 0.00 1.11 0.00 0.00 32.58 31.66 3ibi s HIS 119 CO 0.03 -0.83 0.22 -0.51 -0.85 0.00 0.00 174.74 172.79 3ibi s LEU 120 N 1.22 4.74 -0.09 0.89 1.43 -0.52 -1.49 118.68 124.86 3ibi s LEU 120 Ca -0.00 -0.95 -0.19 0.00 -1.03 0.00 0.00 54.13 51.95 3ibi s LEU 120 Cb -0.16 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 3ibi s LEU 120 CO -0.10 -0.38 0.53 -0.69 0.23 0.00 0.00 176.35 175.94 3ibi s VAL 121 N 1.57 5.12 0.04 -1.59 1.01 0.53 -1.32 120.40 125.77 3ibi s VAL 121 Ca 0.03 1.07 0.04 0.00 0.00 0.00 0.00 61.98 63.12 3ibi s VAL 121 Cb -0.19 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 3ibi s VAL 121 CO 0.07 0.34 -0.12 -1.00 0.00 0.00 0.00 175.10 174.40 3ibi s HIS 122 N 0.45 1.00 0.01 5.22 3.76 -0.32 -0.76 115.29 124.65 3ibi s HIS 122 Ca 0.28 -0.37 0.05 0.00 -0.15 0.00 0.00 55.06 54.88 3ibi s HIS 122 Cb -0.16 -0.59 -0.03 0.00 1.11 0.00 0.00 32.58 32.90 3ibi s HIS 122 CO 0.13 0.01 -0.15 1.67 -0.85 0.00 0.00 174.74 175.55 3ibi s TRP 123 N -0.94 2.67 -0.13 1.40 1.48 -0.48 -1.18 118.94 121.75 3ibi s TRP 123 Ca -0.02 -0.18 -0.29 0.00 -1.06 0.00 0.00 56.10 54.55 3ibi s TRP 123 Cb -0.08 -1.54 -0.05 0.00 -1.16 0.00 0.00 33.47 30.63 3ibi s TRP 123 CO 0.01 0.25 1.89 1.21 -4.06 0.00 0.00 176.95 176.25 3ibi s ASN 124 N -1.22 6.18 0.39 -2.66 3.84 0.15 -0.77 114.94 120.85 3ibi s ASN 124 Ca 0.14 2.06 0.27 0.00 0.21 0.00 0.00 52.86 55.54 3ibi s ASN 124 Cb -0.11 -2.53 1.42 0.00 -0.55 0.00 0.00 41.25 39.49 3ibi s ASN 124 CO 0.04 -1.36 1.82 0.71 -2.79 0.00 0.00 177.10 175.53 3ibi h THR 125 N 6.21 0.00 0.00 -5.21 1.35 -1.42 -2.03 112.91 111.82 3ibi h THR 125 Ca -0.41 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 3ibi h THR 125 Cb 1.20 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 3ibi h THR 125 CO 0.97 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 178.53 3ibi n LYS 127 N -2.45 0.09 -0.39 4.72 2.85 -1.26 -2.63 118.16 119.10 3ibi n LYS 127 Ca -0.01 0.34 0.11 0.00 -1.05 0.00 0.00 58.31 57.70 3ibi n LYS 127 Cb 0.07 -1.68 0.31 0.00 -0.65 0.00 0.00 35.03 33.08 3ibi n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3ibi n TYR 128 N -1.86 1.01 0.00 5.58 0.53 -0.76 -5.00 117.16 116.66 3ibi n TYR 128 Ca 0.03 -0.52 0.00 0.00 -1.02 0.00 0.00 57.90 56.39 3ibi n TYR 128 Cb 0.19 -0.04 0.00 0.00 -1.03 0.00 0.00 39.34 38.46 3ibi n TYR 128 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3ibi n GLY 129 N 1.46 1.73 3.77 2.72 0.00 -1.08 -4.45 105.19 109.34 3ibi n GLY 129 Ca 0.24 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 3ibi n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ibi s ASP 130 N 0.00 0.12 0.16 1.61 -4.77 -1.26 -5.03 116.67 107.51 3ibi s ASP 130 Ca 0.00 -1.20 -0.15 0.00 -3.30 0.00 0.00 52.55 47.90 3ibi s ASP 130 Cb 0.00 0.84 0.05 0.00 -1.09 0.00 0.00 42.92 42.72 3ibi s ASP 130 CO 0.00 -1.66 1.81 0.15 0.70 0.00 0.00 175.17 176.17 3ibi h PHE 131 N 2.01 0.50 -0.25 2.11 3.04 -1.93 -2.04 116.94 120.38 3ibi h PHE 131 Ca -0.32 0.01 0.06 0.00 3.98 0.00 0.00 57.97 61.70 3ibi h PHE 131 Cb 1.25 -0.16 -0.06 0.00 2.56 0.00 0.00 35.95 39.53 3ibi h PHE 131 CO 1.42 0.30 -0.16 0.78 -2.02 0.00 0.00 178.31 178.62 3ibi h GLY 132 N 0.54 0.00 2.00 2.40 0.00 -1.97 -1.74 103.07 104.30 3ibi h GLY 132 Ca 0.17 0.21 -0.10 0.00 0.00 0.00 0.00 47.33 47.61 3ibi h GLY 132 CO -0.07 -0.17 -0.46 1.70 0.00 0.00 0.00 176.54 177.55 3ibi h LYS 133 N -0.15 0.00 -0.58 4.80 1.63 -1.80 -3.17 116.57 117.31 3ibi h LYS 133 Ca 0.14 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.86 3ibi h LYS 133 Cb 0.36 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.96 3ibi h LYS 133 CO -0.34 0.46 0.06 0.00 -3.45 0.00 0.00 179.45 176.18 3ibi h ALA 134 N 1.54 1.03 0.00 5.00 0.00 -0.58 -2.69 119.26 123.56 3ibi h ALA 134 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3ibi h ALA 134 Cb 0.86 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3ibi h ALA 134 CO 0.06 0.62 0.00 1.33 0.00 0.00 0.00 179.25 181.25 3ibi n VAL 135 N -4.22 0.00 0.04 0.00 0.24 -0.84 -1.47 118.33 112.07 3ibi n VAL 135 Ca 0.04 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.37 3ibi n VAL 135 Cb 0.29 -0.21 0.07 0.00 -1.47 0.00 0.00 33.84 32.52 3ibi n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ibi n GLN 136 N -0.28 1.84 -4.45 7.34 6.02 -1.01 -4.92 117.38 121.92 3ibi n GLN 136 Ca 0.00 -1.50 -0.29 0.00 -0.01 0.00 0.00 57.00 55.20 3ibi n GLN 136 Cb 0.07 -1.15 -0.13 0.00 1.02 0.00 0.00 30.24 30.04 3ibi n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3ibi s GLN 137 N -0.85 1.43 0.49 -1.09 -1.52 -0.54 -5.03 119.66 112.56 3ibi s GLN 137 Ca 0.12 -1.31 0.24 0.00 -1.95 0.00 0.00 55.36 52.46 3ibi s GLN 137 Cb 0.07 -1.88 1.30 0.00 -0.22 0.00 0.00 33.01 32.28 3ibi s GLN 137 CO 0.09 0.45 2.03 -1.35 -0.25 0.00 0.00 175.29 176.27 3ibi h PRO 138 N 4.01 0.00 -0.33 2.91 0.11 -1.85 -2.84 132.00 134.01 3ibi h PRO 138 Ca -0.50 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.36 3ibi h PRO 138 Cb 1.17 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.03 3ibi h PRO 138 CO 0.40 0.15 -0.74 -0.40 -0.21 0.00 0.00 178.00 177.20 3ibi n ASP 139 N -3.81 2.86 0.13 -2.05 3.85 -1.26 -4.20 116.55 112.08 3ibi n ASP 139 Ca -0.02 -3.46 -0.00 0.00 -0.71 0.00 0.00 54.79 50.60 3ibi n ASP 139 Cb 0.25 -0.43 0.13 0.00 -1.35 0.00 0.00 41.12 39.73 3ibi n ASP 139 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 3ibi h GLY 140 N 1.61 0.00 -2.82 6.12 0.00 -1.28 -3.42 103.07 103.28 3ibi h GLY 140 Ca 0.10 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.96 3ibi h GLY 140 CO 0.32 0.00 -0.75 1.08 0.00 0.00 0.00 176.54 177.19 3ibi s LEU 141 N -7.10 2.51 -0.04 3.11 1.43 0.21 0.33 118.68 119.13 3ibi s LEU 141 Ca 0.00 -0.96 -0.02 0.00 -1.03 0.00 0.00 54.13 52.13 3ibi s LEU 141 Cb 0.11 -0.73 0.03 0.00 0.03 0.00 0.00 46.19 45.63 3ibi s LEU 141 CO 0.75 -0.12 0.05 0.00 0.23 0.00 0.00 176.35 177.26 3ibi s ALA 142 N -2.63 0.26 -0.17 4.21 0.00 -0.33 -1.11 121.76 121.99 3ibi s ALA 142 Ca 0.20 0.17 -0.00 0.00 0.00 0.00 0.00 51.96 52.33 3ibi s ALA 142 Cb -0.03 -0.59 -0.00 0.00 0.00 0.00 0.00 23.12 22.50 3ibi s ALA 142 CO 0.07 -0.44 -0.14 0.08 0.00 0.00 0.00 175.76 175.32 3ibi s VAL 143 N 2.03 2.70 -0.36 0.00 1.01 -1.02 -1.18 120.40 123.59 3ibi s VAL 143 Ca 0.03 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 61.07 3ibi s VAL 143 Cb -0.12 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.11 3ibi s VAL 143 CO -0.03 0.51 0.57 -0.22 0.00 0.00 0.00 175.10 175.92 3ibi s LEU 144 N 0.94 4.33 -0.15 3.92 2.96 -0.43 -1.74 118.68 128.51 3ibi s LEU 144 Ca -0.03 0.01 -0.08 0.00 -0.22 0.00 0.00 54.13 53.81 3ibi s LEU 144 Cb -0.15 -2.67 -0.04 0.00 0.50 0.00 0.00 46.19 43.83 3ibi s LEU 144 CO -0.02 -0.54 0.11 -0.83 -1.32 0.00 0.00 176.35 173.75 3ibi s GLY 145 N 1.79 2.06 -0.07 7.98 0.00 0.69 -1.44 107.32 118.32 3ibi s GLY 145 Ca 0.21 -0.69 0.00 0.00 0.00 0.00 0.00 44.72 44.25 3ibi s GLY 145 CO 0.14 -0.16 -0.06 -0.42 0.00 0.00 0.00 173.10 172.61 3ibi s ILE 146 N -0.34 0.74 0.42 0.90 1.01 0.12 -1.10 121.20 122.94 3ibi s ILE 146 Ca 0.11 -0.18 -0.22 0.00 0.00 0.00 0.00 60.65 60.36 3ibi s ILE 146 Cb -0.12 -0.77 -0.10 0.00 0.01 0.00 0.00 42.46 41.48 3ibi s ILE 146 CO 0.01 0.29 0.98 -0.36 0.00 0.00 0.00 174.94 175.86 3ibi s PHE 147 N 1.30 3.30 -0.08 3.97 0.08 -1.26 0.28 117.98 125.57 3ibi s PHE 147 Ca -0.04 1.63 0.05 0.00 0.12 0.00 0.00 56.93 58.69 3ibi s PHE 147 Cb -0.14 -2.93 -0.00 0.00 -0.57 0.00 0.00 43.02 39.38 3ibi s PHE 147 CO -0.02 -0.26 -0.23 -0.51 -0.10 0.00 0.00 175.22 174.09 3ibi s LEU 148 N -3.01 2.05 0.18 -0.37 1.02 -0.33 -0.97 118.68 117.25 3ibi s LEU 148 Ca 0.61 -0.52 0.11 0.00 0.02 0.00 0.00 54.13 54.35 3ibi s LEU 148 Cb -0.13 -1.34 -0.04 0.00 0.02 0.00 0.00 46.19 44.70 3ibi s LEU 148 CO 0.18 0.18 -0.24 -1.59 0.02 0.00 0.00 176.35 174.90 3ibi s LYS 149 N 0.16 1.48 -0.19 1.70 -2.85 -0.63 -2.00 119.74 117.41 3ibi s LYS 149 Ca -0.12 -1.50 -0.21 0.00 -1.00 0.00 0.00 55.97 53.14 3ibi s LYS 149 Cb -0.16 -1.80 -0.03 0.00 -2.06 0.00 0.00 37.83 33.79 3ibi s LYS 149 CO 0.06 0.39 0.63 0.08 0.10 0.00 0.00 175.35 176.61 3ibi s VAL 150 N -1.65 5.03 0.00 1.79 1.01 -1.26 -1.15 120.40 124.18 3ibi s VAL 150 Ca 0.20 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.36 3ibi s VAL 150 Cb -0.08 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.36 3ibi s VAL 150 CO 0.09 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.92 3ibi n GLY 151 N 3.76 0.58 3.77 4.51 0.00 0.54 -4.90 105.19 113.45 3ibi n GLY 151 Ca -0.02 0.48 -0.34 0.00 0.00 0.00 0.00 46.02 46.14 3ibi n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ibi s SER 152 N 2.00 5.50 0.56 1.61 0.01 -1.26 -3.94 113.70 118.18 3ibi s SER 152 Ca 0.00 2.13 -0.18 0.00 1.31 0.00 0.00 55.95 59.20 3ibi s SER 152 Cb 0.00 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.61 3ibi s SER 152 CO 0.00 -1.37 1.10 0.00 0.41 0.00 0.00 173.24 173.38 3ibi s ALA 153 N -1.95 2.69 -0.45 1.44 0.00 -1.26 -2.17 121.76 120.06 3ibi s ALA 153 Ca 0.71 0.69 -0.13 0.00 0.00 0.00 0.00 51.96 53.23 3ibi s ALA 153 Cb -0.23 -3.32 0.08 0.00 0.00 0.00 0.00 23.12 19.65 3ibi s ALA 153 CO 0.32 -0.77 0.35 0.21 0.00 0.00 0.00 175.76 175.86 3ibi s LYS 154 N -3.50 2.84 0.25 0.00 2.47 -1.19 -4.79 119.74 115.82 3ibi s LYS 154 Ca 0.70 -1.40 -0.02 0.00 -1.56 0.00 0.00 55.97 53.68 3ibi s LYS 154 Cb -0.21 -4.00 0.50 0.00 -1.46 0.00 0.00 37.83 32.66 3ibi s LYS 154 CO 0.29 -1.01 1.74 -1.35 0.16 0.00 0.00 175.35 175.19 3ibi h PRO 155 N 8.62 0.51 0.00 4.03 0.11 -1.90 -1.60 132.00 141.77 3ibi h PRO 155 Ca -0.26 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3ibi h PRO 155 Cb 1.10 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3ibi h PRO 155 CO 0.83 0.34 0.00 0.41 -0.21 0.00 0.00 178.00 179.37 3ibi n GLY 156 N -1.32 -0.82 0.06 -0.55 0.00 -1.26 -2.55 105.19 98.76 3ibi n GLY 156 Ca 0.16 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.26 3ibi n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ibi n LEU 157 N -1.50 0.44 -0.35 0.99 7.94 -0.60 -4.49 117.00 119.42 3ibi n LEU 157 Ca 0.02 0.17 0.11 0.00 -1.11 0.00 0.00 56.01 55.20 3ibi n LEU 157 Cb 0.11 -0.03 0.29 0.00 0.53 0.00 0.00 43.42 44.33 3ibi n LEU 157 CO 0.09 -0.09 1.21 -0.61 -1.11 0.00 0.00 177.39 176.88 3ibi h GLN 158 N 0.00 0.82 -0.80 1.96 5.75 -1.54 -0.72 115.11 120.59 3ibi h GLN 158 Ca -0.00 -0.05 0.05 0.00 -0.15 0.00 0.00 58.65 58.50 3ibi h GLN 158 Cb 1.01 -0.19 -0.05 0.00 1.07 0.00 0.00 27.48 29.33 3ibi h GLN 158 CO 0.00 0.55 0.52 -0.22 -2.65 0.00 0.00 178.83 177.03 3ibi h LYS 159 N 0.85 0.89 -0.11 1.69 1.63 -1.79 0.14 116.57 119.87 3ibi h LYS 159 Ca 0.54 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 60.23 3ibi h LYS 159 Cb 0.74 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 32.17 3ibi h LYS 159 CO -0.33 0.59 -0.16 0.28 -3.45 0.00 0.00 179.45 176.38 3ibi h VAL 160 N 0.91 1.38 -0.57 2.00 2.07 -1.45 -3.06 116.25 117.53 3ibi h VAL 160 Ca 0.33 -1.39 0.06 0.00 0.82 0.00 0.00 66.70 66.52 3ibi h VAL 160 Cb 0.15 2.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.90 3ibi h VAL 160 CO -0.11 0.40 0.27 0.58 0.02 0.00 0.00 177.57 178.73 3ibi h VAL 161 N -0.12 0.90 0.00 2.57 2.07 -0.54 -2.61 116.25 118.52 3ibi h VAL 161 Ca 0.01 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3ibi h VAL 161 Cb 0.72 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3ibi h VAL 161 CO 0.04 0.09 0.00 0.44 0.02 0.00 0.00 177.57 178.16 3ibi h ASP 162 N 0.51 0.00 0.68 0.57 3.32 -0.77 -2.89 116.42 117.84 3ibi h ASP 162 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3ibi h ASP 162 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3ibi h ASP 162 CO -0.20 0.00 -0.74 0.55 -1.72 0.00 0.00 179.24 177.12 3ibi n VAL 163 N -2.97 0.25 0.11 -1.35 3.14 -1.00 -4.19 118.33 112.32 3ibi n VAL 163 Ca 0.01 -0.23 0.15 0.00 -2.96 0.00 0.00 64.34 61.31 3ibi n VAL 163 Cb 0.29 0.03 0.68 0.00 -1.06 0.00 0.00 33.84 33.78 3ibi n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3ibi h LEU 164 N 0.00 0.00 -2.14 6.55 3.38 -1.35 -1.43 115.31 120.31 3ibi h LEU 164 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3ibi h LEU 164 Cb 0.71 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 3ibi h LEU 164 CO 0.00 0.00 -0.03 -2.24 0.09 0.00 0.00 178.44 176.26 3ibi h ASP 165 N 0.00 0.00 0.67 -0.43 2.03 -1.78 -1.99 116.42 114.93 3ibi h ASP 165 Ca 0.15 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.45 3ibi h ASP 165 Cb 0.61 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.11 3ibi h ASP 165 CO -0.00 0.03 -0.22 -1.54 -1.03 0.00 0.00 179.24 176.48 3ibi n SER 166 N -4.17 0.30 -2.49 4.15 3.41 -0.54 -3.91 113.62 110.37 3ibi n SER 166 Ca -0.03 -0.02 -0.14 0.00 -0.26 0.00 0.00 58.87 58.43 3ibi n SER 166 Cb 0.12 -0.12 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 3ibi n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3ibi n ILE 167 N -1.38 1.80 -0.35 -1.33 -5.35 -0.76 -4.74 119.36 107.24 3ibi n ILE 167 Ca 0.08 -3.68 0.02 0.00 -0.27 0.00 0.00 62.75 58.90 3ibi n ILE 167 Cb 0.33 0.00 0.16 0.00 -1.74 0.00 0.00 39.64 38.39 3ibi n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3ibi h LYS 168 N 2.54 1.09 -6.22 6.28 3.64 -1.65 -3.42 116.57 118.82 3ibi h LYS 168 Ca 0.10 -0.07 -0.55 0.00 -1.27 0.00 0.00 60.65 58.87 3ibi h LYS 168 Cb 1.28 -0.25 -0.08 0.00 -0.41 0.00 0.00 32.23 32.78 3ibi h LYS 168 CO 0.53 0.72 -0.61 0.95 -2.27 0.00 0.00 179.45 178.77 3ibi s THR 169 N -6.05 3.81 0.17 1.00 -4.23 -1.26 -0.01 115.64 109.07 3ibi s THR 169 Ca -0.12 -1.67 -0.34 0.00 -1.18 0.00 0.00 61.69 58.38 3ibi s THR 169 Cb 0.20 -3.03 -0.15 0.00 1.34 0.00 0.00 72.50 70.86 3ibi s THR 169 CO 0.81 -0.33 1.42 1.17 -0.54 0.00 0.00 174.62 177.16 3ibi n LYS 170 N -0.86 1.78 0.00 3.99 4.81 -0.21 -2.16 118.16 125.52 3ibi n LYS 170 Ca -0.07 0.64 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 3ibi n LYS 170 Cb 0.58 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 33.32 3ibi n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ibi n GLY 171 N 2.68 2.99 3.76 3.14 0.00 0.04 -4.36 105.19 113.44 3ibi n GLY 171 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3ibi n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ibi s LYS 172 N -0.38 4.62 0.04 1.61 1.02 -0.92 -4.86 119.74 120.87 3ibi s LYS 172 Ca 0.00 1.71 -0.01 0.00 0.02 0.00 0.00 55.97 57.69 3ibi s LYS 172 Cb 0.00 -3.12 -0.03 0.00 -0.52 0.00 0.00 37.83 34.16 3ibi s LYS 172 CO 0.00 0.23 -0.03 -1.54 -0.92 0.00 0.00 175.35 173.09 3ibi s SER 173 N -1.03 0.42 0.04 2.83 1.04 -1.26 -0.94 113.70 114.79 3ibi s SER 173 Ca 0.46 -0.85 -0.10 0.00 0.48 0.00 0.00 55.95 55.93 3ibi s SER 173 Cb -0.29 0.17 0.01 0.00 0.10 0.00 0.00 66.02 66.00 3ibi s SER 173 CO 0.38 -0.51 0.21 0.00 0.98 0.00 0.00 173.24 174.30 3ibi s ALA 174 N -3.21 -0.43 0.33 5.32 0.00 0.22 -4.96 121.76 119.03 3ibi s ALA 174 Ca 0.00 -0.20 -0.29 0.00 0.00 0.00 0.00 51.96 51.47 3ibi s ALA 174 Cb 0.03 0.27 -0.11 0.00 0.00 0.00 0.00 23.12 23.31 3ibi s ALA 174 CO -0.07 -0.36 1.53 -0.51 0.00 0.00 0.00 175.76 176.35 3ibi s ASP 175 N -2.01 6.38 -0.45 0.00 1.01 -1.26 -0.80 116.67 119.53 3ibi s ASP 175 Ca -0.06 2.98 0.06 0.00 0.71 0.00 0.00 52.55 56.25 3ibi s ASP 175 Cb -0.02 -2.65 0.22 0.00 1.01 0.00 0.00 42.92 41.49 3ibi s ASP 175 CO -0.03 -0.88 0.67 0.33 0.21 0.00 0.00 175.17 175.47 3ibi n PHE 176 N 1.30 -2.22 -3.51 4.23 7.35 -0.63 -4.68 117.46 119.30 3ibi n PHE 176 Ca 0.04 -2.43 -0.22 0.00 -0.76 0.00 0.00 57.45 54.08 3ibi n PHE 176 Cb 0.38 0.80 -0.01 0.00 0.35 0.00 0.00 39.48 41.01 3ibi n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3ibi s THR 177 N 0.09 4.83 -1.85 -2.13 -4.23 -1.26 -3.06 115.64 108.03 3ibi s THR 177 Ca 0.33 -0.70 0.00 0.00 -1.18 0.00 0.00 61.69 60.13 3ibi s THR 177 Cb 0.14 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 70.24 3ibi s THR 177 CO -0.16 -0.40 0.00 0.59 -0.54 0.00 0.00 174.62 174.11 3ibi n ASN 178 N -1.70 -5.30 -4.70 3.99 4.13 -1.26 -4.93 115.26 105.49 3ibi n ASN 178 Ca -0.04 0.30 -0.41 0.00 1.68 0.00 0.00 54.58 56.11 3ibi n ASN 178 Cb 0.57 -4.42 -0.04 0.00 -1.54 0.00 0.00 39.78 34.35 3ibi n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3ibi s PHE 179 N -2.77 3.54 -0.46 3.10 5.36 -1.26 -4.98 117.98 120.50 3ibi s PHE 179 Ca 0.00 1.30 -0.16 0.00 -0.96 0.00 0.00 56.93 57.11 3ibi s PHE 179 Cb 0.00 -2.91 0.05 0.00 -0.34 0.00 0.00 43.02 39.82 3ibi s PHE 179 CO 0.00 -0.03 0.43 0.34 -1.46 0.00 0.00 175.22 174.49 3ibi s ASP 180 N 0.95 6.16 0.06 6.13 3.68 -1.26 -4.43 116.67 127.96 3ibi s ASP 180 Ca 0.39 -1.08 0.10 0.00 2.13 0.00 0.00 52.55 54.10 3ibi s ASP 180 Cb -0.18 -2.20 0.46 0.00 -1.45 0.00 0.00 42.92 39.55 3ibi s ASP 180 CO 0.18 -0.64 1.32 -0.81 0.13 0.00 0.00 175.17 175.34 3ibi n PRO 181 N 5.43 0.03 0.30 4.34 -0.04 -1.26 -2.19 135.00 141.61 3ibi n PRO 181 Ca -0.10 0.41 0.18 0.00 -0.04 0.00 0.00 63.50 63.94 3ibi n PRO 181 Cb 0.45 -1.59 0.92 0.00 -0.04 0.00 0.00 33.50 33.25 3ibi n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ibi h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.53 114.38 114.56 3ibi h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ibi h ARG 182 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3ibi h ARG 182 CO 0.00 0.04 0.00 0.41 -1.07 0.00 0.00 179.97 179.35 3ibi n GLY 183 N -0.73 -0.99 0.35 0.04 0.00 -0.93 -3.01 105.19 99.92 3ibi n GLY 183 Ca -0.02 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 45.94 3ibi n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ibi n LEU 184 N -0.76 1.96 -4.86 0.99 4.77 -0.57 -3.99 117.00 114.54 3ibi n LEU 184 Ca 0.12 -1.32 -0.36 0.00 -0.03 0.00 0.00 56.01 54.42 3ibi n LEU 184 Cb 0.06 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 3ibi n LEU 184 CO 0.09 0.44 0.09 -0.76 -1.33 0.00 0.00 177.39 175.92 3ibi s LEU 185 N -0.75 4.39 0.92 2.23 1.43 -1.16 -4.93 118.68 120.81 3ibi s LEU 185 Ca 0.11 0.86 -0.15 0.00 -1.03 0.00 0.00 54.13 53.92 3ibi s LEU 185 Cb 0.07 -2.85 0.17 0.00 0.03 0.00 0.00 46.19 43.61 3ibi s LEU 185 CO 0.10 0.22 1.28 -2.16 0.23 0.00 0.00 176.35 176.02 3ibi s PRO 186 N -1.62 0.97 0.02 1.29 0.04 -1.26 -5.00 135.00 129.44 3ibi s PRO 186 Ca 0.30 -0.25 -0.25 0.00 0.04 0.00 0.00 61.00 60.84 3ibi s PRO 186 Cb -0.15 -1.87 -0.17 0.00 0.04 0.00 0.00 34.50 32.35 3ibi s PRO 186 CO 0.16 -2.21 1.38 0.93 0.04 0.00 0.00 177.00 177.30 3ibi h GLU 187 N -1.50 -0.22 -6.82 4.56 5.08 -1.92 -3.45 114.58 110.32 3ibi h GLU 187 Ca -0.45 0.01 -0.48 0.00 -1.00 0.00 0.00 59.36 57.45 3ibi h GLU 187 Cb 1.26 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 3ibi h GLU 187 CO 0.46 0.08 0.17 0.45 -1.00 0.00 0.00 179.01 179.16 3ibi s SER 188 N -5.25 6.83 -0.09 1.42 0.15 -1.26 -4.98 113.70 110.53 3ibi s SER 188 Ca -0.15 1.40 0.14 0.00 0.70 0.00 0.00 55.95 58.04 3ibi s SER 188 Cb 0.03 -2.42 0.44 0.00 -1.71 0.00 0.00 66.02 62.36 3ibi s SER 188 CO 0.61 -0.24 1.36 0.18 1.20 0.00 0.00 173.24 176.35 3ibi n LEU 189 N -0.40 3.50 -4.74 3.45 4.77 -1.26 -4.74 117.00 117.57 3ibi n LEU 189 Ca 0.04 -2.47 -0.41 0.00 -0.03 0.00 0.00 56.01 53.14 3ibi n LEU 189 Cb 0.53 -0.39 0.01 0.00 -2.33 0.00 0.00 43.42 41.24 3ibi n LEU 189 CO 0.40 0.71 1.02 0.47 -1.33 0.00 0.00 177.39 178.66 3ibi n ASP 190 N 0.13 3.18 -3.91 -1.43 10.43 -1.26 -4.90 116.55 118.79 3ibi n ASP 190 Ca 0.17 1.16 -0.09 0.00 2.57 0.00 0.00 54.79 58.60 3ibi n ASP 190 Cb 0.67 -1.57 -0.04 0.00 1.84 0.00 0.00 41.12 42.02 3ibi n ASP 190 CO 0.00 0.00 0.00 -0.72 -1.07 0.00 0.00 177.20 175.41 3ibi s TYR 191 N -1.16 0.11 0.08 1.24 -0.85 -1.26 -1.31 117.35 114.20 3ibi s TYR 191 Ca 0.58 -0.50 0.08 0.00 -0.52 0.00 0.00 57.07 56.71 3ibi s TYR 191 Cb -0.49 0.37 -0.04 0.00 0.38 0.00 0.00 41.96 42.18 3ibi s TYR 191 CO 0.60 -1.04 -0.18 -1.58 -1.52 0.00 0.00 175.55 171.83 3ibi s TRP 192 N -3.96 2.54 0.00 -3.49 0.51 -0.16 -1.08 118.94 113.30 3ibi s TRP 192 Ca 0.16 -0.26 -0.02 0.00 -2.12 0.00 0.00 56.10 53.86 3ibi s TRP 192 Cb -0.02 -1.40 -0.01 0.00 -0.81 0.00 0.00 33.47 31.23 3ibi s TRP 192 CO 0.06 0.31 0.04 -0.08 -0.51 0.00 0.00 176.95 176.77 3ibi s THR 193 N -1.03 0.07 0.03 2.01 -1.32 0.11 -0.88 115.64 114.63 3ibi s THR 193 Ca 0.16 -0.54 -0.27 0.00 -1.21 0.00 0.00 61.69 59.83 3ibi s THR 193 Cb -0.11 -0.24 0.09 0.00 -1.51 0.00 0.00 72.50 70.73 3ibi s THR 193 CO 0.07 -0.30 0.77 -0.72 -2.21 0.00 0.00 174.62 172.24 3ibi s TYR 194 N -0.92 -0.46 -0.06 9.09 -0.85 -0.98 -1.49 117.35 121.68 3ibi s TYR 194 Ca -0.10 0.43 -0.28 0.00 -0.52 0.00 0.00 57.07 56.59 3ibi s TYR 194 Cb -0.06 0.52 -0.02 0.00 0.38 0.00 0.00 41.96 42.77 3ibi s TYR 194 CO -0.00 -0.63 0.93 -1.25 -1.52 0.00 0.00 175.55 173.08 3ibi s PRO 195 N -2.82 4.47 0.00 -3.49 0.04 -1.26 -1.02 135.00 130.91 3ibi s PRO 195 Ca 0.01 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.34 3ibi s PRO 195 Cb -0.01 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 31.03 3ibi s PRO 195 CO -0.06 -0.16 0.00 0.41 0.04 0.00 0.00 177.00 177.23 3ibi n GLY 196 N 3.06 4.69 2.72 0.56 0.00 0.17 -4.84 105.19 111.55 3ibi n GLY 196 Ca 0.06 -0.86 -0.18 0.00 0.00 0.00 0.00 46.02 45.04 3ibi n GLY 196 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ibi n SER 197 N 0.00 0.18 -4.79 1.61 3.41 -1.10 -2.37 113.62 110.56 3ibi n SER 197 Ca 0.00 -2.82 -0.35 0.00 -0.26 0.00 0.00 58.87 55.44 3ibi n SER 197 Cb 0.00 1.16 -0.04 0.00 -0.26 0.00 0.00 64.21 65.07 3ibi n SER 197 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ibi s LEU 198 N 0.00 3.96 0.00 1.04 1.43 -0.52 -4.48 118.68 120.10 3ibi s LEU 198 Ca 0.26 1.96 0.27 0.00 -1.03 0.00 0.00 54.13 55.59 3ibi s LEU 198 Cb 0.01 -4.42 0.82 0.00 0.03 0.00 0.00 46.19 42.63 3ibi s LEU 198 CO 0.19 -0.65 1.61 0.35 0.23 0.00 0.00 176.35 178.08 3ibi n THR 199 N -0.61 0.01 -4.31 5.49 -2.24 -1.26 -4.40 114.28 106.95 3ibi n THR 199 Ca 0.08 -0.32 -0.22 0.00 -2.27 0.00 0.00 64.05 61.31 3ibi n THR 199 Cb 0.51 0.75 -0.12 0.00 -2.10 0.00 0.00 70.33 69.38 3ibi n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3ibi s THR 200 N -1.99 1.76 0.57 4.28 -4.23 -1.26 -4.71 115.64 110.05 3ibi s THR 200 Ca 0.35 -1.77 -0.19 0.00 -1.18 0.00 0.00 61.69 58.90 3ibi s THR 200 Cb 0.21 -1.72 -0.06 0.00 1.34 0.00 0.00 72.50 72.26 3ibi s THR 200 CO 0.32 -0.23 0.91 -2.65 -0.54 0.00 0.00 174.62 172.44 3ibi n PRO 201 N 0.60 0.91 0.00 3.99 -0.02 -1.26 -0.21 135.00 139.01 3ibi n PRO 201 Ca -0.16 0.35 0.02 0.00 -2.02 0.00 0.00 63.50 61.70 3ibi n PRO 201 Cb 0.56 -2.08 0.15 0.00 -0.02 0.00 0.00 33.50 32.10 3ibi n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3ibi n PRO 202 N -0.70 0.56 -3.50 0.52 -0.04 -1.26 -4.98 135.00 125.59 3ibi n PRO 202 Ca 0.13 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.33 3ibi n PRO 202 Cb 0.46 -1.14 0.01 0.00 -0.04 0.00 0.00 33.50 32.79 3ibi n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3ibi n LEU 203 N -0.64 -1.97 -4.76 1.53 4.77 0.71 -4.90 117.00 111.74 3ibi n LEU 203 Ca 0.04 -0.51 -0.41 0.00 -0.03 0.00 0.00 56.01 55.10 3ibi n LEU 203 Cb 0.02 -2.35 -0.02 0.00 -2.33 0.00 0.00 43.42 38.74 3ibi n LEU 203 CO 0.03 0.25 1.08 -0.76 -1.33 0.00 0.00 177.39 176.66 3ibi s LEU 204 N -6.76 4.38 -1.25 2.23 1.43 -1.26 -4.41 118.68 113.03 3ibi s LEU 204 Ca 0.47 2.77 -0.08 0.00 -1.03 0.00 0.00 54.13 56.26 3ibi s LEU 204 Cb -0.24 -3.64 0.19 0.00 0.03 0.00 0.00 46.19 42.52 3ibi s LEU 204 CO 0.58 -0.70 1.85 -0.62 0.23 0.00 0.00 176.35 177.69 3ibi n GLU 205 N 1.46 3.79 0.00 1.70 1.02 -1.26 -1.44 120.64 125.91 3ibi n GLU 205 Ca 0.04 -3.67 0.00 0.00 -0.02 0.00 0.00 57.16 53.51 3ibi n GLU 205 Cb 0.40 -2.85 0.00 0.00 -0.02 0.00 0.00 31.44 28.97 3ibi n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ibi s VAL 207 N -0.90 4.52 -0.42 0.00 1.01 -1.00 -0.62 120.40 122.98 3ibi s VAL 207 Ca 0.00 -0.14 -0.15 0.00 0.00 0.00 0.00 61.98 61.68 3ibi s VAL 207 Cb 0.00 -2.99 0.03 0.00 0.00 0.00 0.00 36.38 33.41 3ibi s VAL 207 CO 0.00 0.51 0.33 -0.89 0.00 0.00 0.00 175.10 175.04 3ibi s THR 208 N 0.04 5.24 0.07 3.92 2.01 -0.27 0.42 115.64 127.07 3ibi s THR 208 Ca 0.04 -0.67 -0.25 0.00 0.31 0.00 0.00 61.69 61.12 3ibi s THR 208 Cb -0.13 -3.97 -0.06 0.00 0.01 0.00 0.00 72.50 68.36 3ibi s THR 208 CO 0.01 -0.36 0.75 0.26 -0.69 0.00 0.00 174.62 174.60 3ibi s TRP 209 N 1.73 3.78 -0.30 4.92 0.52 -0.19 -2.43 118.94 126.98 3ibi s TRP 209 Ca 0.06 1.49 -0.00 0.00 0.02 0.00 0.00 56.10 57.67 3ibi s TRP 209 Cb -0.19 -2.78 0.09 0.00 -1.15 0.00 0.00 33.47 29.44 3ibi s TRP 209 CO 0.10 0.35 0.07 0.42 0.02 0.00 0.00 176.95 177.92 3ibi s ILE 210 N -0.39 1.10 -0.27 2.03 1.01 -0.71 -2.30 121.20 121.66 3ibi s ILE 210 Ca 0.37 -1.44 -0.08 0.00 0.00 0.00 0.00 60.65 59.50 3ibi s ILE 210 Cb -0.21 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.48 3ibi s ILE 210 CO 0.23 -0.57 0.09 -0.69 0.00 0.00 0.00 174.94 174.01 3ibi s VAL 211 N 1.52 4.35 0.32 2.92 1.01 -0.06 -0.23 120.40 130.24 3ibi s VAL 211 Ca 0.07 -0.31 -0.28 0.00 0.00 0.00 0.00 61.98 61.46 3ibi s VAL 211 Cb -0.18 -3.11 -0.10 0.00 0.00 0.00 0.00 36.38 32.99 3ibi s VAL 211 CO -0.20 0.23 1.21 -0.76 0.00 0.00 0.00 175.10 175.58 3ibi s LEU 212 N 1.60 4.43 0.10 3.92 1.43 -0.26 -0.98 118.68 128.91 3ibi s LEU 212 Ca 0.05 2.47 -0.13 0.00 -1.03 0.00 0.00 54.13 55.49 3ibi s LEU 212 Cb -0.16 -3.71 -0.14 0.00 0.03 0.00 0.00 46.19 42.21 3ibi s LEU 212 CO 0.04 -0.42 1.32 0.50 0.23 0.00 0.00 176.35 178.02 3ibi h LYS 213 N 3.40 0.77 -5.92 1.70 3.64 -1.54 -3.42 116.57 115.20 3ibi h LYS 213 Ca -0.48 -0.59 -0.59 0.00 -1.27 0.00 0.00 60.65 57.72 3ibi h LYS 213 Cb 1.22 0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 33.07 3ibi h LYS 213 CO 0.65 1.20 0.60 -2.00 -2.27 0.00 0.00 179.45 177.64 3ibi s GLU 214 N -3.84 4.19 0.53 1.90 2.12 -1.26 -5.00 118.70 117.33 3ibi s GLU 214 Ca -0.11 1.07 -0.10 0.00 0.36 0.00 0.00 54.97 56.19 3ibi s GLU 214 Cb 0.08 -3.65 -0.05 0.00 0.26 0.00 0.00 34.13 30.77 3ibi s GLU 214 CO 0.89 -0.59 0.90 -1.25 -0.54 0.00 0.00 175.26 174.67 3ibi s PRO 215 N 3.02 3.65 0.16 4.30 0.04 -1.26 -4.68 135.00 140.23 3ibi s PRO 215 Ca 0.38 0.54 0.01 0.00 0.04 0.00 0.00 61.00 61.97 3ibi s PRO 215 Cb -0.15 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 3ibi s PRO 215 CO 0.08 -0.33 0.32 0.96 0.04 0.00 0.00 177.00 178.07 3ibi s ILE 216 N -2.84 5.28 -0.13 0.56 -4.36 -0.14 -4.91 121.20 114.66 3ibi s ILE 216 Ca 0.52 -0.51 -0.07 0.00 -0.26 0.00 0.00 60.65 60.33 3ibi s ILE 216 Cb -0.11 -3.72 -0.04 0.00 1.25 0.00 0.00 42.46 39.84 3ibi s ILE 216 CO 0.45 -0.10 0.12 -0.44 0.24 0.00 0.00 174.94 175.21 3ibi s SER 217 N -3.12 6.19 0.11 4.36 0.01 -1.26 -1.60 113.70 118.39 3ibi s SER 217 Ca 0.36 0.37 0.06 0.00 1.31 0.00 0.00 55.95 58.05 3ibi s SER 217 Cb -0.11 -2.00 -0.04 0.00 0.21 0.00 0.00 66.02 64.08 3ibi s SER 217 CO 0.29 0.35 -0.14 0.68 0.41 0.00 0.00 173.24 174.83 3ibi s VAL 218 N -0.70 1.27 0.60 3.43 -7.23 -0.30 -3.18 120.40 114.30 3ibi s VAL 218 Ca 0.13 -1.61 -0.12 0.00 -1.81 0.00 0.00 61.98 58.57 3ibi s VAL 218 Cb -0.12 -1.41 -0.05 0.00 0.56 0.00 0.00 36.38 35.36 3ibi s VAL 218 CO 0.03 -0.36 1.02 -0.94 -0.31 0.00 0.00 175.10 174.53 3ibi s SER 219 N -2.26 6.30 0.30 4.85 1.04 -1.17 -0.34 113.70 122.43 3ibi s SER 219 Ca 0.06 1.46 -0.01 0.00 0.48 0.00 0.00 55.95 57.94 3ibi s SER 219 Cb -0.06 -2.48 0.48 0.00 0.10 0.00 0.00 66.02 64.06 3ibi s SER 219 CO 0.03 -0.82 1.95 -1.28 0.98 0.00 0.00 173.24 174.11 3ibi h SER 220 N -0.06 0.92 -0.69 7.02 0.87 -1.92 -1.78 113.55 117.91 3ibi h SER 220 Ca -0.45 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.07 3ibi h SER 220 Cb 1.19 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.90 3ibi h SER 220 CO 0.62 0.65 0.31 -0.33 -0.53 0.00 0.00 176.83 177.54 3ibi h GLU 221 N 1.08 1.01 -0.12 2.24 3.07 -1.95 -0.11 114.58 119.80 3ibi h GLU 221 Ca 0.32 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 59.01 3ibi h GLU 221 Cb -0.03 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.70 3ibi h GLU 221 CO -0.09 0.81 0.04 1.96 -1.40 0.00 0.00 179.01 180.34 3ibi h GLN 222 N 0.97 0.18 -0.00 2.33 4.20 -1.72 -2.62 115.11 118.45 3ibi h GLN 222 Ca 0.23 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.81 3ibi h GLN 222 Cb 0.15 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3ibi h GLN 222 CO -0.03 0.31 -0.45 -0.24 -0.67 0.00 0.00 178.83 177.75 3ibi h VAL 223 N 0.03 1.33 -0.20 -0.54 3.04 -1.31 -2.42 116.25 116.18 3ibi h VAL 223 Ca 0.04 -1.56 -0.02 0.00 -1.01 0.00 0.00 66.70 64.15 3ibi h VAL 223 Cb 0.19 1.83 -0.01 0.00 -2.01 0.00 0.00 31.29 31.30 3ibi h VAL 223 CO -0.00 0.45 0.02 -0.07 -1.01 0.00 0.00 177.57 176.95 3ibi h LEU 224 N 0.01 0.26 -0.66 3.16 3.38 -0.80 -1.52 115.31 119.13 3ibi h LEU 224 Ca -0.00 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 3ibi h LEU 224 Cb 0.80 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3ibi h LEU 224 CO 0.06 0.29 -0.66 0.11 0.09 0.00 0.00 178.44 178.33 3ibi h LYS 225 N 0.28 0.02 -0.66 1.13 1.57 -1.07 -2.69 116.57 115.16 3ibi h LYS 225 Ca 0.07 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 3ibi h LYS 225 Cb 0.17 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 3ibi h LYS 225 CO 0.00 0.68 0.42 0.74 -0.57 0.00 0.00 179.45 180.72 3ibi h PHE 226 N 0.01 0.79 0.00 -1.35 -1.00 -1.17 -2.02 116.94 112.21 3ibi h PHE 226 Ca -0.01 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.79 3ibi h PHE 226 Cb 1.18 -0.26 0.00 0.00 3.61 0.00 0.00 35.95 40.48 3ibi h PHE 226 CO 0.00 0.47 0.00 0.54 -1.61 0.00 0.00 178.31 177.71 3ibi n ARG 227 N -4.67 0.24 0.00 1.51 1.74 -0.96 -2.35 116.66 112.17 3ibi n ARG 227 Ca 0.06 0.13 0.12 0.00 -0.77 0.00 0.00 57.85 57.39 3ibi n ARG 227 Cb 0.06 -1.50 0.28 0.00 -1.02 0.00 0.00 32.46 30.27 3ibi n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3ibi n LYS 228 N -1.26 0.07 -0.99 5.56 5.02 -0.76 -4.40 118.16 121.40 3ibi n LYS 228 Ca 0.08 -0.04 -0.30 0.00 -2.02 0.00 0.00 58.31 56.03 3ibi n LYS 228 Cb 0.12 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 33.79 3ibi n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ibi s LEU 229 N -2.96 2.07 0.04 -0.35 1.43 -0.99 -4.85 118.68 113.07 3ibi s LEU 229 Ca 0.12 1.62 0.08 0.00 -1.03 0.00 0.00 54.13 54.92 3ibi s LEU 229 Cb 0.18 -3.93 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 3ibi s LEU 229 CO 0.68 -3.03 -0.24 0.20 0.23 0.00 0.00 176.35 174.19 3ibi s ASN 230 N -3.11 2.86 0.06 2.29 0.02 0.98 -0.40 114.94 117.63 3ibi s ASN 230 Ca 0.65 -0.55 -0.07 0.00 -1.02 0.00 0.00 52.86 51.87 3ibi s ASN 230 Cb -0.20 -0.26 -0.30 0.00 0.02 0.00 0.00 41.25 40.51 3ibi s ASN 230 CO 0.59 0.22 1.07 -0.26 0.02 0.00 0.00 177.10 178.74 3ibi h PHE 231 N 4.88 0.60 -4.25 2.20 0.05 -1.39 -3.34 116.94 115.69 3ibi h PHE 231 Ca -0.44 -0.43 -0.50 0.00 3.82 0.00 0.00 57.97 60.41 3ibi h PHE 231 Cb 1.15 -0.02 0.12 0.00 2.00 0.00 0.00 35.95 39.19 3ibi h PHE 231 CO 0.48 1.36 0.32 0.54 -0.18 0.00 0.00 178.31 180.83 3ibi s ASN 232 N -7.22 4.44 0.58 2.17 4.22 -1.26 -4.31 114.94 113.56 3ibi s ASN 232 Ca -0.06 1.52 -0.05 0.00 -2.14 0.00 0.00 52.86 52.13 3ibi s ASN 232 Cb 0.06 -2.26 0.01 0.00 1.28 0.00 0.00 41.25 40.34 3ibi s ASN 232 CO 0.89 -2.03 0.88 -0.83 -2.04 0.00 0.00 177.10 173.97 3ibi s GLY 233 N -3.66 1.62 0.29 0.45 0.00 -1.26 -1.04 107.32 103.71 3ibi s GLY 233 Ca 0.61 -0.81 -0.30 0.00 0.00 0.00 0.00 44.72 44.22 3ibi s GLY 233 CO 0.55 -0.53 1.43 -2.21 0.00 0.00 0.00 173.10 172.35 3ibi n GLU 234 N -2.54 2.28 -0.80 2.90 2.13 -1.26 -2.08 120.64 121.27 3ibi n GLU 234 Ca 0.05 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.67 3ibi n GLU 234 Cb 0.58 -2.48 0.00 0.00 0.27 0.00 0.00 31.44 29.81 3ibi n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ibi n GLY 235 N 1.70 0.63 3.70 8.31 0.00 -1.26 -5.05 105.19 113.22 3ibi n GLY 235 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 3ibi n GLY 235 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ibi s GLU 236 N -0.20 2.34 0.27 1.61 2.56 -0.88 -5.07 118.70 119.32 3ibi s GLU 236 Ca 0.00 -1.53 -0.31 0.00 0.00 0.00 0.00 54.97 53.13 3ibi s GLU 236 Cb 0.00 -2.15 -0.12 0.00 2.00 0.00 0.00 34.13 33.85 3ibi s GLU 236 CO 0.00 0.18 1.53 -2.30 -0.56 0.00 0.00 175.26 174.11 3ibi n PRO 237 N -1.07 2.44 -2.22 4.30 -0.02 -1.26 -4.88 135.00 132.29 3ibi n PRO 237 Ca -0.04 0.87 -0.42 0.00 -2.02 0.00 0.00 63.50 61.89 3ibi n PRO 237 Cb 0.61 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 3ibi n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3ibi s GLU 238 N -0.34 4.27 -0.25 -0.52 2.12 -1.26 -4.76 118.70 117.96 3ibi s GLU 238 Ca 0.67 1.96 -0.00 0.00 0.36 0.00 0.00 54.97 57.95 3ibi s GLU 238 Cb -0.56 -3.63 0.07 0.00 0.26 0.00 0.00 34.13 30.28 3ibi s GLU 238 CO 0.48 -0.61 0.01 -1.21 -0.54 0.00 0.00 175.26 173.39 3ibi s GLU 239 N 2.64 1.16 0.34 4.30 2.02 -1.26 -5.06 118.70 122.83 3ibi s GLU 239 Ca 0.64 -0.96 -0.28 0.00 0.02 0.00 0.00 54.97 54.39 3ibi s GLU 239 Cb -0.31 -2.38 -0.12 0.00 0.10 0.00 0.00 34.13 31.42 3ibi s GLU 239 CO 0.26 -0.73 1.34 1.28 0.02 0.00 0.00 175.26 177.42 3ibi n LEU 240 N 4.77 3.72 -4.53 1.80 4.77 -1.26 -1.16 117.00 125.10 3ibi n LEU 240 Ca -0.07 1.20 -0.42 0.00 -0.03 0.00 0.00 56.01 56.69 3ibi n LEU 240 Cb 0.44 -1.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.00 3ibi n LEU 240 CO 0.15 -0.37 1.29 -0.32 -1.33 0.00 0.00 177.39 176.81 3ibi s MET 241 N -1.72 3.48 0.05 3.23 -2.45 0.46 -4.59 119.30 117.76 3ibi s MET 241 Ca 0.57 -1.04 -0.03 0.00 -1.25 0.00 0.00 55.69 53.94 3ibi s MET 241 Cb -0.56 -4.98 -0.03 0.00 1.25 0.00 0.00 34.83 30.51 3ibi s MET 241 CO 0.61 -2.10 0.03 0.14 1.05 0.00 0.00 175.02 174.75 3ibi s VAL 242 N 4.68 0.19 -1.39 10.11 -7.23 -1.26 -4.45 120.40 121.04 3ibi s VAL 242 Ca 0.40 -1.57 -0.06 0.00 -1.81 0.00 0.00 61.98 58.95 3ibi s VAL 242 Cb -0.04 -1.35 0.03 0.00 0.56 0.00 0.00 36.38 35.58 3ibi s VAL 242 CO -0.04 -0.86 0.84 0.47 -0.31 0.00 0.00 175.10 175.20 3ibi n ASP 243 N 0.22 -2.82 -2.64 4.85 10.43 0.12 -4.84 116.55 121.86 3ibi n ASP 243 Ca -0.15 -0.78 -0.32 0.00 2.57 0.00 0.00 54.79 56.10 3ibi n ASP 243 Cb 0.61 -4.08 -0.01 0.00 1.84 0.00 0.00 41.12 39.47 3ibi n ASP 243 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 3ibi n ASN 244 N -2.97 6.91 -4.31 -2.24 6.94 -1.04 -4.90 115.26 113.65 3ibi n ASN 244 Ca -0.16 -3.46 -0.26 0.00 -0.02 0.00 0.00 54.58 50.68 3ibi n ASN 244 Cb 0.62 -1.16 -0.13 0.00 -2.36 0.00 0.00 39.78 36.74 3ibi n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 3ibi s TRP 245 N -2.69 1.98 -0.11 -2.53 1.48 -1.26 -4.59 118.94 111.21 3ibi s TRP 245 Ca 0.56 -0.40 -0.11 0.00 -1.06 0.00 0.00 56.10 55.09 3ibi s TRP 245 Cb 0.41 -1.12 -0.05 0.00 -1.16 0.00 0.00 33.47 31.55 3ibi s TRP 245 CO -0.29 0.20 0.24 0.50 -4.06 0.00 0.00 176.95 173.53 3ibi s ARG 246 N -1.67 3.86 0.91 3.25 3.52 -1.26 -4.98 118.95 122.58 3ibi s ARG 246 Ca 0.09 0.04 -0.12 0.00 -0.13 0.00 0.00 55.73 55.61 3ibi s ARG 246 Cb -0.10 -3.29 0.14 0.00 -1.56 0.00 0.00 34.95 30.15 3ibi s ARG 246 CO 0.04 0.56 1.10 -1.25 -0.81 0.00 0.00 175.30 174.94 3ibi s PRO 247 N -0.48 1.12 0.36 5.12 0.04 -1.26 -4.60 135.00 135.29 3ibi s PRO 247 Ca 0.17 0.60 -0.28 0.00 0.04 0.00 0.00 61.00 61.52 3ibi s PRO 247 Cb -0.13 -1.81 -0.11 0.00 0.04 0.00 0.00 34.50 32.49 3ibi s PRO 247 CO 0.05 -2.28 1.49 0.00 0.04 0.00 0.00 177.00 176.30 3ibi n ALA 248 N -3.88 2.30 -2.39 8.56 0.00 -1.26 -4.31 120.51 119.53 3ibi n ALA 248 Ca 0.06 0.35 -0.22 0.00 0.00 0.00 0.00 53.44 53.63 3ibi n ALA 248 Cb 0.57 -2.41 -0.05 0.00 0.00 0.00 0.00 19.45 17.56 3ibi n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3ibi s GLN 249 N -1.84 2.49 0.23 0.00 -1.52 0.68 -4.93 119.66 114.76 3ibi s GLN 249 Ca 0.55 -1.54 -0.32 0.00 -1.95 0.00 0.00 55.36 52.11 3ibi s GLN 249 Cb -0.49 -2.28 -0.12 0.00 -0.22 0.00 0.00 33.01 29.89 3ibi s GLN 249 CO 0.61 -0.05 1.64 -2.30 -0.25 0.00 0.00 175.29 174.94 3ibi n PRO 250 N -1.36 2.58 0.01 2.91 -0.02 -1.26 -4.56 135.00 133.31 3ibi n PRO 250 Ca 0.00 0.93 -0.05 0.00 -2.02 0.00 0.00 63.50 62.36 3ibi n PRO 250 Cb 0.62 -2.73 0.16 0.00 -0.02 0.00 0.00 33.50 31.53 3ibi n PRO 250 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ibi h LEU 251 N 5.84 0.51 0.00 2.45 5.85 -1.95 -3.43 115.31 124.58 3ibi h LEU 251 Ca -0.45 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.08 3ibi h LEU 251 Cb 1.22 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3ibi h LEU 251 CO 0.88 0.80 0.00 0.29 -0.34 0.00 0.00 178.44 180.08 3ibi n LYS 252 N -4.07 0.00 -1.13 1.25 5.02 -1.26 -3.25 118.16 114.71 3ibi n LYS 252 Ca -0.01 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.95 3ibi n LYS 252 Cb 0.46 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.43 3ibi n LYS 252 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3ibi n ASN 253 N -0.23 7.52 -4.05 4.39 3.02 -1.26 -4.88 115.26 119.77 3ibi n ASN 253 Ca 0.00 -2.49 -0.09 0.00 -0.03 0.00 0.00 54.58 51.96 3ibi n ASN 253 Cb 0.00 -1.42 -0.11 0.00 -0.61 0.00 0.00 39.78 37.64 3ibi n ASN 253 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3ibi s ARG 254 N 2.42 0.49 -0.04 3.52 0.52 -1.20 -5.10 118.95 119.56 3ibi s ARG 254 Ca 0.61 -0.88 0.04 0.00 -0.52 0.00 0.00 55.73 54.98 3ibi s ARG 254 Cb 0.17 0.02 -0.00 0.00 0.52 0.00 0.00 34.95 35.65 3ibi s ARG 254 CO -0.05 -0.04 -0.16 -0.65 0.02 0.00 0.00 175.30 174.42 3ibi s GLN 255 N -2.41 1.59 -0.20 3.54 -0.21 -1.26 -5.04 119.66 115.68 3ibi s GLN 255 Ca -0.06 -0.55 -0.13 0.00 0.02 0.00 0.00 55.36 54.65 3ibi s GLN 255 Cb -0.04 -1.41 -0.05 0.00 1.00 0.00 0.00 33.01 32.52 3ibi s GLN 255 CO -0.04 0.23 0.26 0.42 -2.12 0.00 0.00 175.29 174.04 3ibi s ILE 256 N 0.04 5.31 0.00 1.08 1.01 -1.26 -4.73 121.20 122.66 3ibi s ILE 256 Ca -0.03 0.44 -0.01 0.00 0.00 0.00 0.00 60.65 61.06 3ibi s ILE 256 Cb -0.11 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 3ibi s ILE 256 CO 0.02 0.35 0.11 -0.54 0.00 0.00 0.00 174.94 174.88 3ibi s LYS 257 N 0.81 3.14 -0.04 2.79 -0.14 -0.55 -2.03 119.74 123.73 3ibi s LYS 257 Ca 0.14 -0.47 0.01 0.00 -1.36 0.00 0.00 55.97 54.29 3ibi s LYS 257 Cb -0.13 -2.91 -0.03 0.00 -1.68 0.00 0.00 37.83 33.08 3ibi s LYS 257 CO 0.04 0.64 -0.05 0.00 -0.76 0.00 0.00 175.35 175.23 3ibi s ALA 258 N -1.25 3.08 -1.66 5.17 0.00 0.70 -0.71 121.76 127.08 3ibi s ALA 258 Ca 0.25 -0.93 0.28 0.00 0.00 0.00 0.00 51.96 51.56 3ibi s ALA 258 Cb -0.12 -1.25 1.04 0.00 0.00 0.00 0.00 23.12 22.79 3ibi s ALA 258 CO 0.16 0.60 1.75 -1.13 0.00 0.00 0.00 175.76 177.14 3ibi n SER 259 N 1.88 0.66 0.00 0.00 3.41 -0.24 -0.80 113.62 118.52 3ibi n SER 259 Ca -0.17 -0.66 0.00 0.00 -0.26 0.00 0.00 58.87 57.78 3ibi n SER 259 Cb 0.53 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 3ibi n SER 259 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10