#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ibb n ILE 11 N 0.00 0.00 -0.33 0.53 3.06 -1.26 -4.52 119.36 116.84 3ibb n ILE 11 Ca 0.00 0.00 0.01 0.00 -2.50 0.00 0.00 62.75 60.26 3ibb n ILE 11 Cb 0.00 -0.32 0.18 0.00 0.54 0.00 0.00 39.64 40.04 3ibb n ILE 11 CO 0.00 0.00 0.00 0.45 -2.50 0.00 0.00 176.55 174.50 3ibb h HIS 12 N 0.00 1.15 -4.33 9.51 3.86 -2.03 -3.35 115.15 119.96 3ibb h HIS 12 Ca 0.00 0.03 -0.50 0.00 -1.16 0.00 0.00 60.37 58.74 3ibb h HIS 12 Cb 0.45 -0.38 0.10 0.00 1.06 0.00 0.00 27.41 28.63 3ibb h HIS 12 CO 0.00 0.68 0.36 0.95 0.86 0.00 0.00 177.93 180.78 3ibb s THR 13 N -6.01 3.66 0.08 2.45 -4.23 -1.26 -4.91 115.64 105.43 3ibb s THR 13 Ca -0.12 0.54 -0.21 0.00 -1.18 0.00 0.00 61.69 60.72 3ibb s THR 13 Cb 0.19 -3.32 -0.10 0.00 1.34 0.00 0.00 72.50 70.61 3ibb s THR 13 CO 0.81 -0.71 1.62 0.74 -0.54 0.00 0.00 174.62 176.54 3ibb h THR 14 N -0.83 1.16 -0.59 3.99 2.02 -1.98 -1.64 112.91 115.03 3ibb h THR 14 Ca -0.45 -0.47 -0.05 0.00 0.77 0.00 0.00 66.41 66.21 3ibb h THR 14 Cb 1.23 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 68.80 3ibb h THR 14 CO 0.59 0.15 0.17 0.00 0.37 0.00 0.00 175.52 176.79 3ibb h ALA 15 N 0.90 1.19 -0.35 6.16 0.00 -1.94 -2.30 119.26 122.92 3ibb h ALA 15 Ca 0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3ibb h ALA 15 Cb 0.18 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3ibb h ALA 15 CO -0.00 0.56 0.15 0.78 0.00 0.00 0.00 179.25 180.74 3ibb h GLY 16 N 1.00 0.55 1.01 0.00 0.00 -1.78 -0.58 103.07 103.28 3ibb h GLY 16 Ca 0.19 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 3ibb h GLY 16 CO -0.01 0.27 0.43 0.50 0.00 0.00 0.00 176.54 177.73 3ibb h LYS 17 N 0.42 1.09 -0.47 4.80 1.57 -1.04 0.34 116.57 123.28 3ibb h LYS 17 Ca 0.12 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3ibb h LYS 17 Cb 0.15 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3ibb h LYS 17 CO -0.01 0.81 0.25 1.25 -0.57 0.00 0.00 179.45 181.17 3ibb h LEU 18 N 1.09 0.60 -1.25 2.94 6.46 -1.24 0.58 115.31 124.49 3ibb h LEU 18 Ca 0.28 -0.11 -0.06 0.00 -0.12 0.00 0.00 57.88 57.87 3ibb h LEU 18 Cb 0.03 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 3ibb h LEU 18 CO -0.04 0.54 -0.09 0.00 -0.62 0.00 0.00 178.44 178.22 3ibb h ALA 19 N 1.09 1.38 -0.80 1.25 0.00 0.44 0.39 119.26 123.01 3ibb h ALA 19 Ca 0.17 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3ibb h ALA 19 Cb 0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3ibb h ALA 19 CO -0.02 0.43 0.53 0.22 0.00 0.00 0.00 179.25 180.40 3ibb h ASP 20 N 0.38 0.88 -0.58 0.00 3.58 0.39 -2.67 116.42 118.41 3ibb h ASP 20 Ca 0.08 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.49 3ibb h ASP 20 Cb 0.40 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 3ibb h ASP 20 CO 0.02 0.62 0.26 0.25 -2.88 0.00 0.00 179.24 177.51 3ibb h LEU 21 N 1.03 0.77 -0.99 2.28 5.85 0.20 -2.40 115.31 122.06 3ibb h LEU 21 Ca 0.31 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 3ibb h LEU 21 Cb -0.03 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 3ibb h LEU 21 CO -0.08 0.70 0.26 0.03 -0.34 0.00 0.00 178.44 179.01 3ibb h ARG 22 N 0.79 0.99 -0.34 1.25 3.08 -1.06 -2.24 114.38 116.85 3ibb h ARG 22 Ca 0.20 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 3ibb h ARG 22 Cb 0.15 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3ibb h ARG 22 CO -0.02 0.81 0.13 -0.09 -1.07 0.00 0.00 179.97 179.72 3ibb h ARG 23 N 0.97 0.51 -0.42 0.04 1.12 -1.18 -2.03 114.38 113.38 3ibb h ARG 23 Ca 0.23 -0.10 -0.06 0.00 -1.11 0.00 0.00 59.98 58.93 3ibb h ARG 23 Cb 0.19 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.05 3ibb h ARG 23 CO -0.02 0.52 0.00 0.00 -3.11 0.00 0.00 179.97 177.36 3ibb h ARG 24 N 0.40 0.68 -0.74 0.20 3.08 -1.45 -3.01 114.38 113.53 3ibb h ARG 24 Ca 0.11 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 60.02 3ibb h ARG 24 Cb 0.21 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 3ibb h ARG 24 CO -0.01 0.69 0.48 0.97 -1.07 0.00 0.00 179.97 181.03 3ibb h ILE 25 N 0.64 1.14 -0.61 2.04 6.09 -0.87 -0.35 117.51 125.59 3ibb h ILE 25 Ca 0.13 -0.32 -0.06 0.00 -1.37 0.00 0.00 64.86 63.24 3ibb h ILE 25 Cb 0.40 0.11 -0.03 0.00 0.47 0.00 0.00 36.82 37.77 3ibb h ILE 25 CO 0.01 0.17 0.15 -0.08 -3.07 0.00 0.00 178.15 175.34 3ibb h GLU 26 N 0.95 0.95 -0.76 2.19 4.81 -1.32 -1.42 114.58 119.98 3ibb h GLU 26 Ca 0.28 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3ibb h GLU 26 Cb -0.04 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.17 3ibb h GLU 26 CO -0.09 0.85 0.49 0.93 -0.73 0.00 0.00 179.01 180.46 3ibb h GLU 27 N 0.91 1.01 0.08 1.92 5.08 -0.97 0.12 114.58 122.74 3ibb h GLU 27 Ca 0.20 -0.07 -0.18 0.00 -1.00 0.00 0.00 59.36 58.30 3ibb h GLU 27 Cb 0.32 -0.22 0.02 0.00 0.50 0.00 0.00 28.75 29.37 3ibb h GLU 27 CO -0.00 0.68 -0.77 0.00 -1.00 0.00 0.00 179.01 177.93 3ibb h ALA 28 N 1.50 -0.02 -0.50 3.43 0.00 -0.30 1.27 119.26 124.64 3ibb h ALA 28 Ca 0.28 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 3ibb h ALA 28 Cb -0.10 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3ibb h ALA 28 CO -0.06 0.39 0.22 1.79 0.00 0.00 0.00 179.25 181.59 3ibb h THR 29 N -0.20 1.18 -0.52 0.00 1.35 -1.22 -3.04 112.91 110.46 3ibb h THR 29 Ca -0.12 -0.54 -0.16 0.00 -0.55 0.00 0.00 66.41 65.04 3ibb h THR 29 Cb 1.53 0.56 -0.10 0.00 -1.73 0.00 0.00 68.15 68.42 3ibb h THR 29 CO 0.15 0.22 0.13 1.41 -0.25 0.00 0.00 175.52 177.17 3ibb n HIS 30 N -4.36 1.71 -0.29 4.73 8.25 0.42 -4.81 115.22 120.87 3ibb n HIS 30 Ca 0.04 -1.25 -0.04 0.00 -0.26 0.00 0.00 57.72 56.21 3ibb n HIS 30 Cb 0.14 -0.55 0.08 0.00 1.12 0.00 0.00 29.99 30.78 3ibb n HIS 30 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ibb h ALA 31 N 1.90 1.02 -2.45 -1.41 0.00 0.17 -3.44 119.26 115.04 3ibb h ALA 31 Ca 0.20 -0.05 -0.48 0.00 0.00 0.00 0.00 54.91 54.58 3ibb h ALA 31 Cb 1.94 -0.32 0.03 0.00 0.00 0.00 0.00 17.79 19.45 3ibb h ALA 31 CO 0.53 0.42 0.41 0.20 0.00 0.00 0.00 179.25 180.80 3ibb s GLY 32 N -2.94 2.62 0.34 0.00 0.00 -1.26 -4.94 107.32 101.15 3ibb s GLY 32 Ca -0.13 0.70 -0.29 0.00 0.00 0.00 0.00 44.72 45.00 3ibb s GLY 32 CO 0.79 1.07 1.43 -1.14 0.00 0.00 0.00 173.10 175.24 3ibb n SER 33 N -0.68 3.32 -0.15 1.64 3.41 -1.26 -4.78 113.62 115.13 3ibb n SER 33 Ca 0.08 1.20 -0.01 0.00 -0.26 0.00 0.00 58.87 59.88 3ibb n SER 33 Cb 0.51 -1.55 0.24 0.00 -0.26 0.00 0.00 64.21 63.15 3ibb n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ibb h ALA 34 N 3.23 1.37 -0.54 7.33 0.00 -1.92 0.30 119.26 129.04 3ibb h ALA 34 Ca -0.48 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.27 3ibb h ALA 34 Cb 1.26 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3ibb h ALA 34 CO 0.67 0.49 0.19 -0.09 0.00 0.00 0.00 179.25 180.52 3ibb h ARG 35 N 0.86 0.78 -0.84 0.00 2.43 -2.01 -2.91 114.38 112.69 3ibb h ARG 35 Ca 0.21 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 3ibb h ARG 35 Cb 0.09 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 3ibb h ARG 35 CO -0.03 0.66 0.43 0.00 -1.51 0.00 0.00 179.97 179.52 3ibb h ALA 36 N 1.44 1.09 -0.44 2.80 0.00 -0.76 -0.99 119.26 122.40 3ibb h ALA 36 Ca 0.18 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3ibb h ALA 36 Cb 0.19 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3ibb h ALA 36 CO -0.01 0.63 0.02 0.28 0.00 0.00 0.00 179.25 180.16 3ibb h VAL 37 N 1.19 1.23 -0.45 0.00 2.07 -1.33 -1.75 116.25 117.21 3ibb h VAL 37 Ca 0.29 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 66.91 3ibb h VAL 37 Cb 0.08 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3ibb h VAL 37 CO -0.04 0.32 0.30 -0.33 0.02 0.00 0.00 177.57 177.83 3ibb h GLU 38 N 0.67 0.59 -0.42 1.57 5.08 -1.01 -1.55 114.58 119.51 3ibb h GLU 38 Ca 0.14 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.35 3ibb h GLU 38 Cb 0.39 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3ibb h GLU 38 CO 0.01 0.39 -0.18 -0.22 -1.00 0.00 0.00 179.01 178.01 3ibb h LYS 39 N 0.60 0.81 -0.74 2.33 3.64 -1.36 -2.21 116.57 119.65 3ibb h LYS 39 Ca 0.17 -0.31 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 3ibb h LYS 39 Cb -0.06 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 3ibb h LYS 39 CO -0.04 0.93 0.31 0.37 -2.27 0.00 0.00 179.45 178.75 3ibb h GLN 40 N 0.71 1.09 -0.70 1.90 5.75 -1.22 -2.76 115.11 119.88 3ibb h GLN 40 Ca 0.11 -0.18 -0.00 0.00 -0.15 0.00 0.00 58.65 58.43 3ibb h GLN 40 Cb 0.69 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 29.02 3ibb h GLN 40 CO 0.05 0.87 0.42 0.45 -2.65 0.00 0.00 178.83 177.97 3ibb h HIS 41 N 1.07 0.91 -0.75 3.99 3.86 -1.05 -2.81 115.15 120.38 3ibb h HIS 41 Ca 0.25 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.41 3ibb h HIS 41 Cb 0.17 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.31 3ibb h HIS 41 CO 0.02 0.60 0.26 0.00 0.86 0.00 0.00 177.93 179.67 3ibb h ALA 42 N 1.51 0.98 0.00 2.45 0.00 -1.10 0.29 119.26 123.38 3ibb h ALA 42 Ca 0.25 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3ibb h ALA 42 Cb -0.05 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 3ibb h ALA 42 CO -0.05 0.63 -0.10 0.87 0.00 0.00 0.00 179.25 180.61 3ibb h LYS 43 N 1.10 0.00 0.00 0.00 1.57 -1.45 -3.46 116.57 114.32 3ibb h LYS 43 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3ibb h LYS 43 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3ibb h LYS 43 CO -0.01 0.10 0.00 0.41 -0.57 0.00 0.00 179.45 179.37 3ibb n GLY 44 N -1.20 0.60 3.84 3.86 0.00 0.10 -5.12 105.19 107.28 3ibb n GLY 44 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 3ibb n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ibb s LYS 45 N -0.85 3.42 -0.02 1.61 1.02 -1.15 -4.91 119.74 118.86 3ibb s LYS 45 Ca 0.00 0.90 0.05 0.00 0.02 0.00 0.00 55.97 56.95 3ibb s LYS 45 Cb 0.00 -2.06 -0.01 0.00 -0.52 0.00 0.00 37.83 35.24 3ibb s LYS 45 CO 0.00 -0.71 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.04 3ibb s LEU 46 N -5.02 2.01 0.61 3.17 1.02 -1.26 -3.83 118.68 115.37 3ibb s LEU 46 Ca 0.58 -0.32 -0.20 0.00 0.02 0.00 0.00 54.13 54.22 3ibb s LEU 46 Cb -0.12 -0.89 -0.03 0.00 0.02 0.00 0.00 46.19 45.17 3ibb s LEU 46 CO 0.48 0.20 1.33 0.28 0.02 0.00 0.00 176.35 178.66 3ibb s THR 47 N -0.31 2.01 0.56 5.49 -1.32 -1.26 -4.29 115.64 116.51 3ibb s THR 47 Ca 0.05 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.79 3ibb s THR 47 Cb -0.07 -3.00 0.37 0.00 -1.51 0.00 0.00 72.50 68.28 3ibb s THR 47 CO -0.00 -0.00 2.04 0.00 -2.21 0.00 0.00 174.62 174.45 3ibb h ALA 48 N 0.93 2.15 -0.54 11.08 0.00 -1.93 3.35 119.26 134.29 3ibb h ALA 48 Ca -0.51 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 3ibb h ALA 48 Cb 1.32 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 3ibb h ALA 48 CO 0.55 -0.46 0.21 0.00 0.00 0.00 0.00 179.25 179.55 3ibb h ARG 49 N 0.00 0.79 -0.51 0.00 3.08 -1.92 0.37 114.38 116.19 3ibb h ARG 49 Ca 0.16 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3ibb h ARG 49 Cb 0.73 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 3ibb h ARG 49 CO -0.00 0.66 0.29 0.93 -1.07 0.00 0.00 179.97 180.77 3ibb h GLU 50 N 0.78 0.70 -0.51 0.04 5.08 0.60 -1.88 114.58 119.39 3ibb h GLU 50 Ca 0.18 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 3ibb h GLU 50 Cb 0.17 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3ibb h GLU 50 CO -0.02 0.54 0.03 0.00 -1.00 0.00 0.00 179.01 178.56 3ibb h ARG 51 N 0.68 0.83 0.06 2.33 3.08 -1.21 -1.64 114.38 118.52 3ibb h ARG 51 Ca 0.18 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 3ibb h ARG 51 Cb 0.03 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.98 3ibb h ARG 51 CO -0.03 0.82 -0.03 0.82 -1.07 0.00 0.00 179.97 180.47 3ibb h ILE 52 N 0.78 0.95 -0.63 2.04 1.08 -0.80 -1.76 117.51 119.17 3ibb h ILE 52 Ca 0.16 -0.05 -0.05 0.00 -0.39 0.00 0.00 64.86 64.52 3ibb h ILE 52 Cb 0.42 0.98 -0.03 0.00 -3.07 0.00 0.00 36.82 35.13 3ibb h ILE 52 CO 0.02 0.01 0.18 0.44 -0.69 0.00 0.00 178.15 178.11 3ibb h ASP 53 N -0.11 0.93 -0.53 1.72 3.32 -1.03 -2.04 116.42 118.67 3ibb h ASP 53 Ca -0.01 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 56.79 3ibb h ASP 53 Cb 0.09 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3ibb h ASP 53 CO 0.01 0.90 0.21 0.25 -1.72 0.00 0.00 179.24 178.89 3ibb h LEU 54 N 0.91 0.74 -0.08 1.55 5.85 -1.18 -3.23 115.31 119.87 3ibb h LEU 54 Ca 0.20 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3ibb h LEU 54 Cb 0.32 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 3ibb h LEU 54 CO -0.00 0.71 0.00 0.25 -0.34 0.00 0.00 178.44 179.06 3ibb h LEU 55 N 0.72 0.14-10.25 2.25 5.85 -1.16 -3.46 115.31 109.40 3ibb h LEU 55 Ca 0.18 -0.31 -0.49 0.00 0.84 0.00 0.00 57.88 58.10 3ibb h LEU 55 Cb 0.21 -0.04 0.04 0.00 0.37 0.00 0.00 40.66 41.24 3ibb h LEU 55 CO -0.01 0.41 0.39 -0.76 -0.34 0.00 0.00 178.44 178.12 3ibb s LEU 56 N -9.55 3.47 0.75 2.25 1.43 -0.78 -4.81 118.68 111.44 3ibb s LEU 56 Ca -0.14 1.57 -0.11 0.00 -1.03 0.00 0.00 54.13 54.42 3ibb s LEU 56 Cb 0.05 -4.50 0.04 0.00 0.03 0.00 0.00 46.19 41.81 3ibb s LEU 56 CO 0.69 -0.80 1.08 -1.81 0.23 0.00 0.00 176.35 175.74 3ibb s ASP 57 N -3.36 4.82 0.08 2.29 1.01 0.86 -4.84 116.67 117.53 3ibb s ASP 57 Ca 0.59 1.55 -0.31 0.00 0.71 0.00 0.00 52.55 55.09 3ibb s ASP 57 Cb -0.11 -2.34 -0.09 0.00 1.01 0.00 0.00 42.92 41.38 3ibb s ASP 57 CO 0.39 -1.79 1.82 -0.70 0.21 0.00 0.00 175.17 175.10 3ibb s GLU 58 N -5.04 4.15 -1.28 8.23 2.12 -1.26 0.24 118.70 125.86 3ibb s GLU 58 Ca 0.60 2.52 -0.01 0.00 0.36 0.00 0.00 54.97 58.43 3ibb s GLU 58 Cb -0.15 -3.78 0.01 0.00 0.26 0.00 0.00 34.13 30.47 3ibb s GLU 58 CO 0.55 -0.85 0.11 0.41 -0.54 0.00 0.00 175.26 174.93 3ibb n GLY 59 N 4.27 -0.50 0.30 -1.50 0.00 -1.26 -4.78 105.19 101.72 3ibb n GLY 59 Ca 0.18 0.02 -0.04 0.00 0.00 0.00 0.00 46.02 46.18 3ibb n GLY 59 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ibb h SER 60 N -0.23 0.84 -4.00 1.61 4.64 0.28 -3.49 113.55 113.21 3ibb h SER 60 Ca -0.37 -0.17 -0.49 0.00 -0.47 0.00 0.00 61.79 60.29 3ibb h SER 60 Cb 1.27 -0.22 0.04 0.00 -0.31 0.00 0.00 62.40 63.18 3ibb h SER 60 CO 0.44 0.84 0.44 0.12 -0.87 0.00 0.00 176.83 177.80 3ibb s PHE 61 N -5.18 3.05 -0.05 4.77 5.36 -1.26 -4.63 117.98 120.04 3ibb s PHE 61 Ca -0.10 1.59 0.04 0.00 -0.96 0.00 0.00 56.93 57.50 3ibb s PHE 61 Cb 0.15 -3.22 -0.00 0.00 -0.34 0.00 0.00 43.02 39.61 3ibb s PHE 61 CO 0.81 -1.04 -0.18 0.08 -1.46 0.00 0.00 175.22 173.44 3ibb s VAL 62 N -1.66 1.52 -0.22 3.12 1.01 0.57 -4.97 120.40 119.76 3ibb s VAL 62 Ca 0.62 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.73 3ibb s VAL 62 Cb -0.24 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 3ibb s VAL 62 CO 0.29 0.44 0.21 -1.61 0.00 0.00 0.00 175.10 174.43 3ibb s GLU 63 N 0.13 4.12 -0.05 2.72 0.41 -1.26 -1.68 118.70 123.09 3ibb s GLU 63 Ca -0.07 -0.15 0.06 0.00 -0.41 0.00 0.00 54.97 54.40 3ibb s GLU 63 Cb -0.13 -3.51 -0.02 0.00 -1.78 0.00 0.00 34.13 28.69 3ibb s GLU 63 CO 0.03 0.09 -0.22 -0.51 -0.49 0.00 0.00 175.26 174.16 3ibb s LEU 64 N 0.96 2.25 -0.26 1.80 1.43 -0.43 -4.65 118.68 119.77 3ibb s LEU 64 Ca 0.10 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 3ibb s LEU 64 Cb -0.13 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.67 3ibb s LEU 64 CO 0.04 0.28 0.00 0.47 0.23 0.00 0.00 176.35 177.38 3ibb n ASP 65 N 2.69 -3.43 0.13 2.29 10.43 -1.26 -4.38 116.55 123.03 3ibb n ASP 65 Ca -0.17 0.06 0.05 0.00 2.57 0.00 0.00 54.79 57.30 3ibb n ASP 65 Cb 0.52 -1.14 0.50 0.00 1.84 0.00 0.00 41.12 42.84 3ibb n ASP 65 CO 0.00 0.00 0.00 -0.08 -1.07 0.00 0.00 177.20 176.05 3ibb h GLU 66 N 0.22 0.25 -0.31 -1.24 4.81 -1.90 0.50 114.58 116.91 3ibb h GLU 66 Ca -0.05 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3ibb h GLU 66 Cb 0.20 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.53 3ibb h GLU 66 CO 0.07 0.22 0.00 1.19 -0.73 0.00 0.00 179.01 179.76 3ibb n PHE 67 N -4.46 0.41 -1.83 0.92 3.01 -1.26 -0.57 117.46 113.68 3ibb n PHE 67 Ca -0.00 -0.21 -0.40 0.00 1.01 0.00 0.00 57.45 57.86 3ibb n PHE 67 Cb 0.12 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.61 3ibb n PHE 67 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ibb s ALA 68 N -1.59 3.18 -0.05 4.37 0.00 0.16 -4.52 121.76 123.32 3ibb s ALA 68 Ca 0.32 1.41 0.02 0.00 0.00 0.00 0.00 51.96 53.71 3ibb s ALA 68 Cb 0.17 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.73 3ibb s ALA 68 CO 0.25 -1.17 -0.10 1.03 0.00 0.00 0.00 175.76 175.77 3ibb s ARG 69 N -2.49 1.34 0.38 0.00 0.52 -1.26 -2.31 118.95 115.13 3ibb s ARG 69 Ca 0.62 -0.34 -0.27 0.00 -0.52 0.00 0.00 55.73 55.22 3ibb s ARG 69 Cb -0.42 -1.17 -0.09 0.00 0.52 0.00 0.00 34.95 33.78 3ibb s ARG 69 CO 0.54 0.04 1.35 -3.38 0.02 0.00 0.00 175.30 173.87 3ibb s HIS 70 N 0.55 2.81 -1.21 -0.53 -3.43 -1.26 -4.90 115.29 107.31 3ibb s HIS 70 Ca -0.10 1.36 0.25 0.00 -0.80 0.00 0.00 55.06 55.77 3ibb s HIS 70 Cb -0.13 -3.75 0.54 0.00 -1.43 0.00 0.00 32.58 27.80 3ibb s HIS 70 CO 0.02 -2.25 1.43 -2.13 -2.00 0.00 0.00 174.74 169.82 3ibb n ARG 71 N 0.35 0.24 -2.67 -0.38 3.00 -1.26 -4.95 116.66 110.98 3ibb n ARG 71 Ca 0.02 -0.14 -0.38 0.00 -0.00 0.00 0.00 57.85 57.35 3ibb n ARG 71 Cb 0.42 -1.50 -0.05 0.00 0.00 0.00 0.00 32.46 31.33 3ibb n ARG 71 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3ibb s SER 72 N -2.86 7.23 0.00 6.15 0.15 -1.26 -4.96 113.70 118.14 3ibb s SER 72 Ca 0.15 1.97 0.00 0.00 0.70 0.00 0.00 55.95 58.76 3ibb s SER 72 Cb 0.18 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 3ibb s SER 72 CO 0.66 -0.15 0.35 1.07 1.20 0.00 0.00 173.24 176.37 3ibb n THR 73 N 0.63 0.00 -3.69 6.45 5.66 -1.26 -3.82 114.28 118.25 3ibb n THR 73 Ca 0.02 -0.49 -0.37 0.00 -3.05 0.00 0.00 64.05 60.15 3ibb n THR 73 Cb 0.49 1.01 -0.12 0.00 -1.55 0.00 0.00 70.33 70.16 3ibb n THR 73 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 3ibb s ASN 74 N -0.28 5.48 0.00 1.09 -0.87 -1.26 -3.58 114.94 115.52 3ibb s ASN 74 Ca 0.00 -0.16 0.00 0.00 -1.57 0.00 0.00 52.86 51.13 3ibb s ASN 74 Cb 0.00 -2.00 0.00 0.00 -0.02 0.00 0.00 41.25 39.23 3ibb s ASN 74 CO 0.00 -0.05 0.00 0.49 -2.57 0.00 0.00 177.10 174.97 3ibb n PHE 75 N 4.98 0.00 -0.89 2.20 3.72 -1.26 -4.01 117.46 122.19 3ibb n PHE 75 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 3ibb n PHE 75 Cb 0.51 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 3ibb n PHE 75 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ibb n GLY 76 N -2.43 0.54 0.30 1.37 0.00 -1.23 -4.90 105.19 98.83 3ibb n GLY 76 Ca 0.00 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 45.97 3ibb n GLY 76 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ibb h LEU 77 N 0.00 0.00 -1.55 0.99 6.46 -1.74 0.66 115.31 120.13 3ibb h LEU 77 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3ibb h LEU 77 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 3ibb h LEU 77 CO 0.00 0.00 0.00 -2.24 -0.62 0.00 0.00 178.44 175.58 3ibb h ASP 78 N 0.00 0.00 -0.90 1.25 2.03 -1.79 -2.55 116.42 114.46 3ibb h ASP 78 Ca 0.08 0.00 0.04 0.00 -0.73 0.00 0.00 57.03 56.42 3ibb h ASP 78 Cb 0.33 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.78 3ibb h ASP 78 CO -0.00 0.00 0.59 0.00 -1.03 0.00 0.00 179.24 178.80 3ibb h ALA 79 N 2.05 1.46 -3.37 4.15 0.00 -1.22 -3.40 119.26 118.93 3ibb h ALA 79 Ca 0.00 -0.04 -0.54 0.00 0.00 0.00 0.00 54.91 54.34 3ibb h ALA 79 Cb 0.09 -0.30 -0.34 0.00 0.00 0.00 0.00 17.79 17.24 3ibb h ALA 79 CO 0.00 0.44 -0.82 -0.80 0.00 0.00 0.00 179.25 178.07 3ibb s ASN 80 N -6.09 1.98 -0.52 0.00 0.02 -0.96 -5.05 114.94 104.32 3ibb s ASN 80 Ca -0.12 -0.33 0.06 0.00 -1.02 0.00 0.00 52.86 51.46 3ibb s ASN 80 Cb 0.19 -0.90 0.23 0.00 0.02 0.00 0.00 41.25 40.80 3ibb s ASN 80 CO 0.80 0.03 0.59 -2.11 0.02 0.00 0.00 177.10 176.42 3ibb n ARG 81 N 3.94 1.47 -2.10 -0.60 1.85 -1.26 -4.97 116.66 114.99 3ibb n ARG 81 Ca -0.21 -3.91 -0.41 0.00 -1.00 0.00 0.00 57.85 52.32 3ibb n ARG 81 Cb 0.52 -1.78 -0.02 0.00 -1.05 0.00 0.00 32.46 30.13 3ibb n ARG 81 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3ibb s PRO 82 N -1.57 4.34 0.32 2.89 0.04 -1.26 -4.81 135.00 134.95 3ibb s PRO 82 Ca 0.36 2.24 -0.29 0.00 0.04 0.00 0.00 61.00 63.35 3ibb s PRO 82 Cb 0.13 -3.07 -0.10 0.00 0.04 0.00 0.00 34.50 31.50 3ibb s PRO 82 CO -0.09 -0.21 1.30 0.71 0.04 0.00 0.00 177.00 178.75 3ibb s TYR 83 N -1.11 3.08 0.00 0.56 1.51 -1.26 -1.77 117.35 118.35 3ibb s TYR 83 Ca 0.49 1.41 0.00 0.00 -1.01 0.00 0.00 57.07 57.97 3ibb s TYR 83 Cb -0.40 -3.66 0.00 0.00 -0.11 0.00 0.00 41.96 37.78 3ibb s TYR 83 CO 0.53 -1.82 0.00 0.41 -1.11 0.00 0.00 175.55 173.56 3ibb n GLY 84 N 0.90 2.34 4.01 0.71 0.00 0.26 -4.57 105.19 108.85 3ibb n GLY 84 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3ibb n GLY 84 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ibb n ASP 85 N 0.00 -3.71 0.00 1.61 2.03 -0.73 -1.12 116.55 114.63 3ibb n ASP 85 Ca 0.00 -0.85 0.00 0.00 0.52 0.00 0.00 54.79 54.46 3ibb n ASP 85 Cb 0.00 -3.02 0.00 0.00 -0.72 0.00 0.00 41.12 37.38 3ibb n ASP 85 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ibb n GLY 86 N -1.41 0.87 3.07 0.27 0.00 -1.26 -4.49 105.19 102.25 3ibb n GLY 86 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 3ibb n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ibb s VAL 87 N -3.44 0.46 -0.15 1.61 0.11 -0.28 0.12 120.40 118.84 3ibb s VAL 87 Ca 0.00 -1.31 -0.02 0.00 -2.93 0.00 0.00 61.98 57.72 3ibb s VAL 87 Cb 0.00 -0.88 -0.02 0.00 -1.53 0.00 0.00 36.38 33.96 3ibb s VAL 87 CO 0.00 -0.58 -0.09 -0.69 -3.33 0.00 0.00 175.10 170.41 3ibb s VAL 88 N -2.15 3.31 0.08 2.04 1.01 -0.42 -4.79 120.40 119.47 3ibb s VAL 88 Ca -0.05 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.42 3ibb s VAL 88 Cb -0.05 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 3ibb s VAL 88 CO -0.02 0.50 -0.11 0.42 0.00 0.00 0.00 175.10 175.89 3ibb s THR 89 N 0.53 0.95 -5.00 3.92 -4.23 -1.26 -1.80 115.64 108.75 3ibb s THR 89 Ca -0.06 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 58.97 3ibb s THR 89 Cb -0.15 -1.18 0.00 0.00 1.34 0.00 0.00 72.50 72.51 3ibb s THR 89 CO 0.03 -0.43 0.00 0.61 -0.54 0.00 0.00 174.62 174.29 3ibb n GLY 90 N 0.88 0.04 3.25 3.99 0.00 -0.86 -1.32 105.19 111.17 3ibb n GLY 90 Ca -0.18 -1.64 -0.18 0.00 0.00 0.00 0.00 46.02 44.01 3ibb n GLY 90 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ibb s TYR 91 N -2.36 1.42 0.27 1.61 -0.85 -0.68 -2.02 117.35 114.75 3ibb s TYR 91 Ca 0.00 -0.55 -0.21 0.00 -0.52 0.00 0.00 57.07 55.79 3ibb s TYR 91 Cb 0.00 -0.74 0.02 0.00 0.38 0.00 0.00 41.96 41.62 3ibb s TYR 91 CO 0.00 0.15 0.70 0.20 -1.52 0.00 0.00 175.55 175.09 3ibb s GLY 92 N -2.48 -0.10 -0.04 5.49 0.00 -0.80 -0.32 107.32 109.08 3ibb s GLY 92 Ca 0.09 -0.29 0.05 0.00 0.00 0.00 0.00 44.72 44.58 3ibb s GLY 92 CO 0.03 -0.10 -0.19 -0.51 0.00 0.00 0.00 173.10 172.34 3ibb s THR 93 N -3.91 2.68 -0.28 0.90 -4.23 -1.26 -0.36 115.64 109.18 3ibb s THR 93 Ca 0.11 -0.87 -0.06 0.00 -1.18 0.00 0.00 61.69 59.68 3ibb s THR 93 Cb -0.06 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.77 3ibb s THR 93 CO 0.06 0.58 0.06 -0.69 -0.54 0.00 0.00 174.62 174.09 3ibb s VAL 94 N -0.69 3.91 0.00 2.29 1.01 -0.41 -0.10 120.40 126.41 3ibb s VAL 94 Ca 0.11 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3ibb s VAL 94 Cb -0.10 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.32 3ibb s VAL 94 CO -0.00 0.17 0.00 0.47 0.00 0.00 0.00 175.10 175.74 3ibb n ASP 95 N 4.86 -1.91 0.00 3.32 8.00 -1.26 -0.05 116.55 129.51 3ibb n ASP 95 Ca -0.15 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.35 3ibb n ASP 95 Cb 0.49 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 3ibb n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ibb n GLY 96 N -2.48 0.84 3.42 0.44 0.00 -1.26 -5.12 105.19 101.04 3ibb n GLY 96 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3ibb n GLY 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ibb s ARG 97 N -0.70 3.51 0.33 1.61 1.81 0.93 -5.04 118.95 121.40 3ibb s ARG 97 Ca 0.00 -0.61 -0.29 0.00 -1.72 0.00 0.00 55.73 53.11 3ibb s ARG 97 Cb 0.00 -2.76 -0.11 0.00 -0.45 0.00 0.00 34.95 31.64 3ibb s ARG 97 CO 0.00 0.22 1.39 -1.25 -0.68 0.00 0.00 175.30 174.98 3ibb s PRO 98 N 0.38 4.26 0.04 3.54 0.04 -1.26 -1.29 135.00 140.71 3ibb s PRO 98 Ca -0.08 2.35 -0.03 0.00 0.04 0.00 0.00 61.00 63.28 3ibb s PRO 98 Cb -0.15 -3.04 -0.02 0.00 0.04 0.00 0.00 34.50 31.33 3ibb s PRO 98 CO 0.04 -0.34 0.04 0.08 0.04 0.00 0.00 177.00 176.86 3ibb s VAL 99 N -0.94 0.15 -0.08 -0.36 1.01 0.51 -4.10 120.40 116.59 3ibb s VAL 99 Ca 0.52 -1.26 0.02 0.00 0.00 0.00 0.00 61.98 61.26 3ibb s VAL 99 Cb -0.42 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 3ibb s VAL 99 CO 0.55 -0.70 -0.14 0.00 0.00 0.00 0.00 175.10 174.81 3ibb s ALA 100 N -2.79 2.62 -0.03 5.51 0.00 -0.83 -1.90 121.76 124.34 3ibb s ALA 100 Ca -0.03 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.00 3ibb s ALA 100 Cb -0.00 -1.06 0.01 0.00 0.00 0.00 0.00 23.12 22.07 3ibb s ALA 100 CO -0.06 0.42 -0.05 0.54 0.00 0.00 0.00 175.76 176.61 3ibb s VAL 101 N -0.25 0.52 -0.05 0.00 0.11 -0.86 -1.76 120.40 118.12 3ibb s VAL 101 Ca 0.01 -0.18 0.04 0.00 -2.93 0.00 0.00 61.98 58.93 3ibb s VAL 101 Cb -0.13 -0.50 -0.00 0.00 -1.53 0.00 0.00 36.38 34.21 3ibb s VAL 101 CO 0.03 0.19 -0.17 0.72 -3.33 0.00 0.00 175.10 172.55 3ibb s PHE 102 N 0.51 1.69 -0.16 1.54 -0.71 -1.06 -2.03 117.98 117.75 3ibb s PHE 102 Ca -0.06 -0.50 0.01 0.00 -1.04 0.00 0.00 56.93 55.33 3ibb s PHE 102 Cb -0.10 -1.15 0.02 0.00 -1.21 0.00 0.00 43.02 40.58 3ibb s PHE 102 CO 0.00 -0.18 -0.18 0.45 -1.34 0.00 0.00 175.22 173.96 3ibb s SER 103 N 0.11 2.96 0.47 1.98 0.15 -0.75 0.14 113.70 118.77 3ibb s SER 103 Ca -0.05 -0.58 -0.23 0.00 0.70 0.00 0.00 55.95 55.78 3ibb s SER 103 Cb -0.12 -1.37 -0.07 0.00 -1.71 0.00 0.00 66.02 62.75 3ibb s SER 103 CO 0.02 -0.00 1.23 -1.10 1.20 0.00 0.00 173.24 174.59 3ibb s GLN 104 N 1.26 3.65 -0.19 5.44 -0.21 -0.65 -1.30 119.66 127.65 3ibb s GLN 104 Ca 0.03 1.94 -0.10 0.00 0.02 0.00 0.00 55.36 57.24 3ibb s GLN 104 Cb -0.13 -2.43 -0.05 0.00 1.00 0.00 0.00 33.01 31.40 3ibb s GLN 104 CO -0.10 -0.69 0.13 0.34 -2.12 0.00 0.00 175.29 172.86 3ibb s ASP 105 N -1.17 6.23 0.26 5.90 -1.08 0.33 -4.53 116.67 122.60 3ibb s ASP 105 Ca 0.64 0.26 -0.03 0.00 -0.52 0.00 0.00 52.55 52.90 3ibb s ASP 105 Cb -0.33 -2.09 0.33 0.00 -1.46 0.00 0.00 42.92 39.37 3ibb s ASP 105 CO 0.40 0.20 1.78 0.15 0.52 0.00 0.00 175.17 178.22 3ibb h PHE 106 N 6.54 0.91 -0.15 -5.34 3.57 -1.83 -3.04 116.94 117.59 3ibb h PHE 106 Ca -0.42 -0.10 0.04 0.00 3.53 0.00 0.00 57.97 61.01 3ibb h PHE 106 Cb 1.16 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 3ibb h PHE 106 CO 0.59 0.79 0.11 1.15 -2.23 0.00 0.00 178.31 178.72 3ibb h THR 107 N 0.83 0.94 -3.47 4.41 2.02 -1.91 -2.68 112.91 113.03 3ibb h THR 107 Ca 0.17 -0.01 -0.71 0.00 0.77 0.00 0.00 66.41 66.63 3ibb h THR 107 Cb 0.37 0.91 -0.28 0.00 -1.74 0.00 0.00 68.15 67.41 3ibb h THR 107 CO 0.01 0.00 -0.48 -0.69 0.37 0.00 0.00 175.52 174.73 3ibb s VAL 108 N -5.07 4.18 -1.39 3.16 1.01 -1.25 -4.25 120.40 116.78 3ibb s VAL 108 Ca -0.05 -1.38 -0.04 0.00 0.00 0.00 0.00 61.98 60.51 3ibb s VAL 108 Cb 0.18 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 33.03 3ibb s VAL 108 CO 0.69 -0.48 0.30 0.49 0.00 0.00 0.00 175.10 176.10 3ibb n PHE 109 N 4.90 -1.60 -0.90 5.22 3.72 -1.26 -0.35 117.46 127.19 3ibb n PHE 109 Ca -0.10 0.27 0.00 0.00 -0.05 0.00 0.00 57.45 57.57 3ibb n PHE 109 Cb 0.43 -3.53 0.00 0.00 -0.94 0.00 0.00 39.48 35.44 3ibb n PHE 109 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ibb n GLY 110 N -1.14 0.63 2.18 1.37 0.00 -1.01 0.63 105.19 107.84 3ibb n GLY 110 Ca -0.12 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.83 3ibb n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ibb n GLY 111 N -1.98 0.78 3.58 -0.02 0.00 0.53 -1.56 105.19 106.52 3ibb n GLY 111 Ca 0.00 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.84 3ibb n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibb s ALA 112 N -2.25 3.06 0.46 4.61 0.00 0.21 -3.94 121.76 123.91 3ibb s ALA 112 Ca 0.00 -0.77 -0.24 0.00 0.00 0.00 0.00 51.96 50.95 3ibb s ALA 112 Cb 0.00 -3.95 -0.07 0.00 0.00 0.00 0.00 23.12 19.09 3ibb s ALA 112 CO 0.00 -2.50 1.32 -1.17 0.00 0.00 0.00 175.76 173.40 3ibb s LEU 113 N 4.68 4.07 0.32 0.00 1.98 -0.62 -3.88 118.68 125.23 3ibb s LEU 113 Ca 0.43 2.67 0.03 0.00 -2.89 0.00 0.00 54.13 54.37 3ibb s LEU 113 Cb -0.08 -4.06 -0.05 0.00 0.66 0.00 0.00 46.19 42.66 3ibb s LEU 113 CO 0.27 -1.10 0.10 -0.83 -1.89 0.00 0.00 176.35 172.89 3ibb s GLY 114 N -0.85 2.07 0.17 7.98 0.00 -1.26 -2.63 107.32 112.80 3ibb s GLY 114 Ca 0.62 -1.81 -0.14 0.00 0.00 0.00 0.00 44.72 43.40 3ibb s GLY 114 CO 0.48 -1.72 1.82 -2.09 0.00 0.00 0.00 173.10 171.58 3ibb h GLU 115 N 2.15 0.60 -0.30 2.90 4.81 -1.89 2.74 114.58 125.60 3ibb h GLU 115 Ca -0.38 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 58.67 3ibb h GLU 115 Cb 1.25 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 3ibb h GLU 115 CO 0.62 0.40 -0.40 0.28 -0.73 0.00 0.00 179.01 179.18 3ibb h VAL 116 N 0.62 1.29 -0.50 0.32 2.07 -1.94 0.26 116.25 118.37 3ibb h VAL 116 Ca 0.20 -1.58 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 3ibb h VAL 116 Cb -0.00 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3ibb h VAL 116 CO -0.08 0.51 0.23 0.22 0.02 0.00 0.00 177.57 178.48 3ibb h TYR 117 N 0.60 0.73 -0.66 1.57 5.03 -1.58 -1.54 116.97 121.12 3ibb h TYR 117 Ca 0.05 -0.04 0.04 0.00 2.58 0.00 0.00 58.73 61.36 3ibb h TYR 117 Cb 0.95 -0.22 -0.04 0.00 1.55 0.00 0.00 36.73 38.97 3ibb h TYR 117 CO 0.05 0.58 0.44 0.78 -1.32 0.00 0.00 178.16 178.68 3ibb h GLY 118 N 0.66 0.89 1.35 1.82 0.00 0.48 -2.92 103.07 105.36 3ibb h GLY 118 Ca 0.17 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 3ibb h GLY 118 CO -0.02 0.26 0.27 1.46 0.00 0.00 0.00 176.54 178.51 3ibb h GLN 119 N 0.77 0.84 -0.46 4.80 4.20 0.23 -2.51 115.11 122.99 3ibb h GLN 119 Ca 0.27 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 3ibb h GLN 119 Cb 0.10 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 3ibb h GLN 119 CO -0.08 0.66 0.23 0.87 -0.67 0.00 0.00 178.83 179.85 3ibb h LYS 120 N 0.84 0.65 -0.64 1.46 1.57 -1.11 -2.07 116.57 117.27 3ibb h LYS 120 Ca 0.20 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 3ibb h LYS 120 Cb 0.11 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 3ibb h LYS 120 CO -0.02 0.54 0.13 0.82 -0.57 0.00 0.00 179.45 180.35 3ibb h ILE 121 N 0.60 1.25 -0.53 1.86 2.04 -1.48 -3.09 117.51 118.15 3ibb h ILE 121 Ca 0.16 -0.97 -0.05 0.00 1.00 0.00 0.00 64.86 65.00 3ibb h ILE 121 Cb 0.09 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 3ibb h ILE 121 CO -0.02 0.36 0.11 0.58 0.00 0.00 0.00 178.15 179.18 3ibb h VAL 122 N 0.98 1.23 -0.68 1.67 2.07 -1.10 -0.61 116.25 119.80 3ibb h VAL 122 Ca 0.20 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 3ibb h VAL 122 Cb 0.38 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3ibb h VAL 122 CO 0.01 0.31 0.39 0.50 0.02 0.00 0.00 177.57 178.79 3ibb h LYS 123 N 0.79 0.94 -0.62 1.57 3.64 -1.41 -0.34 116.57 121.14 3ibb h LYS 123 Ca 0.17 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3ibb h LYS 123 Cb 0.31 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 3ibb h LYS 123 CO 0.00 0.70 0.21 0.28 -2.27 0.00 0.00 179.45 178.37 3ibb h VAL 124 N 0.93 1.24 -0.29 2.00 2.07 -1.35 0.14 116.25 120.99 3ibb h VAL 124 Ca 0.24 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 3ibb h VAL 124 Cb 0.02 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3ibb h VAL 124 CO -0.04 0.31 0.01 0.24 0.02 0.00 0.00 177.57 178.11 3ibb h MET 125 N 0.88 0.50 -0.72 1.57 2.86 -0.96 -2.10 114.93 116.96 3ibb h MET 125 Ca 0.20 -0.15 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 3ibb h MET 125 Cb 0.26 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 3ibb h MET 125 CO -0.01 0.64 0.26 -0.44 1.06 0.00 0.00 176.91 178.42 3ibb h ASP 126 N 0.30 1.03 -0.74 1.22 5.19 -0.99 -2.28 116.42 120.14 3ibb h ASP 126 Ca 0.08 -0.19 -0.04 0.00 -0.62 0.00 0.00 57.03 56.26 3ibb h ASP 126 Cb 0.41 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 39.62 3ibb h ASP 126 CO 0.01 0.94 0.31 0.15 -3.12 0.00 0.00 179.24 177.53 3ibb h PHE 127 N 1.06 1.12 -0.10 4.55 3.57 -0.81 0.48 116.94 126.81 3ibb h PHE 127 Ca 0.24 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 3ibb h PHE 127 Cb 0.26 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 38.66 3ibb h PHE 127 CO 0.02 0.85 0.05 0.00 -2.23 0.00 0.00 178.31 177.01 3ibb h ALA 128 N 1.15 0.13 -0.49 2.41 0.00 -1.12 -2.68 119.26 118.67 3ibb h ALA 128 Ca 0.25 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3ibb h ALA 128 Cb 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3ibb h ALA 128 CO -0.02 -0.31 -0.07 1.25 0.00 0.00 0.00 179.25 180.09 3ibb h LEU 129 N 0.06 0.87 -0.71 0.00 6.46 -1.42 1.18 115.31 121.73 3ibb h LEU 129 Ca 0.04 -0.25 0.02 0.00 -0.12 0.00 0.00 57.88 57.56 3ibb h LEU 129 Cb 0.10 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 39.76 3ibb h LEU 129 CO -0.01 0.97 0.46 0.07 -0.62 0.00 0.00 178.44 179.31 3ibb h LYS 130 N 0.80 0.90 -0.26 1.25 2.10 -0.81 -2.94 116.57 117.61 3ibb h LYS 130 Ca 0.14 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 3ibb h LYS 130 Cb 0.58 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 3ibb h LYS 130 CO 0.04 0.59 0.00 0.25 -2.00 0.00 0.00 179.45 178.33 3ibb n THR 131 N -4.62 1.70 -3.51 0.07 -2.24 -1.02 -5.03 114.28 99.64 3ibb n THR 131 Ca 0.07 -1.53 -0.20 0.00 -2.27 0.00 0.00 64.05 60.12 3ibb n THR 131 Cb 0.05 0.07 0.08 0.00 -2.10 0.00 0.00 70.33 68.44 3ibb n THR 131 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ibb n GLY 132 N -0.19 -0.45 3.23 3.38 0.00 0.37 -5.00 105.19 106.53 3ibb n GLY 132 Ca 0.16 0.18 -0.11 0.00 0.00 0.00 0.00 46.02 46.25 3ibb n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibb s PRO 134 N -2.76 4.28 -0.32 0.00 0.02 -1.24 -4.46 135.00 130.53 3ibb s PRO 134 Ca -0.04 1.99 -0.12 0.00 0.02 0.00 0.00 61.00 62.86 3ibb s PRO 134 Cb -0.00 -2.93 -0.03 0.00 0.02 0.00 0.00 34.50 31.56 3ibb s PRO 134 CO -0.05 -0.17 0.22 0.08 -0.33 0.00 0.00 177.00 176.75 3ibb s VAL 135 N -1.25 5.22 -0.19 3.83 1.01 -1.10 -1.97 120.40 125.95 3ibb s VAL 135 Ca 0.51 -0.12 -0.14 0.00 0.00 0.00 0.00 61.98 62.23 3ibb s VAL 135 Cb -0.35 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3ibb s VAL 135 CO 0.45 0.08 0.32 -0.69 0.00 0.00 0.00 175.10 175.26 3ibb s VAL 136 N 1.72 5.27 -0.18 2.92 1.01 -0.72 -2.58 120.40 127.83 3ibb s VAL 136 Ca 0.06 0.56 -0.03 0.00 0.00 0.00 0.00 61.98 62.58 3ibb s VAL 136 Cb -0.17 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 3ibb s VAL 136 CO 0.10 0.32 -0.07 -0.83 0.00 0.00 0.00 175.10 174.62 3ibb s GLY 137 N 0.83 1.61 -0.40 4.51 0.00 -0.37 -2.56 107.32 110.93 3ibb s GLY 137 Ca 0.16 -1.03 -0.17 0.00 0.00 0.00 0.00 44.72 43.69 3ibb s GLY 137 CO 0.06 0.16 0.40 -0.42 0.00 0.00 0.00 173.10 173.30 3ibb s ILE 138 N 0.95 5.13 -0.30 0.90 1.01 0.12 0.11 121.20 129.12 3ibb s ILE 138 Ca -0.01 -0.31 -0.11 0.00 0.00 0.00 0.00 60.65 60.22 3ibb s ILE 138 Cb -0.15 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 3ibb s ILE 138 CO 0.00 -0.34 0.18 0.20 0.00 0.00 0.00 174.94 174.99 3ibb s ASN 139 N 1.78 5.85 -0.41 3.58 -0.87 0.53 -1.64 114.94 123.76 3ibb s ASN 139 Ca 0.11 -0.22 0.07 0.00 -1.57 0.00 0.00 52.86 51.25 3ibb s ASN 139 Cb -0.17 -2.08 0.24 0.00 -0.02 0.00 0.00 41.25 39.22 3ibb s ASN 139 CO 0.13 -0.12 0.56 -0.67 -2.57 0.00 0.00 177.10 174.42 3ibb n ASP 140 N 5.04 -0.33 -4.05 -1.22 2.03 -1.26 -1.16 116.55 115.61 3ibb n ASP 140 Ca -0.14 -2.75 -0.21 0.00 0.52 0.00 0.00 54.79 52.22 3ibb n ASP 140 Cb 0.51 -0.28 -0.15 0.00 -0.72 0.00 0.00 41.12 40.47 3ibb n ASP 140 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3ibb s SER 141 N -1.12 1.37 0.20 1.67 0.15 -0.60 -3.98 113.70 111.40 3ibb s SER 141 Ca 0.34 -0.21 -0.10 0.00 0.70 0.00 0.00 55.95 56.68 3ibb s SER 141 Cb 0.16 -0.23 0.14 0.00 -1.71 0.00 0.00 66.02 64.38 3ibb s SER 141 CO -0.13 0.12 1.81 1.23 1.20 0.00 0.00 173.24 177.47 3ibb h GLY 142 N 6.04 1.09 0.00 9.45 0.00 -1.41 -3.28 103.07 114.95 3ibb h GLY 142 Ca -0.33 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.51 3ibb h GLY 142 CO 0.49 0.48 0.00 0.61 0.00 0.00 0.00 176.54 178.12 3ibb n GLY 143 N -1.07 -0.61 3.69 4.60 0.00 -1.26 -4.07 105.19 106.47 3ibb n GLY 143 Ca 0.06 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 3ibb n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibb s ALA 144 N -1.00 3.59 -0.54 4.61 0.00 -1.26 -1.59 121.76 125.57 3ibb s ALA 144 Ca 0.00 -0.60 -0.27 0.00 0.00 0.00 0.00 51.96 51.09 3ibb s ALA 144 Cb 0.00 -2.44 0.03 0.00 0.00 0.00 0.00 23.12 20.71 3ibb s ALA 144 CO 0.00 -0.10 1.10 0.50 0.00 0.00 0.00 175.76 177.26 3ibb s ARG 145 N 0.88 3.51 0.47 0.00 3.52 -1.08 -4.82 118.95 121.43 3ibb s ARG 145 Ca 0.15 0.18 0.15 0.00 -0.13 0.00 0.00 55.73 56.07 3ibb s ARG 145 Cb -0.13 -4.00 1.10 0.00 -1.56 0.00 0.00 34.95 30.35 3ibb s ARG 145 CO 0.05 -1.54 2.05 0.82 -0.81 0.00 0.00 175.30 175.87 3ibb h ILE 146 N 6.13 1.08 -0.29 4.11 5.03 -1.92 -0.05 117.51 131.60 3ibb h ILE 146 Ca -0.25 -0.36 0.07 0.00 -0.12 0.00 0.00 64.86 64.20 3ibb h ILE 146 Cb 1.06 1.17 -0.01 0.00 -3.03 0.00 0.00 36.82 36.01 3ibb h ILE 146 CO 1.14 0.11 0.21 1.56 -0.68 0.00 0.00 178.15 180.48 3ibb h GLN 147 N 0.03 0.07 -0.82 2.37 7.50 -1.88 1.11 115.11 123.49 3ibb h GLN 147 Ca 0.01 -0.00 0.01 0.00 0.50 0.00 0.00 58.65 59.16 3ibb h GLN 147 Cb 0.18 -0.02 -0.04 0.00 0.05 0.00 0.00 27.48 27.65 3ibb h GLN 147 CO 0.01 0.05 0.53 0.93 -1.50 0.00 0.00 178.83 178.85 3ibb h GLU 148 N 0.07 1.09 0.00 1.46 4.39 -1.31 -3.45 114.58 116.84 3ibb h GLU 148 Ca 0.14 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.76 3ibb h GLU 148 Cb 0.45 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3ibb h GLU 148 CO -0.01 0.73 0.00 0.41 -1.16 0.00 0.00 179.01 178.98 3ibb n GLY 149 N -1.38 -1.09 0.33 -3.84 0.00 0.38 -4.21 105.19 95.38 3ibb n GLY 149 Ca 0.09 -1.22 0.19 0.00 0.00 0.00 0.00 46.02 45.09 3ibb n GLY 149 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3ibb h VAL 150 N 0.00 0.21 -0.89 1.61 -1.51 -1.93 0.82 116.25 114.56 3ibb h VAL 150 Ca 0.00 0.00 0.17 0.00 -1.23 0.00 0.00 66.70 65.64 3ibb h VAL 150 Cb 0.00 0.93 -0.07 0.00 -2.13 0.00 0.00 31.29 30.02 3ibb h VAL 150 CO 0.00 0.00 0.58 0.00 -1.23 0.00 0.00 177.57 176.92 3ibb h ALA 151 N 1.88 1.97 -0.44 5.19 0.00 -1.97 3.01 119.26 128.90 3ibb h ALA 151 Ca 0.01 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3ibb h ALA 151 Cb 0.16 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3ibb h ALA 151 CO -0.00 -0.24 0.11 1.03 0.00 0.00 0.00 179.25 180.15 3ibb h SER 152 N 0.57 0.67 -0.43 0.00 0.87 0.44 -2.14 113.55 113.53 3ibb h SER 152 Ca 0.46 -0.23 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 3ibb h SER 152 Cb 0.90 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.67 3ibb h SER 152 CO -0.20 0.72 0.18 -0.07 -0.53 0.00 0.00 176.83 176.93 3ibb h LEU 153 N 0.58 0.59 -1.22 2.23 3.38 0.42 -3.10 115.31 118.18 3ibb h LEU 153 Ca 0.14 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3ibb h LEU 153 Cb 0.31 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3ibb h LEU 153 CO 0.00 0.58 0.13 1.23 0.09 0.00 0.00 178.44 180.48 3ibb h GLY 154 N 0.55 0.72 1.01 0.83 0.00 0.41 -0.96 103.07 105.63 3ibb h GLY 154 Ca 0.14 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 3ibb h GLY 154 CO -0.01 0.36 0.45 0.00 0.00 0.00 0.00 176.54 177.33 3ibb h ALA 155 N 1.49 0.94 -0.56 3.60 0.00 -1.31 -2.47 119.26 120.94 3ibb h ALA 155 Ca 0.15 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3ibb h ALA 155 Cb 0.22 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3ibb h ALA 155 CO -0.01 0.40 0.10 1.88 0.00 0.00 0.00 179.25 181.63 3ibb h TYR 156 N 1.00 0.93 -0.51 0.00 0.05 -1.24 -1.32 116.97 115.88 3ibb h TYR 156 Ca 0.26 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.93 3ibb h TYR 156 Cb -0.04 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.41 3ibb h TYR 156 CO -0.01 0.79 0.26 0.78 -1.05 0.00 0.00 178.16 178.93 3ibb h GLY 157 N 1.00 0.76 1.01 3.88 0.00 -1.47 0.24 103.07 108.48 3ibb h GLY 157 Ca 0.18 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 3ibb h GLY 157 CO 0.01 0.32 0.47 0.83 0.00 0.00 0.00 176.54 178.16 3ibb h GLU 158 N 0.71 1.02 -0.40 4.80 4.39 -0.91 -1.04 114.58 123.16 3ibb h GLU 158 Ca 0.18 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 59.73 3ibb h GLU 158 Cb 0.05 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 3ibb h GLU 158 CO -0.03 0.71 0.00 0.82 -1.16 0.00 0.00 179.01 179.36 3ibb h ILE 159 N 1.03 1.26 -0.62 3.13 1.08 -0.86 -3.27 117.51 119.26 3ibb h ILE 159 Ca 0.27 -1.01 -0.04 0.00 -0.39 0.00 0.00 64.86 63.69 3ibb h ILE 159 Cb -0.05 1.12 -0.03 0.00 -3.07 0.00 0.00 36.82 34.80 3ibb h ILE 159 CO -0.05 0.34 0.22 -0.26 -0.69 0.00 0.00 178.15 177.71 3ibb h PHE 160 N 0.53 0.97 -0.58 1.37 0.04 -0.17 -2.08 116.94 117.02 3ibb h PHE 160 Ca 0.11 -0.09 0.01 0.00 2.80 0.00 0.00 57.97 60.81 3ibb h PHE 160 Cb 0.47 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.31 3ibb h PHE 160 CO 0.04 0.78 0.38 -0.09 -0.60 0.00 0.00 178.31 178.82 3ibb h ARG 161 N 0.87 0.75 -0.50 1.51 2.43 -1.33 -0.08 114.38 118.03 3ibb h ARG 161 Ca 0.20 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.24 3ibb h ARG 161 Cb 0.25 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3ibb h ARG 161 CO -0.01 0.50 -0.04 0.00 -1.51 0.00 0.00 179.97 178.90 3ibb h ARG 162 N 0.77 0.92 -0.89 0.20 -0.00 -1.55 0.16 114.38 114.00 3ibb h ARG 162 Ca 0.22 -0.31 0.01 0.00 -0.50 0.00 0.00 59.98 59.39 3ibb h ARG 162 Cb -0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 29.97 29.78 3ibb h ARG 162 CO -0.06 0.97 0.59 -0.91 0.00 0.00 0.00 179.97 180.56 3ibb h ASN 163 N 0.78 1.01 -0.34 7.04 -0.26 -0.92 2.39 115.58 125.29 3ibb h ASN 163 Ca 0.14 -0.03 -0.02 0.00 -0.56 0.00 0.00 56.30 55.83 3ibb h ASN 163 Cb 0.58 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.57 3ibb h ASN 163 CO 0.03 0.73 0.11 0.74 -1.06 0.00 0.00 177.43 177.99 3ibb h THR 164 N 1.20 1.20 -0.49 2.81 2.02 -0.48 0.74 112.91 119.91 3ibb h THR 164 Ca 0.33 -0.64 -0.07 0.00 0.77 0.00 0.00 66.41 66.79 3ibb h THR 164 Cb -0.13 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 3ibb h THR 164 CO -0.07 0.22 0.02 0.45 0.37 0.00 0.00 175.52 176.51 3ibb h HIS 165 N 0.39 0.93 -0.60 3.16 3.86 0.63 -3.30 115.15 120.23 3ibb h HIS 165 Ca 0.11 -0.16 -0.07 0.00 -1.16 0.00 0.00 60.37 59.09 3ibb h HIS 165 Cb 0.23 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 3ibb h HIS 165 CO 0.00 0.87 0.10 0.00 0.86 0.00 0.00 177.93 179.76 3ibb h ALA 166 N 0.94 0.79 -1.91 2.45 0.00 0.42 -3.45 119.26 118.51 3ibb h ALA 166 Ca 0.14 -0.26 -0.62 0.00 0.00 0.00 0.00 54.91 54.17 3ibb h ALA 166 Cb 0.49 -0.23 0.09 0.00 0.00 0.00 0.00 17.79 18.15 3ibb h ALA 166 CO 0.02 0.55 0.23 0.45 0.00 0.00 0.00 179.25 180.50 3ibb n SER 167 N -4.30 1.44 0.00 0.00 2.88 0.26 -1.42 113.62 112.48 3ibb n SER 167 Ca 0.03 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.73 3ibb n SER 167 Cb 0.28 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.47 3ibb n SER 167 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ibb n GLY 168 N 1.67 0.74 1.00 0.46 0.00 -1.26 -4.90 105.19 102.89 3ibb n GLY 168 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.14 3ibb n GLY 168 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ibb n VAL 169 N -2.39 1.23 -4.70 1.61 0.31 -0.51 -4.77 118.33 109.11 3ibb n VAL 169 Ca 0.00 0.39 -0.27 0.00 -0.01 0.00 0.00 64.34 64.45 3ibb n VAL 169 Cb 0.00 -1.62 -0.17 0.00 -0.91 0.00 0.00 33.84 31.14 3ibb n VAL 169 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3ibb s ILE 170 N -2.03 1.42 0.30 2.52 -4.36 -1.24 0.12 121.20 117.92 3ibb s ILE 170 Ca -0.02 -0.63 -0.30 0.00 -0.26 0.00 0.00 60.65 59.44 3ibb s ILE 170 Cb 0.00 -1.27 -0.12 0.00 1.25 0.00 0.00 42.46 42.32 3ibb s ILE 170 CO 0.02 0.42 1.59 -2.65 0.24 0.00 0.00 174.94 174.57 3ibb n PRO 171 N 3.83 2.71 -3.78 0.37 -0.02 -1.26 -4.57 135.00 132.28 3ibb n PRO 171 Ca -0.21 0.96 -0.36 0.00 -2.02 0.00 0.00 63.50 61.87 3ibb n PRO 171 Cb 0.52 -2.75 -0.10 0.00 -0.02 0.00 0.00 33.50 31.15 3ibb n PRO 171 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3ibb s GLN 172 N -0.58 3.93 -0.07 -0.52 -0.21 -1.26 -2.71 119.66 118.24 3ibb s GLN 172 Ca 0.63 -0.34 0.05 0.00 0.02 0.00 0.00 55.36 55.72 3ibb s GLN 172 Cb -0.49 -3.41 -0.00 0.00 1.00 0.00 0.00 33.01 30.10 3ibb s GLN 172 CO 0.49 0.03 -0.23 0.42 -2.12 0.00 0.00 175.29 173.89 3ibb s ILE 173 N 1.08 1.90 -0.27 1.08 1.09 -1.06 -1.68 121.20 123.33 3ibb s ILE 173 Ca 0.06 -0.95 -0.08 0.00 -1.10 0.00 0.00 60.65 58.57 3ibb s ILE 173 Cb -0.14 -1.63 -0.03 0.00 -1.06 0.00 0.00 42.46 39.60 3ibb s ILE 173 CO 0.04 0.53 0.11 -0.44 -0.10 0.00 0.00 174.94 175.07 3ibb s SER 174 N 0.14 5.36 -0.42 3.58 0.01 0.19 -1.24 113.70 121.33 3ibb s SER 174 Ca -0.11 -0.25 -0.20 0.00 1.31 0.00 0.00 55.95 56.69 3ibb s SER 174 Cb -0.15 -1.97 0.02 0.00 0.21 0.00 0.00 66.02 64.13 3ibb s SER 174 CO 0.06 -0.07 0.63 -0.22 0.41 0.00 0.00 173.24 174.04 3ibb s LEU 175 N 1.63 4.47 -0.36 2.44 1.98 0.30 -0.45 118.68 128.70 3ibb s LEU 175 Ca 0.06 -0.27 -0.10 0.00 -2.89 0.00 0.00 54.13 50.93 3ibb s LEU 175 Cb -0.16 -2.71 0.02 0.00 0.66 0.00 0.00 46.19 44.00 3ibb s LEU 175 CO 0.05 -0.73 0.18 -0.69 -1.89 0.00 0.00 176.35 173.28 3ibb s VAL 176 N 2.75 4.49 -0.45 1.68 1.01 -0.59 0.20 120.40 129.50 3ibb s VAL 176 Ca 0.22 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.47 3ibb s VAL 176 Cb -0.14 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 3ibb s VAL 176 CO 0.18 -0.16 0.39 1.33 0.00 0.00 0.00 175.10 176.84 3ibb n VAL 177 N 4.97 0.00 -4.33 2.92 0.24 -0.30 -3.91 118.33 117.92 3ibb n VAL 177 Ca -0.12 -0.41 -0.18 0.00 -2.04 0.00 0.00 64.34 61.59 3ibb n VAL 177 Cb 0.47 1.04 -0.10 0.00 -1.47 0.00 0.00 33.84 33.78 3ibb n VAL 177 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3ibb s GLY 178 N -1.24 1.36 0.04 7.63 0.00 -0.45 -4.18 107.32 110.48 3ibb s GLY 178 Ca 0.04 -1.60 -0.25 0.00 0.00 0.00 0.00 44.72 42.91 3ibb s GLY 178 CO 0.19 -1.69 0.63 -1.05 0.00 0.00 0.00 173.10 171.18 3ibb n PRO 179 N -0.24 0.00 -4.34 2.90 -0.02 -1.26 -4.36 135.00 127.69 3ibb n PRO 179 Ca -0.09 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.17 3ibb n PRO 179 Cb 0.60 -0.93 -0.16 0.00 -0.02 0.00 0.00 33.50 32.98 3ibb n PRO 179 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ibb s ALA 181 N 0.80 1.02 0.00 0.00 0.00 -1.26 -1.92 121.76 120.41 3ibb s ALA 181 Ca -0.13 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.03 3ibb s ALA 181 Cb -0.15 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.84 3ibb s ALA 181 CO 0.02 0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.35 3ibb n GLY 182 N 1.81 -0.17 0.14 0.00 0.00 -0.17 -2.84 105.19 103.95 3ibb n GLY 182 Ca -0.19 -1.01 0.11 0.00 0.00 0.00 0.00 46.02 44.93 3ibb n GLY 182 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ibb n GLY 183 N 0.00 -1.03 0.32 -0.02 0.00 -1.26 -1.00 105.19 102.20 3ibb n GLY 183 Ca 0.00 0.14 0.15 0.00 0.00 0.00 0.00 46.02 46.30 3ibb n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibb h ALA 184 N 2.13 1.91 -0.12 4.61 0.00 -1.87 4.60 119.26 130.52 3ibb h ALA 184 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3ibb h ALA 184 Cb 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3ibb h ALA 184 CO 0.00 -0.22 0.02 -0.39 0.00 0.00 0.00 179.25 178.66 3ibb h VAL 185 N 0.00 1.07 -0.64 0.00 -1.51 -1.26 -2.97 116.25 110.95 3ibb h VAL 185 Ca 0.07 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 65.29 3ibb h VAL 185 Cb 0.35 0.96 -0.03 0.00 -2.13 0.00 0.00 31.29 30.44 3ibb h VAL 185 CO -0.00 0.09 0.41 1.88 -1.23 0.00 0.00 177.57 178.72 3ibb h TYR 186 N 0.17 0.81 -0.32 5.19 0.05 0.89 -3.04 116.97 120.71 3ibb h TYR 186 Ca 0.04 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.81 3ibb h TYR 186 Cb 0.09 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.54 3ibb h TYR 186 CO 0.00 0.52 0.10 1.03 -1.05 0.00 0.00 178.16 178.75 3ibb h SER 187 N 0.87 0.46 0.08 3.88 0.87 -1.62 -0.69 113.55 117.39 3ibb h SER 187 Ca 0.23 -0.21 -0.04 0.00 -1.23 0.00 0.00 61.79 60.55 3ibb h SER 187 Cb -0.09 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 3ibb h SER 187 CO -0.05 0.55 -0.12 -0.65 -0.53 0.00 0.00 176.83 176.02 3ibb h PRO 188 N 0.35 0.12 -0.64 2.24 0.11 -1.76 -3.07 132.00 129.36 3ibb h PRO 188 Ca 0.10 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.23 3ibb h PRO 188 Cb 0.25 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.30 3ibb h PRO 188 CO -0.00 0.25 0.38 0.00 -0.21 0.00 0.00 178.00 178.42 3ibb h ALA 189 N 1.76 0.84 -0.39 -0.75 0.00 -1.02 0.94 119.26 120.64 3ibb h ALA 189 Ca 0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3ibb h ALA 189 Cb 0.30 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3ibb h ALA 189 CO 0.02 0.10 0.03 0.82 0.00 0.00 0.00 179.25 180.23 3ibb h ILE 190 N 0.73 1.20 -3.98 0.00 2.04 -1.38 -3.45 117.51 112.67 3ibb h ILE 190 Ca 0.27 -0.79 -0.53 0.00 1.00 0.00 0.00 64.86 64.80 3ibb h ILE 190 Cb 0.07 0.87 0.10 0.00 -0.74 0.00 0.00 36.82 37.13 3ibb h ILE 190 CO -0.13 0.28 0.64 -0.89 0.00 0.00 0.00 178.15 178.05 3ibb s THR 191 N -5.03 2.36 0.16 -0.27 2.01 0.33 -4.92 115.64 110.27 3ibb s THR 191 Ca -0.08 0.31 -0.13 0.00 0.31 0.00 0.00 61.69 62.09 3ibb s THR 191 Cb 0.15 -3.18 0.05 0.00 0.01 0.00 0.00 72.50 69.54 3ibb s THR 191 CO 0.77 0.04 1.73 0.44 -0.69 0.00 0.00 174.62 176.91 3ibb h ASP 192 N 2.34 0.71 -3.74 3.53 3.32 -1.57 -3.42 116.42 117.58 3ibb h ASP 192 Ca -0.50 -0.15 -0.52 0.00 0.02 0.00 0.00 57.03 55.88 3ibb h ASP 192 Cb 1.26 -0.18 -0.32 0.00 0.22 0.00 0.00 39.33 40.31 3ibb h ASP 192 CO 0.61 0.66 -0.82 -0.36 -1.72 0.00 0.00 179.24 177.61 3ibb s PHE 193 N -5.63 1.48 -0.09 4.55 0.08 -0.95 -5.05 117.98 112.38 3ibb s PHE 193 Ca -0.13 -0.45 0.05 0.00 0.12 0.00 0.00 56.93 56.51 3ibb s PHE 193 Cb 0.12 -1.03 -0.00 0.00 -0.57 0.00 0.00 43.02 41.53 3ibb s PHE 193 CO 0.77 -0.18 -0.24 0.99 -0.10 0.00 0.00 175.22 176.46 3ibb s THR 194 N 0.25 2.07 0.05 0.64 2.01 -1.26 0.57 115.64 119.97 3ibb s THR 194 Ca -0.07 -1.03 0.05 0.00 0.31 0.00 0.00 61.69 60.95 3ibb s THR 194 Cb -0.12 -1.77 -0.02 0.00 0.01 0.00 0.00 72.50 70.59 3ibb s THR 194 CO 0.02 0.56 -0.13 0.68 -0.69 0.00 0.00 174.62 175.06 3ibb s VAL 195 N 0.18 1.04 0.03 3.82 -7.23 0.40 0.14 120.40 118.78 3ibb s VAL 195 Ca -0.14 -1.05 0.01 0.00 -1.81 0.00 0.00 61.98 58.99 3ibb s VAL 195 Cb -0.17 -0.97 -0.02 0.00 0.56 0.00 0.00 36.38 35.78 3ibb s VAL 195 CO 0.07 -0.08 -0.05 0.00 -0.31 0.00 0.00 175.10 174.74 3ibb s MET 196 N -1.28 0.40 0.57 4.82 0.23 -0.95 -1.54 119.30 121.55 3ibb s MET 196 Ca -0.00 -0.68 -0.18 0.00 -1.03 0.00 0.00 55.69 53.81 3ibb s MET 196 Cb -0.08 -0.04 -0.04 0.00 -1.53 0.00 0.00 34.83 33.13 3ibb s MET 196 CO 0.01 -0.01 1.09 0.14 -2.03 0.00 0.00 175.02 174.22 3ibb s VAL 197 N -1.47 3.46 0.22 5.16 -7.23 -1.25 0.20 120.40 119.48 3ibb s VAL 197 Ca -0.13 0.79 -0.31 0.00 -1.81 0.00 0.00 61.98 60.52 3ibb s VAL 197 Cb -0.10 -3.29 -0.11 0.00 0.56 0.00 0.00 36.38 33.44 3ibb s VAL 197 CO -0.01 -0.31 1.57 -0.62 -0.31 0.00 0.00 175.10 175.42 3ibb s ASP 198 N -2.27 6.53 -1.87 4.85 -1.08 -0.96 -4.03 116.67 117.83 3ibb s ASP 198 Ca 0.68 2.73 0.00 0.00 -0.52 0.00 0.00 52.55 55.44 3ibb s ASP 198 Cb -0.20 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.65 3ibb s ASP 198 CO 0.32 -0.84 0.00 0.00 0.52 0.00 0.00 175.17 175.17 3ibb n GLN 199 N 3.25 -1.54 0.00 4.34 1.13 -1.26 -4.57 117.38 118.73 3ibb n GLN 199 Ca 0.11 1.05 0.00 0.00 -1.94 0.00 0.00 57.00 56.22 3ibb n GLN 199 Cb 0.38 -5.49 0.00 0.00 0.11 0.00 0.00 30.24 25.24 3ibb n GLN 199 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3ibb n THR 200 N -2.75 0.00 -3.95 5.09 -1.04 -1.26 -5.11 114.28 105.26 3ibb n THR 200 Ca -0.20 -0.13 -0.09 0.00 -2.04 0.00 0.00 64.05 61.59 3ibb n THR 200 Cb 0.63 0.68 -0.09 0.00 -1.82 0.00 0.00 70.33 69.74 3ibb n THR 200 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3ibb s SER 201 N -0.64 0.23 0.22 8.00 1.04 -1.26 -4.57 113.70 116.72 3ibb s SER 201 Ca 0.00 -0.64 0.03 0.00 0.48 0.00 0.00 55.95 55.82 3ibb s SER 201 Cb 0.00 0.24 -0.05 0.00 0.10 0.00 0.00 66.02 66.31 3ibb s SER 201 CO 0.00 -0.55 0.01 -1.00 0.98 0.00 0.00 173.24 172.67 3ibb s HIS 202 N -3.01 1.44 0.04 5.02 0.09 -1.26 -3.17 115.29 114.44 3ibb s HIS 202 Ca -0.01 -0.98 0.04 0.00 -0.00 0.00 0.00 55.06 54.10 3ibb s HIS 202 Cb 0.01 -0.83 -0.02 0.00 -0.00 0.00 0.00 32.58 31.74 3ibb s HIS 202 CO -0.06 -0.13 -0.12 -1.64 -0.00 0.00 0.00 174.74 172.79 3ibb s MET 203 N -3.90 0.80 -0.15 1.40 -1.94 -1.13 -2.82 119.30 111.55 3ibb s MET 203 Ca 0.28 -0.70 -0.07 0.00 -1.71 0.00 0.00 55.69 53.49 3ibb s MET 203 Cb 0.06 -0.76 0.06 0.00 2.01 0.00 0.00 34.83 36.21 3ibb s MET 203 CO 0.08 0.18 0.34 -0.06 -0.01 0.00 0.00 175.02 175.55 3ibb s PHE 204 N -0.89 -0.54 0.25 -0.03 0.08 -0.81 -4.30 117.98 111.74 3ibb s PHE 204 Ca -0.01 1.15 -0.02 0.00 0.12 0.00 0.00 56.93 58.17 3ibb s PHE 204 Cb -0.08 0.16 0.29 0.00 -0.57 0.00 0.00 43.02 42.83 3ibb s PHE 204 CO 0.01 -0.35 1.72 0.97 -0.10 0.00 0.00 175.22 177.47 3ibb h ILE 205 N 5.90 1.25 -4.01 0.64 6.09 -1.87 -0.42 117.51 125.08 3ibb h ILE 205 Ca -0.29 -1.12 -0.19 0.00 -1.37 0.00 0.00 64.86 61.89 3ibb h ILE 205 Cb 1.15 1.00 -0.18 0.00 0.47 0.00 0.00 36.82 39.26 3ibb h ILE 205 CO 0.25 0.38 -0.70 -0.89 -3.07 0.00 0.00 178.15 174.12 3ibb s THR 206 N -4.84 0.38 0.71 2.19 2.01 -1.26 -3.58 115.64 111.25 3ibb s THR 206 Ca -0.09 -1.46 -0.11 0.00 0.31 0.00 0.00 61.69 60.33 3ibb s THR 206 Cb 0.14 -1.06 0.02 0.00 0.01 0.00 0.00 72.50 71.61 3ibb s THR 206 CO 0.82 -0.71 1.07 -0.83 -0.69 0.00 0.00 174.62 174.28 3ibb s GLY 207 N -2.30 1.64 0.20 4.40 0.00 -1.26 -4.95 107.32 105.05 3ibb s GLY 207 Ca -0.01 -0.13 -0.10 0.00 0.00 0.00 0.00 44.72 44.48 3ibb s GLY 207 CO -0.04 0.22 1.77 -2.55 0.00 0.00 0.00 173.10 172.49 3ibb h PRO 208 N -0.72 1.06 -0.98 2.90 0.11 -1.95 -3.20 132.00 129.22 3ibb h PRO 208 Ca -0.45 -0.18 0.02 0.00 0.11 0.00 0.00 66.00 65.50 3ibb h PRO 208 Cb 1.23 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 32.11 3ibb h PRO 208 CO 0.60 0.86 0.64 0.38 -0.21 0.00 0.00 178.00 180.28 3ibb h ASP 209 N 1.02 1.09 -0.43 -2.05 3.04 -1.95 -1.78 116.42 115.36 3ibb h ASP 209 Ca 0.24 -0.02 -0.07 0.00 -3.24 0.00 0.00 57.03 53.94 3ibb h ASP 209 Cb 0.18 -0.26 -0.02 0.00 -1.04 0.00 0.00 39.33 38.20 3ibb h ASP 209 CO -0.02 0.77 -0.01 0.58 -2.04 0.00 0.00 179.24 178.51 3ibb h VAL 210 N 1.28 1.26 -0.55 4.15 2.07 -1.99 -2.92 116.25 119.55 3ibb h VAL 210 Ca 0.37 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.87 3ibb h VAL 210 Cb -0.07 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3ibb h VAL 210 CO -0.10 0.36 0.37 0.16 0.02 0.00 0.00 177.57 178.38 3ibb h ILE 211 N 0.60 1.06 -0.74 4.57 3.07 -1.33 1.13 117.51 125.88 3ibb h ILE 211 Ca 0.12 -0.22 -0.04 0.00 1.55 0.00 0.00 64.86 66.28 3ibb h ILE 211 Cb 0.51 0.38 -0.03 0.00 -0.27 0.00 0.00 36.82 37.40 3ibb h ILE 211 CO 0.02 0.11 0.31 0.50 -1.05 0.00 0.00 178.15 178.05 3ibb h LYS 212 N 0.63 1.08 -0.47 0.16 3.64 -1.40 0.30 116.57 120.51 3ibb h LYS 212 Ca 0.22 -0.18 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 3ibb h LYS 212 Cb 0.11 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 3ibb h LYS 212 CO -0.06 0.87 0.01 1.79 -2.27 0.00 0.00 179.45 179.79 3ibb h THR 213 N 1.06 1.26 0.00 1.00 1.35 0.14 -3.32 112.91 114.39 3ibb h THR 213 Ca 0.25 -1.04 -0.46 0.00 -0.55 0.00 0.00 66.41 64.61 3ibb h THR 213 Cb 0.18 1.00 -0.07 0.00 -1.73 0.00 0.00 68.15 67.53 3ibb h THR 213 CO -0.02 0.36 -2.54 0.52 -0.25 0.00 0.00 175.52 173.58 3ibb n VAL 214 N -4.37 1.52 0.08 6.82 0.31 0.47 -4.71 118.33 118.46 3ibb n VAL 214 Ca 0.00 -0.41 -0.21 0.00 -0.01 0.00 0.00 64.34 63.71 3ibb n VAL 214 Cb 0.30 -1.82 -0.12 0.00 -0.91 0.00 0.00 33.84 31.29 3ibb n VAL 214 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3ibb h THR 215 N -0.86 1.29 0.00 2.52 2.02 -0.62 -3.48 112.91 113.77 3ibb h THR 215 Ca -0.69 -2.43 0.00 0.00 0.77 0.00 0.00 66.41 64.06 3ibb h THR 215 Cb 1.66 2.62 0.00 0.00 -1.74 0.00 0.00 68.15 70.69 3ibb h THR 215 CO -0.38 0.74 0.00 0.61 0.37 0.00 0.00 175.52 176.86 3ibb n GLY 216 N 1.30 0.68 3.56 2.16 0.00 -0.99 -5.05 105.19 106.86 3ibb n GLY 216 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 3ibb n GLY 216 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ibb s GLU 217 N -0.27 3.62 -0.15 1.61 -1.05 -1.26 -5.01 118.70 116.20 3ibb s GLU 217 Ca 0.00 -0.47 -0.03 0.00 -0.15 0.00 0.00 54.97 54.33 3ibb s GLU 217 Cb 0.00 -2.95 -0.02 0.00 -0.44 0.00 0.00 34.13 30.71 3ibb s GLU 217 CO 0.00 0.33 -0.07 -0.51 0.95 0.00 0.00 175.26 175.96 3ibb s ASP 218 N 0.15 4.57 0.09 0.83 1.01 -1.26 -4.22 116.67 117.84 3ibb s ASP 218 Ca 0.00 -0.18 0.04 0.00 0.71 0.00 0.00 52.55 53.12 3ibb s ASP 218 Cb -0.13 -1.72 -0.03 0.00 1.01 0.00 0.00 42.92 42.04 3ibb s ASP 218 CO 0.02 0.17 -0.11 -0.69 0.21 0.00 0.00 175.17 174.78 3ibb s VAL 219 N 0.33 0.94 0.68 -1.27 1.01 -1.26 -5.13 120.40 115.70 3ibb s VAL 219 Ca -0.06 -1.52 -0.11 0.00 0.00 0.00 0.00 61.98 60.29 3ibb s VAL 219 Cb -0.15 -1.23 -0.00 0.00 0.00 0.00 0.00 36.38 35.00 3ibb s VAL 219 CO 0.04 -0.48 1.07 -0.83 0.00 0.00 0.00 175.10 174.90 3ibb s GLY 220 N -2.23 1.64 0.11 4.51 0.00 -1.26 -4.91 107.32 105.18 3ibb s GLY 220 Ca 0.03 -0.21 -0.17 0.00 0.00 0.00 0.00 44.72 44.36 3ibb s GLY 220 CO 0.01 0.12 1.60 0.74 0.00 0.00 0.00 173.10 175.57 3ibb h PHE 221 N -0.57 0.55 -0.56 1.90 0.04 -2.02 -1.64 116.94 114.64 3ibb h PHE 221 Ca -0.45 -0.07 -0.04 0.00 2.80 0.00 0.00 57.97 60.21 3ibb h PHE 221 Cb 1.23 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 39.20 3ibb h PHE 221 CO 0.57 0.58 0.18 1.49 -0.60 0.00 0.00 178.31 180.52 3ibb h GLU 222 N 0.36 0.86 -0.15 1.51 4.57 -1.95 -2.75 114.58 117.03 3ibb h GLU 222 Ca 0.10 -0.18 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 3ibb h GLU 222 Cb 0.31 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 3ibb h GLU 222 CO 0.00 0.77 0.03 0.93 -1.18 0.00 0.00 179.01 179.56 3ibb h GLU 223 N 0.77 0.25 -0.32 1.92 4.39 -1.92 -1.14 114.58 118.52 3ibb h GLU 223 Ca 0.18 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.78 3ibb h GLU 223 Cb 0.27 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3ibb h GLU 223 CO -0.01 0.42 0.06 1.25 -1.16 0.00 0.00 179.01 179.57 3ibb h LEU 224 N 0.03 0.51 -0.13 1.33 5.85 -1.38 -3.41 115.31 118.11 3ibb h LEU 224 Ca 0.05 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.51 3ibb h LEU 224 Cb 0.29 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3ibb h LEU 224 CO 0.00 0.63 0.00 0.61 -0.34 0.00 0.00 178.44 179.35 3ibb n GLY 225 N -0.50 0.68 3.77 3.75 0.00 -1.04 -4.99 105.19 106.87 3ibb n GLY 225 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 3ibb n GLY 225 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ibb s GLY 226 N -0.45 1.65 0.43 -0.02 0.00 -0.43 -2.85 107.32 105.64 3ibb s GLY 226 Ca 0.00 0.04 0.09 0.00 0.00 0.00 0.00 44.72 44.84 3ibb s GLY 226 CO 0.00 0.43 2.06 0.00 0.00 0.00 0.00 173.10 175.59 3ibb h ALA 227 N -1.14 1.74 -0.89 3.20 0.00 -1.76 2.73 119.26 123.13 3ibb h ALA 227 Ca -0.46 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 3ibb h ALA 227 Cb 1.25 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 3ibb h ALA 227 CO 0.55 0.23 0.51 -0.09 0.00 0.00 0.00 179.25 180.45 3ibb h ARG 228 N 0.42 1.23 -0.46 0.00 2.43 -1.89 -1.82 114.38 114.30 3ibb h ARG 228 Ca 0.11 -0.13 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 3ibb h ARG 228 Cb -0.01 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.28 3ibb h ARG 228 CO -0.02 0.88 0.02 1.15 -1.51 0.00 0.00 179.97 180.49 3ibb h THR 229 N 1.24 1.26 -0.08 0.20 2.02 0.46 -3.03 112.91 114.99 3ibb h THR 229 Ca 0.32 -1.01 -0.00 0.00 0.77 0.00 0.00 66.41 66.49 3ibb h THR 229 Cb -0.01 1.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 3ibb h THR 229 CO -0.06 0.35 0.03 0.45 0.37 0.00 0.00 175.52 176.67 3ibb h HIS 230 N 0.64 0.11 0.12 3.16 3.86 -1.46 -2.53 115.15 119.06 3ibb h HIS 230 Ca 0.13 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 3ibb h HIS 230 Cb 0.47 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.90 3ibb h HIS 230 CO 0.04 0.22 -0.06 -0.91 0.86 0.00 0.00 177.93 178.08 3ibb h ASN 231 N -0.03 -0.13 0.13 2.45 4.21 -1.34 0.87 115.58 121.75 3ibb h ASN 231 Ca 0.03 -0.17 -0.01 0.00 1.21 0.00 0.00 56.30 57.35 3ibb h ASN 231 Cb 0.16 0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.39 3ibb h ASN 231 CO -0.00 0.10 -0.06 0.77 -1.29 0.00 0.00 177.43 176.94 3ibb h SER 232 N -0.37 -0.15 0.00 5.81 4.64 -1.71 -3.05 113.55 118.73 3ibb h SER 232 Ca -0.02 -0.37 -0.23 0.00 -0.47 0.00 0.00 61.79 60.70 3ibb h SER 232 Cb 0.30 0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.39 3ibb h SER 232 CO 0.03 0.33 -1.69 0.35 -0.87 0.00 0.00 176.83 174.97 3ibb n THR 233 N -4.95 1.25 -0.03 2.95 -2.24 -0.96 -4.14 114.28 106.16 3ibb n THR 233 Ca -0.08 -0.12 -0.06 0.00 -2.27 0.00 0.00 64.05 61.51 3ibb n THR 233 Cb 0.26 -1.91 0.13 0.00 -2.10 0.00 0.00 70.33 66.71 3ibb n THR 233 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3ibb h SER 234 N -0.75 0.64 0.00 3.42 4.64 -1.64 -3.49 113.55 116.36 3ibb h SER 234 Ca -0.35 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 3ibb h SER 234 Cb 1.23 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3ibb h SER 234 CO -0.21 0.89 0.00 0.61 -0.87 0.00 0.00 176.83 177.24 3ibb n GLY 235 N -0.23 0.70 0.35 -0.77 0.00 0.29 -4.99 105.19 100.54 3ibb n GLY 235 Ca -0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 46.02 45.86 3ibb n GLY 235 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ibb h VAL 236 N 0.00 1.26 -3.18 1.61 2.07 -1.84 -3.45 116.25 112.72 3ibb h VAL 236 Ca 0.00 -0.79 -0.67 0.00 0.82 0.00 0.00 66.70 66.06 3ibb h VAL 236 Cb 0.00 0.23 -0.34 0.00 -1.52 0.00 0.00 31.29 29.67 3ibb h VAL 236 CO 0.00 0.33 -0.85 0.00 0.02 0.00 0.00 177.57 177.06 3ibb s ALA 237 N -5.62 2.32 0.10 1.67 0.00 -1.26 -4.65 121.76 114.32 3ibb s ALA 237 Ca -0.12 -1.12 -0.17 0.00 0.00 0.00 0.00 51.96 50.55 3ibb s ALA 237 Cb 0.16 -1.09 -0.05 0.00 0.00 0.00 0.00 23.12 22.14 3ibb s ALA 237 CO 0.84 -0.11 1.56 0.45 0.00 0.00 0.00 175.76 178.49 3ibb h HIS 238 N 7.48 0.58 -3.96 0.00 3.86 -0.61 -3.38 115.15 119.13 3ibb h HIS 238 Ca -0.36 -0.09 -0.26 0.00 -1.16 0.00 0.00 60.37 58.50 3ibb h HIS 238 Cb 1.18 -0.16 -0.22 0.00 1.06 0.00 0.00 27.41 29.28 3ibb h HIS 238 CO 0.48 0.65 -0.73 -1.58 0.86 0.00 0.00 177.93 177.61 3ibb s HIS 239 N -5.07 0.58 -0.14 2.45 5.65 -1.22 0.12 115.29 117.66 3ibb s HIS 239 Ca -0.13 -0.48 -0.02 0.00 0.25 0.00 0.00 55.06 54.67 3ibb s HIS 239 Cb 0.09 -0.36 -0.02 0.00 -1.18 0.00 0.00 32.58 31.11 3ibb s HIS 239 CO 0.76 -0.10 -0.07 1.41 -0.65 0.00 0.00 174.74 176.09 3ibb s MET 240 N -1.49 3.52 0.67 2.88 1.75 -1.26 -2.23 119.30 123.13 3ibb s MET 240 Ca -0.11 -0.57 -0.15 0.00 -1.25 0.00 0.00 55.69 53.62 3ibb s MET 240 Cb -0.10 -2.81 0.01 0.00 2.84 0.00 0.00 34.83 34.77 3ibb s MET 240 CO 0.00 0.27 1.11 0.00 -0.65 0.00 0.00 175.02 175.75 3ibb s ALA 241 N 0.26 2.45 0.21 4.11 0.00 0.13 -4.85 121.76 124.06 3ibb s ALA 241 Ca -0.05 0.52 -0.08 0.00 0.00 0.00 0.00 51.96 52.35 3ibb s ALA 241 Cb -0.14 -3.31 0.14 0.00 0.00 0.00 0.00 23.12 19.80 3ibb s ALA 241 CO 0.04 -1.33 1.76 0.78 0.00 0.00 0.00 175.76 177.01 3ibb h GLY 242 N -0.08 1.25 -2.11 0.00 0.00 -1.93 -2.55 103.07 97.65 3ibb h GLY 242 Ca -0.46 -0.71 0.12 0.00 0.00 0.00 0.00 47.33 46.27 3ibb h GLY 242 CO 0.54 0.67 0.34 0.51 0.00 0.00 0.00 176.54 178.60 3ibb s ASP 243 N -6.37 -0.21 0.20 0.19 -4.77 -1.26 -4.51 116.67 99.94 3ibb s ASP 243 Ca -0.12 -0.54 -0.09 0.00 -3.30 0.00 0.00 52.55 48.50 3ibb s ASP 243 Cb 0.15 0.63 0.13 0.00 -1.09 0.00 0.00 42.92 42.74 3ibb s ASP 243 CO 0.84 -1.17 1.75 -0.33 0.70 0.00 0.00 175.17 176.97 3ibb h GLU 244 N 2.00 1.13 -0.88 2.11 5.08 -1.95 -2.02 114.58 120.05 3ibb h GLU 244 Ca -0.22 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 57.90 3ibb h GLU 244 Cb 1.24 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.28 3ibb h GLU 244 CO 0.25 0.94 0.49 0.87 -1.00 0.00 0.00 179.01 180.56 3ibb h LYS 245 N 1.08 1.23 -0.25 2.33 1.57 -1.97 -2.07 116.57 118.49 3ibb h LYS 245 Ca 0.24 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3ibb h LYS 245 Cb 0.26 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3ibb h LYS 245 CO -0.01 0.90 0.04 -0.44 -0.57 0.00 0.00 179.45 179.36 3ibb h ASP 246 N 1.23 0.39 -0.58 0.86 5.19 -1.97 -3.18 116.42 118.36 3ibb h ASP 246 Ca 0.31 -0.27 -0.06 0.00 -0.62 0.00 0.00 57.03 56.39 3ibb h ASP 246 Cb 0.02 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 39.40 3ibb h ASP 246 CO -0.05 0.56 0.13 0.00 -3.12 0.00 0.00 179.24 176.76 3ibb h ALA 247 N 0.85 1.07 -0.68 3.45 0.00 -0.90 -1.26 119.26 121.79 3ibb h ALA 247 Ca 0.07 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3ibb h ALA 247 Cb 0.34 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3ibb h ALA 247 CO 0.01 0.61 0.18 0.28 0.00 0.00 0.00 179.25 180.33 3ibb h VAL 248 N 0.93 1.26 -0.65 0.00 2.07 -1.54 -2.82 116.25 115.50 3ibb h VAL 248 Ca 0.20 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 3ibb h VAL 248 Cb 0.36 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3ibb h VAL 248 CO 0.00 0.36 0.35 -0.08 0.02 0.00 0.00 177.57 178.23 3ibb h GLU 249 N 1.02 0.90 -0.66 1.57 4.57 -1.37 0.28 114.58 120.88 3ibb h GLU 249 Ca 0.22 -0.11 -0.08 0.00 -1.18 0.00 0.00 59.36 58.20 3ibb h GLU 249 Cb 0.35 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 3ibb h GLU 249 CO 0.00 0.68 0.09 -0.92 -1.18 0.00 0.00 179.01 177.68 3ibb h TYR 250 N 0.88 1.19 -0.66 0.92 3.20 -1.28 2.26 116.97 123.48 3ibb h TYR 250 Ca 0.23 -0.17 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 3ibb h TYR 250 Cb 0.05 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 37.96 3ibb h TYR 250 CO -0.01 1.00 0.26 0.28 -1.64 0.00 0.00 178.16 178.05 3ibb h VAL 251 N 1.04 1.23 -0.33 1.81 2.07 -1.40 1.58 116.25 122.24 3ibb h VAL 251 Ca 0.20 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 3ibb h VAL 251 Cb 0.47 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3ibb h VAL 251 CO 0.02 0.29 0.20 0.11 0.02 0.00 0.00 177.57 178.21 3ibb h LYS 252 N 0.95 0.45 -0.30 1.57 1.57 0.27 0.53 116.57 121.62 3ibb h LYS 252 Ca 0.22 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.90 3ibb h LYS 252 Cb 0.19 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3ibb h LYS 252 CO -0.02 0.35 -0.03 1.96 -0.57 0.00 0.00 179.45 181.15 3ibb h GLN 253 N 0.43 0.55 -0.69 3.15 1.08 0.43 -3.09 115.11 116.96 3ibb h GLN 253 Ca 0.12 -0.19 -0.04 0.00 -1.45 0.00 0.00 58.65 57.09 3ibb h GLN 253 Cb 0.02 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 3ibb h GLN 253 CO -0.02 0.71 0.28 1.25 -0.95 0.00 0.00 178.83 180.10 3ibb h LEU 254 N 0.34 0.92 -1.26 1.46 5.85 0.23 -3.12 115.31 119.72 3ibb h LEU 254 Ca 0.08 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 3ibb h LEU 254 Cb 0.48 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 3ibb h LEU 254 CO 0.02 0.81 0.26 0.25 -0.34 0.00 0.00 178.44 179.44 3ibb h LEU 255 N 0.99 0.69 -0.87 2.25 5.85 0.13 -2.31 115.31 122.04 3ibb h LEU 255 Ca 0.23 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3ibb h LEU 255 Cb 0.18 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3ibb h LEU 255 CO -0.02 0.59 0.51 0.77 -0.34 0.00 0.00 178.44 179.95 3ibb h SER 256 N 0.77 1.06 -0.76 1.25 4.64 -1.47 -3.07 113.55 115.97 3ibb h SER 256 Ca 0.19 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 3ibb h SER 256 Cb 0.09 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 61.87 3ibb h SER 256 CO -0.02 0.83 0.42 1.88 -0.87 0.00 0.00 176.83 179.07 3ibb h TYR 257 N 1.21 1.05 -3.86 4.77 0.05 -1.53 -3.43 116.97 115.23 3ibb h TYR 257 Ca 0.31 -0.03 -0.49 0.00 0.05 0.00 0.00 58.73 58.58 3ibb h TYR 257 Cb -0.02 -0.34 0.05 0.00 1.01 0.00 0.00 36.73 37.43 3ibb h TYR 257 CO 0.00 0.74 0.23 -0.51 -1.05 0.00 0.00 178.16 177.57 3ibb s LEU 258 N -9.94 3.33 0.59 3.88 1.43 -1.16 -4.45 118.68 112.36 3ibb s LEU 258 Ca -0.13 0.97 -0.13 0.00 -1.03 0.00 0.00 54.13 53.82 3ibb s LEU 258 Cb 0.15 -3.88 -0.05 0.00 0.03 0.00 0.00 46.19 42.44 3ibb s LEU 258 CO 0.80 -0.89 1.02 -2.16 0.23 0.00 0.00 176.35 175.35 3ibb s PRO 259 N -4.99 3.65 0.15 1.29 0.04 -1.26 -4.01 135.00 129.87 3ibb s PRO 259 Ca 0.52 0.83 -0.14 0.00 0.04 0.00 0.00 61.00 62.25 3ibb s PRO 259 Cb -0.11 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.37 3ibb s PRO 259 CO 0.48 -0.53 1.69 0.66 0.04 0.00 0.00 177.00 179.34 3ibb h SER 260 N 0.02 0.68 -5.09 6.66 4.64 -1.87 -3.42 113.55 115.17 3ibb h SER 260 Ca -0.45 -0.19 -0.04 0.00 -0.47 0.00 0.00 61.79 60.65 3ibb h SER 260 Cb 1.19 -0.18 -0.11 0.00 -0.31 0.00 0.00 62.40 62.99 3ibb h SER 260 CO 0.61 0.69 -0.02 0.54 -0.87 0.00 0.00 176.83 177.78 3ibb s ASN 261 N -6.00 -0.25 0.37 4.97 2.20 -1.23 -3.59 114.94 111.41 3ibb s ASN 261 Ca -0.13 -0.43 0.09 0.00 -0.94 0.00 0.00 52.86 51.45 3ibb s ASN 261 Cb 0.11 0.54 0.83 0.00 -2.00 0.00 0.00 41.25 40.72 3ibb s ASN 261 CO 0.78 -0.97 1.92 -0.55 -2.94 0.00 0.00 177.10 175.33 3ibb h ASN 262 N 2.27 0.61 -0.75 3.54 -1.07 0.61 -2.89 115.58 117.89 3ibb h ASN 262 Ca -0.31 0.02 -0.01 0.00 0.07 0.00 0.00 56.30 56.07 3ibb h ASN 262 Cb 1.26 -0.11 -0.04 0.00 -2.07 0.00 0.00 38.32 37.37 3ibb h ASN 262 CO 0.41 0.35 0.45 -0.07 0.07 0.00 0.00 177.43 178.64 3ibb h LEU 263 N 0.67 0.92 -9.81 6.14 -0.00 -1.88 -3.43 115.31 107.92 3ibb h LEU 263 Ca 0.37 -0.06 -0.60 0.00 -0.00 0.00 0.00 57.88 57.59 3ibb h LEU 263 Cb 0.53 -0.23 -0.05 0.00 -0.00 0.00 0.00 40.66 40.92 3ibb h LEU 263 CO -0.14 0.71 -0.29 -0.94 -0.00 0.00 0.00 178.44 177.78 3ibb s SER 264 N -6.36 6.60 0.48 -0.43 1.04 -1.09 -5.05 113.70 108.87 3ibb s SER 264 Ca -0.11 0.72 -0.23 0.00 0.48 0.00 0.00 55.95 56.81 3ibb s SER 264 Cb 0.17 -2.15 -0.07 0.00 0.10 0.00 0.00 66.02 64.07 3ibb s SER 264 CO 0.80 0.19 1.19 -0.70 0.98 0.00 0.00 173.24 175.70 3ibb s GLU 265 N -1.89 3.66 0.44 4.02 2.12 -1.26 -4.78 118.70 121.01 3ibb s GLU 265 Ca 0.32 1.82 -0.24 0.00 0.36 0.00 0.00 54.97 57.23 3ibb s GLU 265 Cb -0.14 -2.37 -0.08 0.00 0.26 0.00 0.00 34.13 31.81 3ibb s GLU 265 CO 0.18 -0.65 1.25 -1.25 -0.54 0.00 0.00 175.26 174.25 3ibb s PRO 266 N -2.75 3.77 0.25 4.30 0.04 -1.26 -4.77 135.00 134.58 3ibb s PRO 266 Ca 0.65 2.01 -0.31 0.00 0.04 0.00 0.00 61.00 63.40 3ibb s PRO 266 Cb -0.30 -2.56 -0.11 0.00 0.04 0.00 0.00 34.50 31.57 3ibb s PRO 266 CO 0.36 -0.61 1.59 -1.25 0.04 0.00 0.00 177.00 177.13 3ibb s PRO 267 N -2.50 4.16 0.05 0.56 0.04 -1.26 -4.73 135.00 131.34 3ibb s PRO 267 Ca 0.61 2.51 0.04 0.00 0.04 0.00 0.00 61.00 64.20 3ibb s PRO 267 Cb -0.35 -3.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 3ibb s PRO 267 CO 0.43 -0.61 -0.11 0.00 0.04 0.00 0.00 177.00 176.75 3ibb s ALA 268 N 0.36 0.86 -0.43 8.56 0.00 -1.26 -4.67 121.76 125.18 3ibb s ALA 268 Ca 0.65 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.77 3ibb s ALA 268 Cb -0.47 -0.03 0.14 0.00 0.00 0.00 0.00 23.12 22.76 3ibb s ALA 268 CO 0.42 0.08 0.26 -0.06 0.00 0.00 0.00 175.76 176.45 3ibb s PHE 269 N -1.29 1.67 0.17 0.00 0.08 -1.14 -5.06 117.98 112.41 3ibb s PHE 269 Ca -0.06 -2.27 -0.32 0.00 0.12 0.00 0.00 56.93 54.41 3ibb s PHE 269 Cb -0.10 -1.59 -0.11 0.00 -0.57 0.00 0.00 43.02 40.65 3ibb s PHE 269 CO 0.01 -0.79 1.73 -1.25 -0.10 0.00 0.00 175.22 174.83 3ibb s PRO 270 N 0.40 4.14 0.06 0.24 0.04 -1.26 -4.55 135.00 134.08 3ibb s PRO 270 Ca 0.20 2.56 0.00 0.00 0.04 0.00 0.00 61.00 63.80 3ibb s PRO 270 Cb -0.20 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 3ibb s PRO 270 CO -0.03 -0.76 -0.05 -1.83 0.04 0.00 0.00 177.00 174.38 3ibb s GLU 271 N 1.70 0.66 -0.04 4.56 -1.05 -0.58 -5.02 118.70 118.92 3ibb s GLU 271 Ca 0.76 -1.16 0.05 0.00 -0.15 0.00 0.00 54.97 54.47 3ibb s GLU 271 Cb -0.47 0.00 -0.02 0.00 -0.44 0.00 0.00 34.13 33.19 3ibb s GLU 271 CO 0.33 -0.06 -0.19 -2.00 0.95 0.00 0.00 175.26 174.30 3ibb s GLU 272 N -3.44 2.40 -0.05 -4.83 2.12 -1.26 -4.65 118.70 108.98 3ibb s GLU 272 Ca 0.05 -0.78 0.06 0.00 0.36 0.00 0.00 54.97 54.65 3ibb s GLU 272 Cb 0.04 -2.26 -0.01 0.00 0.26 0.00 0.00 34.13 32.16 3ibb s GLU 272 CO -0.06 0.58 -0.23 0.00 -0.54 0.00 0.00 175.26 175.01 3ibb s ALA 273 N -0.63 1.99 0.12 6.30 0.00 -1.26 -5.07 121.76 123.20 3ibb s ALA 273 Ca 0.10 -0.95 -0.31 0.00 0.00 0.00 0.00 51.96 50.79 3ibb s ALA 273 Cb -0.11 -0.63 -0.09 0.00 0.00 0.00 0.00 23.12 22.29 3ibb s ALA 273 CO 0.00 0.38 1.62 0.34 0.00 0.00 0.00 175.76 178.10 3ibb s ASP 274 N -0.10 6.59 0.04 0.00 2.15 -1.26 -4.86 116.67 119.23 3ibb s ASP 274 Ca -0.04 2.55 0.24 0.00 0.43 0.00 0.00 52.55 55.73 3ibb s ASP 274 Cb -0.13 -2.58 0.25 0.00 -0.30 0.00 0.00 42.92 40.16 3ibb s ASP 274 CO 0.03 -0.86 1.22 0.18 -0.17 0.00 0.00 175.17 175.57 3ibb n LEU 275 N 4.82 0.62 -4.75 -1.34 4.77 -1.26 -4.96 117.00 114.89 3ibb n LEU 275 Ca 0.15 -0.01 -0.41 0.00 -0.03 0.00 0.00 56.01 55.71 3ibb n LEU 275 Cb 0.39 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 3ibb n LEU 275 CO 0.62 0.07 1.08 0.00 -1.33 0.00 0.00 177.39 177.84 3ibb s ALA 276 N -3.10 3.60 0.20 -1.18 0.00 -1.26 -4.82 121.76 115.19 3ibb s ALA 276 Ca 0.07 1.34 -0.32 0.00 0.00 0.00 0.00 51.96 53.05 3ibb s ALA 276 Cb 0.15 -3.55 -0.11 0.00 0.00 0.00 0.00 23.12 19.62 3ibb s ALA 276 CO 0.75 -0.75 1.68 0.14 0.00 0.00 0.00 175.76 177.58 3ibb s VAL 277 N -0.33 2.20 0.28 0.00 -7.23 -1.26 -4.94 120.40 109.12 3ibb s VAL 277 Ca 0.57 0.14 0.09 0.00 -1.81 0.00 0.00 61.98 60.97 3ibb s VAL 277 Cb -0.42 -3.09 -0.04 0.00 0.56 0.00 0.00 36.38 33.39 3ibb s VAL 277 CO 0.47 0.01 0.04 0.28 -0.31 0.00 0.00 175.10 175.59 3ibb s THR 278 N 1.17 3.44 0.57 5.32 -1.32 -1.26 -4.93 115.64 118.62 3ibb s THR 278 Ca 0.73 -1.83 0.32 0.00 -1.21 0.00 0.00 61.69 59.71 3ibb s THR 278 Cb -0.48 -2.92 0.36 0.00 -1.51 0.00 0.00 72.50 67.96 3ibb s THR 278 CO 0.32 -0.33 2.25 0.44 -2.21 0.00 0.00 174.62 175.08 3ibb h ASP 279 N 1.79 0.00 -0.67 8.08 3.32 -2.00 1.47 116.42 128.41 3ibb h ASP 279 Ca -0.44 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 3ibb h ASP 279 Cb 1.25 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.77 3ibb h ASP 279 CO 0.61 0.02 0.42 -0.33 -1.72 0.00 0.00 179.24 178.24 3ibb h GLU 280 N 0.00 0.91 -0.54 3.56 3.07 -1.98 0.37 114.58 119.98 3ibb h GLU 280 Ca -0.00 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 58.75 3ibb h GLU 280 Cb 0.07 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 27.76 3ibb h GLU 280 CO 0.00 0.63 0.19 -0.44 -1.40 0.00 0.00 179.01 177.99 3ibb h ASP 281 N 0.93 0.76 -0.16 1.42 3.32 0.17 -3.23 116.42 119.63 3ibb h ASP 281 Ca 0.25 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3ibb h ASP 281 Cb -0.06 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 3ibb h ASP 281 CO -0.05 0.75 0.05 0.00 -1.72 0.00 0.00 179.24 178.27 3ibb h ALA 282 N 1.04 1.66 -0.45 3.45 0.00 0.55 -2.54 119.26 122.97 3ibb h ALA 282 Ca 0.18 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3ibb h ALA 282 Cb 0.24 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3ibb h ALA 282 CO -0.01 0.26 0.30 1.49 0.00 0.00 0.00 179.25 181.29 3ibb h GLU 283 N 0.32 0.40 -0.05 0.00 4.81 -1.18 1.91 114.58 120.80 3ibb h GLU 283 Ca 0.08 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3ibb h GLU 283 Cb 0.14 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 3ibb h GLU 283 CO -0.00 0.27 0.04 1.25 -0.73 0.00 0.00 179.01 179.84 3ibb h LEU 284 N 0.42 0.00 -1.03 1.64 5.85 -1.62 -2.57 115.31 118.00 3ibb h LEU 284 Ca 0.19 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.99 3ibb h LEU 284 Cb 0.23 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.19 3ibb h LEU 284 CO -0.05 0.00 0.64 0.44 -0.34 0.00 0.00 178.44 179.13 3ibb h ASP 285 N 0.00 1.00 -0.08 1.25 3.32 0.28 0.31 116.42 122.51 3ibb h ASP 285 Ca 0.02 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3ibb h ASP 285 Cb 0.11 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3ibb h ASP 285 CO -0.00 0.61 0.00 0.35 -1.72 0.00 0.00 179.24 178.48 3ibb n THR 286 N -4.52 0.07 -0.29 0.35 -2.24 -0.97 -4.64 114.28 102.04 3ibb n THR 286 Ca 0.16 -0.51 -0.04 0.00 -2.27 0.00 0.00 64.05 61.39 3ibb n THR 286 Cb 0.23 1.35 0.07 0.00 -2.10 0.00 0.00 70.33 69.87 3ibb n THR 286 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 3ibb h ILE 287 N 4.49 1.20 -3.40 2.28 2.10 -0.47 -3.39 117.51 120.31 3ibb h ILE 287 Ca 0.00 -0.36 -0.53 0.00 1.08 0.00 0.00 64.86 65.05 3ibb h ILE 287 Cb 0.96 0.04 0.06 0.00 -1.09 0.00 0.00 36.82 36.79 3ibb h ILE 287 CO 0.00 0.19 0.78 -0.69 -1.08 0.00 0.00 178.15 177.35 3ibb s VAL 288 N -6.13 2.53 0.65 2.19 1.01 -1.26 -4.94 120.40 114.45 3ibb s VAL 288 Ca -0.13 0.45 -0.13 0.00 0.00 0.00 0.00 61.98 62.17 3ibb s VAL 288 Cb 0.15 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 3ibb s VAL 288 CO 0.78 0.07 1.06 -2.16 0.00 0.00 0.00 175.10 174.85 3ibb s PRO 289 N -0.49 3.13 0.26 2.72 0.04 -1.26 -4.99 135.00 134.41 3ibb s PRO 289 Ca 0.60 1.05 -0.04 0.00 0.04 0.00 0.00 61.00 62.64 3ibb s PRO 289 Cb -0.43 -2.01 0.30 0.00 0.04 0.00 0.00 34.50 32.40 3ibb s PRO 289 CO 0.45 -0.95 1.85 -0.44 0.04 0.00 0.00 177.00 177.95 3ibb h ASP 290 N -0.19 0.99 -3.20 6.66 3.45 -1.94 -3.44 116.42 118.75 3ibb h ASP 290 Ca -0.45 -0.11 -0.62 0.00 0.43 0.00 0.00 57.03 56.28 3ibb h ASP 290 Cb 1.21 -0.25 -0.13 0.00 -0.56 0.00 0.00 39.33 39.60 3ibb h ASP 290 CO 0.57 0.84 -0.52 -0.55 -1.57 0.00 0.00 179.24 178.01 3ibb s SER 291 N -6.38 6.02 0.39 6.45 0.15 -1.26 -4.96 113.70 114.11 3ibb s SER 291 Ca -0.12 0.21 0.06 0.00 0.70 0.00 0.00 55.95 56.81 3ibb s SER 291 Cb 0.16 -2.03 0.80 0.00 -1.71 0.00 0.00 66.02 63.25 3ibb s SER 291 CO 0.82 0.21 2.02 0.00 1.20 0.00 0.00 173.24 177.48 3ibb h ALA 292 N 6.43 1.63 -0.68 5.45 0.00 -2.04 -0.22 119.26 129.83 3ibb h ALA 292 Ca -0.42 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3ibb h ALA 292 Cb 1.17 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3ibb h ALA 292 CO 0.72 0.31 0.42 -0.91 0.00 0.00 0.00 179.25 179.78 3ibb h ASN 293 N 0.54 0.81 -3.04 0.00 -0.26 -1.97 -3.42 115.58 108.24 3ibb h ASN 293 Ca 0.14 -0.05 -0.53 0.00 -0.56 0.00 0.00 56.30 55.30 3ibb h ASN 293 Cb 0.03 -0.20 0.07 0.00 -1.06 0.00 0.00 38.32 37.16 3ibb h ASN 293 CO -0.02 0.62 0.95 0.00 -1.06 0.00 0.00 177.43 177.92 3ibb n GLN 294 N -4.57 2.77 -1.61 0.81 6.02 -0.10 -4.95 117.38 115.76 3ibb n GLN 294 Ca 0.06 0.99 -0.31 0.00 -0.01 0.00 0.00 57.00 57.72 3ibb n GLN 294 Cb 0.05 -2.81 0.05 0.00 1.02 0.00 0.00 30.24 28.55 3ibb n GLN 294 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 3ibb s PRO 295 N 0.21 2.87 0.04 -1.09 0.02 -1.26 -4.83 135.00 130.97 3ibb s PRO 295 Ca 0.69 1.07 0.00 0.00 0.02 0.00 0.00 61.00 62.78 3ibb s PRO 295 Cb -0.49 -1.98 -0.03 0.00 0.02 0.00 0.00 34.50 32.02 3ibb s PRO 295 CO 0.41 -1.16 -0.04 1.52 -0.33 0.00 0.00 177.00 177.40 3ibb s TYR 296 N -2.87 0.50 0.19 6.54 1.13 -1.26 -4.94 117.35 116.65 3ibb s TYR 296 Ca 0.60 -0.75 -0.32 0.00 -1.41 0.00 0.00 57.07 55.20 3ibb s TYR 296 Cb -0.15 -0.34 -0.11 0.00 -1.10 0.00 0.00 41.96 40.26 3ibb s TYR 296 CO 0.51 -0.23 1.63 0.34 -2.51 0.00 0.00 175.55 175.29 3ibb s ASP 297 N -2.17 6.49 0.16 -0.18 3.68 -1.26 -4.09 116.67 119.31 3ibb s ASP 297 Ca -0.04 2.74 -0.11 0.00 2.13 0.00 0.00 52.55 57.28 3ibb s ASP 297 Cb -0.02 -2.60 0.04 0.00 -1.45 0.00 0.00 42.92 38.89 3ibb s ASP 297 CO -0.04 -0.89 1.62 -0.03 0.13 0.00 0.00 175.17 175.96 3ibb h MET 298 N 6.58 0.97 -0.26 4.34 1.85 -1.96 -3.34 114.93 123.11 3ibb h MET 298 Ca -0.43 -0.31 0.07 0.00 -0.61 0.00 0.00 59.70 58.43 3ibb h MET 298 Cb 1.20 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 33.14 3ibb h MET 298 CO 0.92 0.97 0.28 0.45 -0.40 0.00 0.00 176.91 179.13 3ibb h HIS 299 N 0.85 0.00 -0.26 1.39 3.86 -1.91 1.87 115.15 120.94 3ibb h HIS 299 Ca 0.16 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.31 3ibb h HIS 299 Cb 0.54 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 3ibb h HIS 299 CO 0.04 0.00 -0.04 0.66 0.86 0.00 0.00 177.93 179.45 3ibb h SER 300 N 0.00 0.49 -0.58 2.45 4.64 -1.97 -2.41 113.55 116.18 3ibb h SER 300 Ca 0.12 -0.35 -0.05 0.00 -0.47 0.00 0.00 61.79 61.04 3ibb h SER 300 Cb 0.69 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.62 3ibb h SER 300 CO -0.00 0.72 0.17 0.58 -0.87 0.00 0.00 176.83 177.43 3ibb h VAL 301 N 0.25 1.24 -0.51 0.95 2.07 0.27 -1.67 116.25 118.85 3ibb h VAL 301 Ca 0.07 -0.85 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 3ibb h VAL 301 Cb 0.50 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3ibb h VAL 301 CO 0.02 0.32 0.10 0.40 0.02 0.00 0.00 177.57 178.44 3ibb h ILE 302 N 0.91 1.22 -0.87 4.57 2.04 -1.54 -2.54 117.51 121.31 3ibb h ILE 302 Ca 0.20 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.24 3ibb h ILE 302 Cb 0.30 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 3ibb h ILE 302 CO -0.00 0.30 0.56 -0.33 0.00 0.00 0.00 178.15 178.67 3ibb h GLU 303 N 0.75 1.15 0.01 2.37 5.08 -0.80 -2.13 114.58 121.00 3ibb h GLU 303 Ca 0.16 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3ibb h GLU 303 Cb 0.31 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3ibb h GLU 303 CO 0.00 0.78 -0.00 0.45 -1.00 0.00 0.00 179.01 179.24 3ibb h HIS 304 N 1.18 -0.01 -0.25 4.33 3.86 -0.90 -3.16 115.15 120.20 3ibb h HIS 304 Ca 0.32 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.43 3ibb h HIS 304 Cb -0.11 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.36 3ibb h HIS 304 CO 0.00 0.07 -0.21 -0.39 0.86 0.00 0.00 177.93 178.26 3ibb h VAL 305 N -0.08 1.31 -4.06 2.45 -1.51 -1.50 -3.47 116.25 109.39 3ibb h VAL 305 Ca -0.00 -1.36 -0.53 0.00 -1.23 0.00 0.00 66.70 63.58 3ibb h VAL 305 Cb 0.08 1.63 0.11 0.00 -2.13 0.00 0.00 31.29 30.97 3ibb h VAL 305 CO 0.00 0.43 0.51 -0.76 -1.23 0.00 0.00 177.57 176.52 3ibb s LEU 306 N -9.06 3.80 0.23 4.19 1.43 -0.81 -4.92 118.68 113.54 3ibb s LEU 306 Ca -0.13 2.46 -0.31 0.00 -1.03 0.00 0.00 54.13 55.12 3ibb s LEU 306 Cb 0.08 -4.42 -0.11 0.00 0.03 0.00 0.00 46.19 41.76 3ibb s LEU 306 CO 0.80 -1.41 1.64 -1.81 0.23 0.00 0.00 176.35 175.80 3ibb s ASP 307 N -1.37 6.43 0.00 2.29 1.11 0.30 -2.16 116.67 123.27 3ibb s ASP 307 Ca 0.72 2.84 0.00 0.00 0.18 0.00 0.00 52.55 56.29 3ibb s ASP 307 Cb -0.32 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.06 3ibb s ASP 307 CO 0.37 -0.91 0.00 0.47 1.18 0.00 0.00 175.17 176.28 3ibb n ASP 308 N 3.36 0.00 -2.69 0.27 8.00 -1.26 -2.88 116.55 121.35 3ibb n ASP 308 Ca 0.13 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.45 3ibb n ASP 308 Cb 0.37 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 3ibb n ASP 308 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ibb n ALA 309 N 0.84 -0.83 -2.84 2.24 0.00 -0.92 -4.91 120.51 114.10 3ibb n ALA 309 Ca 0.00 0.14 -0.36 0.00 0.00 0.00 0.00 53.44 53.22 3ibb n ALA 309 Cb 0.00 -2.27 -0.11 0.00 0.00 0.00 0.00 19.45 17.07 3ibb n ALA 309 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3ibb s GLU 310 N -5.32 3.87 -0.12 0.00 2.12 -1.14 -4.91 118.70 113.20 3ibb s GLU 310 Ca 0.12 -0.38 0.02 0.00 0.36 0.00 0.00 54.97 55.10 3ibb s GLU 310 Cb -0.06 -3.38 -0.00 0.00 0.26 0.00 0.00 34.13 30.95 3ibb s GLU 310 CO 0.15 -0.01 -0.20 0.12 -0.54 0.00 0.00 175.26 174.78 3ibb s PHE 311 N 1.17 2.67 0.47 5.30 5.36 -1.26 -4.71 117.98 126.98 3ibb s PHE 311 Ca 0.05 -1.00 -0.23 0.00 -0.96 0.00 0.00 56.93 54.79 3ibb s PHE 311 Cb -0.14 -1.78 -0.07 0.00 -0.34 0.00 0.00 43.02 40.68 3ibb s PHE 311 CO 0.04 -0.41 1.22 0.12 -1.46 0.00 0.00 175.22 174.73 3ibb s PHE 312 N 0.49 2.76 -0.09 10.12 5.36 -1.12 -5.03 117.98 130.47 3ibb s PHE 312 Ca -0.13 1.49 0.04 0.00 -0.96 0.00 0.00 56.93 57.37 3ibb s PHE 312 Cb -0.17 -3.49 -0.00 0.00 -0.34 0.00 0.00 43.02 39.02 3ibb s PHE 312 CO 0.05 -1.84 -0.23 -1.21 -1.46 0.00 0.00 175.22 170.53 3ibb s GLU 313 N -2.68 2.81 -0.09 10.12 0.41 -1.26 -4.08 118.70 123.93 3ibb s GLU 313 Ca 0.64 -0.85 0.04 0.00 -0.41 0.00 0.00 54.97 54.39 3ibb s GLU 313 Cb -0.32 -2.19 0.00 0.00 -1.78 0.00 0.00 34.13 29.84 3ibb s GLU 313 CO 0.39 0.22 -0.21 0.95 -0.49 0.00 0.00 175.26 176.12 3ibb s THR 314 N 0.23 1.85 -1.31 3.63 -4.23 -0.93 -4.70 115.64 110.18 3ibb s THR 314 Ca -0.15 -0.90 -0.05 0.00 -1.18 0.00 0.00 61.69 59.41 3ibb s THR 314 Cb -0.17 -1.61 0.01 0.00 1.34 0.00 0.00 72.50 72.07 3ibb s THR 314 CO 0.07 0.51 1.01 0.00 -0.54 0.00 0.00 174.62 175.68 3ibb n GLN 315 N 3.56 -6.68 -0.23 3.99 6.02 0.32 -4.57 117.38 119.79 3ibb n GLN 315 Ca -0.20 0.77 -0.06 0.00 -0.01 0.00 0.00 57.00 57.51 3ibb n GLN 315 Cb 0.53 -5.72 0.04 0.00 1.02 0.00 0.00 30.24 26.11 3ibb n GLN 315 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 3ibb h PRO 316 N -2.19 0.89 -0.35 -1.09 0.11 -1.84 -2.14 132.00 125.38 3ibb h PRO 316 Ca -0.59 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 65.41 3ibb h PRO 316 Cb 1.36 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3ibb h PRO 316 CO 0.55 0.63 0.11 -0.07 -0.21 0.00 0.00 178.00 179.02 3ibb h LEU 317 N 0.88 0.51 -9.78 2.35 4.07 -1.89 -3.39 115.31 108.06 3ibb h LEU 317 Ca 0.23 -0.21 -0.53 0.00 0.08 0.00 0.00 57.88 57.46 3ibb h LEU 317 Cb -0.02 -0.13 0.07 0.00 1.08 0.00 0.00 40.66 41.65 3ibb h LEU 317 CO -0.04 0.58 0.79 0.12 -1.08 0.00 0.00 178.44 178.81 3ibb s PHE 318 N -5.40 2.93 -0.73 1.13 5.36 -0.81 -4.18 117.98 116.28 3ibb s PHE 318 Ca -0.13 0.98 -0.03 0.00 -0.96 0.00 0.00 56.93 56.80 3ibb s PHE 318 Cb 0.09 -3.89 0.00 0.00 -0.34 0.00 0.00 43.02 38.88 3ibb s PHE 318 CO 0.75 -2.90 0.51 0.00 -1.46 0.00 0.00 175.22 172.12 3ibb n ALA 319 N 2.13 -2.52 -0.07 11.12 0.00 -1.26 -4.78 120.51 125.13 3ibb n ALA 319 Ca 0.07 -0.26 0.01 0.00 0.00 0.00 0.00 53.44 53.26 3ibb n ALA 319 Cb 0.39 -0.70 0.33 0.00 0.00 0.00 0.00 19.45 19.47 3ibb n ALA 319 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3ibb h PRO 320 N -0.24 0.68 -0.63 0.00 0.11 -1.77 -2.90 132.00 127.26 3ibb h PRO 320 Ca -0.55 -0.07 0.08 0.00 0.11 0.00 0.00 66.00 65.56 3ibb h PRO 320 Cb 1.19 -0.14 -0.06 0.00 0.11 0.00 0.00 31.00 32.10 3ibb h PRO 320 CO 0.32 0.52 0.30 -2.95 -0.21 0.00 0.00 178.00 175.98 3ibb h ASN 321 N 0.69 0.39 -3.24 -2.05 -1.07 -1.85 -3.41 115.58 105.03 3ibb h ASN 321 Ca 0.17 0.05 -0.57 0.00 0.07 0.00 0.00 56.30 56.02 3ibb h ASN 321 Cb 0.05 -0.01 -0.04 0.00 -2.07 0.00 0.00 38.32 36.24 3ibb h ASN 321 CO -0.03 0.24 -0.03 -0.51 0.07 0.00 0.00 177.43 177.18 3ibb s ILE 322 N -6.09 4.73 -0.10 6.14 2.07 -1.10 0.46 121.20 127.30 3ibb s ILE 322 Ca -0.13 1.23 0.03 0.00 -1.41 0.00 0.00 60.65 60.38 3ibb s ILE 322 Cb 0.16 -3.90 0.00 0.00 0.13 0.00 0.00 42.46 38.85 3ibb s ILE 322 CO 0.75 0.55 -0.22 -0.76 -1.91 0.00 0.00 174.94 173.35 3ibb s LEU 323 N -1.12 2.03 0.03 8.50 1.43 0.33 -4.88 118.68 125.00 3ibb s LEU 323 Ca 0.29 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 3ibb s LEU 323 Cb -0.20 -1.34 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 3ibb s LEU 323 CO 0.19 0.13 -0.05 0.42 0.23 0.00 0.00 176.35 177.27 3ibb s THR 324 N 0.49 0.29 -5.00 5.49 -4.23 -1.21 -1.16 115.64 110.32 3ibb s THR 324 Ca -0.16 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.39 3ibb s THR 324 Cb -0.17 -0.40 0.00 0.00 1.34 0.00 0.00 72.50 73.27 3ibb s THR 324 CO 0.06 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.31 3ibb n GLY 325 N 1.57 -0.83 3.23 3.99 0.00 -1.16 -2.19 105.19 109.80 3ibb n GLY 325 Ca -0.23 -1.58 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 3ibb n GLY 325 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ibb s PHE 326 N -1.95 2.15 0.27 1.61 0.08 -1.26 0.23 117.98 119.12 3ibb s PHE 326 Ca 0.00 -0.58 0.02 0.00 0.12 0.00 0.00 56.93 56.49 3ibb s PHE 326 Cb 0.00 -1.41 -0.05 0.00 -0.57 0.00 0.00 43.02 40.99 3ibb s PHE 326 CO 0.00 -0.16 0.11 0.20 -0.10 0.00 0.00 175.22 175.28 3ibb s GLY 327 N -0.21 1.85 -0.13 4.36 0.00 -0.49 -2.80 107.32 109.90 3ibb s GLY 327 Ca -0.00 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 42.90 3ibb s GLY 327 CO 0.02 -1.60 -0.12 0.50 0.00 0.00 0.00 173.10 171.90 3ibb s ARG 328 N -3.97 2.03 -0.22 2.90 0.52 -1.26 -0.25 118.95 118.71 3ibb s ARG 328 Ca 0.37 -0.46 -0.03 0.00 -0.52 0.00 0.00 55.73 55.08 3ibb s ARG 328 Cb 0.07 -1.89 -0.01 0.00 0.52 0.00 0.00 34.95 33.64 3ibb s ARG 328 CO 0.15 -0.21 -0.06 0.08 0.02 0.00 0.00 175.30 175.28 3ibb s VAL 329 N 1.44 3.25 0.00 3.52 1.01 -0.90 0.11 120.40 128.84 3ibb s VAL 329 Ca 0.02 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.47 3ibb s VAL 329 Cb -0.13 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.78 3ibb s VAL 329 CO -0.08 0.44 0.00 -0.62 0.00 0.00 0.00 175.10 174.84 3ibb n GLU 330 N 4.76 0.00 0.00 2.72 1.02 -1.26 0.38 120.64 128.26 3ibb n GLU 330 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 3ibb n GLU 330 Cb 0.51 -3.28 0.00 0.00 -0.02 0.00 0.00 31.44 28.65 3ibb n GLU 330 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ibb n GLY 331 N -2.00 0.98 3.42 0.62 0.00 -1.26 -1.52 105.19 105.43 3ibb n GLY 331 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3ibb n GLY 331 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ibb s ARG 332 N -0.75 3.19 0.39 1.61 6.06 0.16 -2.90 118.95 126.71 3ibb s ARG 332 Ca 0.00 -0.66 -0.26 0.00 -2.50 0.00 0.00 55.73 52.31 3ibb s ARG 332 Cb 0.00 -2.61 -0.09 0.00 0.06 0.00 0.00 34.95 32.31 3ibb s ARG 332 CO 0.00 0.34 1.31 -2.14 -2.50 0.00 0.00 175.30 172.31 3ibb s PRO 333 N 0.04 4.03 0.02 5.12 0.02 -1.26 -2.11 135.00 140.85 3ibb s PRO 333 Ca -0.04 2.18 -0.01 0.00 0.02 0.00 0.00 61.00 63.16 3ibb s PRO 333 Cb -0.14 -2.81 -0.02 0.00 0.02 0.00 0.00 34.50 31.55 3ibb s PRO 333 CO 0.04 -0.45 -0.01 0.14 -0.33 0.00 0.00 177.00 176.39 3ibb s VAL 334 N -1.24 0.11 0.78 3.83 -7.23 0.66 -4.00 120.40 113.30 3ibb s VAL 334 Ca 0.55 -0.88 -0.12 0.00 -1.81 0.00 0.00 61.98 59.73 3ibb s VAL 334 Cb -0.39 -0.28 0.06 0.00 0.56 0.00 0.00 36.38 36.34 3ibb s VAL 334 CO 0.50 -0.48 1.15 -0.83 -0.31 0.00 0.00 175.10 175.12 3ibb s GLY 335 N -1.44 1.60 -0.16 2.32 0.00 0.09 -1.39 107.32 108.35 3ibb s GLY 335 Ca -0.16 -0.52 -0.04 0.00 0.00 0.00 0.00 44.72 44.01 3ibb s GLY 335 CO -0.01 -0.07 0.22 -0.42 0.00 0.00 0.00 173.10 172.83 3ibb s ILE 336 N -3.47 -0.34 -0.23 0.90 -1.09 0.14 -2.23 121.20 114.88 3ibb s ILE 336 Ca 0.61 0.10 -0.05 0.00 -2.23 0.00 0.00 60.65 59.08 3ibb s ILE 336 Cb -0.11 -0.53 -0.01 0.00 -1.58 0.00 0.00 42.46 40.22 3ibb s ILE 336 CO 0.50 -0.04 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.47 3ibb s VAL 337 N 2.35 3.63 0.02 2.92 1.01 -1.08 -2.97 120.40 126.27 3ibb s VAL 337 Ca 0.05 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.63 3ibb s VAL 337 Cb -0.14 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 3ibb s VAL 337 CO -0.10 0.40 -0.06 0.00 0.00 0.00 0.00 175.10 175.34 3ibb s ALA 338 N 1.52 0.42 0.49 5.51 0.00 -0.30 0.20 121.76 129.59 3ibb s ALA 338 Ca 0.06 -0.54 -0.21 0.00 0.00 0.00 0.00 51.96 51.26 3ibb s ALA 338 Cb -0.14 0.02 -0.07 0.00 0.00 0.00 0.00 23.12 22.92 3ibb s ALA 338 CO -0.01 -0.01 1.12 -0.80 0.00 0.00 0.00 175.76 176.05 3ibb s ASN 339 N -1.07 6.06 -0.27 0.00 0.01 -1.07 0.12 114.94 118.73 3ibb s ASN 339 Ca -0.07 2.16 -0.07 0.00 -0.71 0.00 0.00 52.86 54.17 3ibb s ASN 339 Cb -0.07 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 39.00 3ibb s ASN 339 CO -0.00 -0.98 0.07 -1.58 -1.51 0.00 0.00 177.10 173.09 3ibb s GLN 340 N -3.02 3.35 0.30 -0.60 2.00 1.63 -4.70 119.66 118.62 3ibb s GLN 340 Ca 0.68 -0.68 0.01 0.00 -2.00 0.00 0.00 55.36 53.36 3ibb s GLN 340 Cb -0.24 -3.32 0.46 0.00 0.80 0.00 0.00 33.01 30.71 3ibb s GLN 340 CO 0.28 -0.32 1.83 -1.35 -0.50 0.00 0.00 175.29 175.24 3ibb h PRO 341 N 8.23 0.72 -0.68 1.67 0.11 -1.83 -2.95 132.00 137.27 3ibb h PRO 341 Ca -0.35 -0.15 0.02 0.00 0.11 0.00 0.00 66.00 65.62 3ibb h PRO 341 Cb 1.15 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.12 3ibb h PRO 341 CO 0.60 0.69 0.45 0.52 -0.21 0.00 0.00 178.00 180.04 3ibb h MET 342 N 0.69 0.83 -4.94 1.05 2.86 -1.93 -3.24 114.93 110.25 3ibb h MET 342 Ca 0.15 -0.05 -0.66 0.00 -2.06 0.00 0.00 59.70 57.08 3ibb h MET 342 Cb 0.33 -0.19 -0.26 0.00 0.06 0.00 0.00 31.60 31.54 3ibb h MET 342 CO 0.01 0.55 -0.68 -0.65 1.06 0.00 0.00 176.91 177.20 3ibb s GLN 343 N -5.74 3.36 0.00 1.72 -1.52 -1.23 -4.56 119.66 111.69 3ibb s GLN 343 Ca -0.10 -0.66 0.00 0.00 -1.95 0.00 0.00 55.36 52.65 3ibb s GLN 343 Cb 0.18 -3.17 0.00 0.00 -0.22 0.00 0.00 33.01 29.80 3ibb s GLN 343 CO 0.77 -0.26 0.00 1.19 -0.25 0.00 0.00 175.29 176.74 3ibb n PHE 344 N 4.84 0.00 -0.77 0.91 3.01 -1.26 -1.16 117.46 123.02 3ibb n PHE 344 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.29 3ibb n PHE 344 Cb 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 3ibb n PHE 344 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ibb n ALA 345 N -0.57 0.00 -2.26 4.37 0.00 -1.24 -4.36 120.51 116.44 3ibb n ALA 345 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 3ibb n ALA 345 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3ibb n ALA 345 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ibb n GLY 346 N -2.26 -0.11 3.83 0.00 0.00 -0.31 -4.56 105.19 101.79 3ibb n GLY 346 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3ibb n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibb s LEU 348 N -5.00 3.45 0.36 0.00 1.43 -1.10 -4.89 118.68 112.92 3ibb s LEU 348 Ca 0.59 1.75 -0.15 0.00 -1.03 0.00 0.00 54.13 55.28 3ibb s LEU 348 Cb -0.13 -4.52 0.04 0.00 0.03 0.00 0.00 46.19 41.61 3ibb s LEU 348 CO 0.47 -1.13 0.74 1.51 0.23 0.00 0.00 176.35 178.16 3ibb s ASP 349 N -3.01 0.05 0.22 2.29 3.84 -1.26 -0.73 116.67 118.07 3ibb s ASP 349 Ca 0.62 -1.09 -0.09 0.00 -0.00 0.00 0.00 52.55 52.00 3ibb s ASP 349 Cb -0.15 0.81 0.22 0.00 -1.38 0.00 0.00 42.92 42.42 3ibb s ASP 349 CO 0.40 -1.58 1.86 0.40 -0.00 0.00 0.00 175.17 176.25 3ibb h ILE 350 N 2.02 1.12 -0.54 2.11 2.04 -1.94 -2.31 117.51 120.01 3ibb h ILE 350 Ca -0.29 -0.33 -0.05 0.00 1.00 0.00 0.00 64.86 65.19 3ibb h ILE 350 Cb 1.25 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 3ibb h ILE 350 CO 0.37 0.18 0.14 0.71 0.00 0.00 0.00 178.15 179.55 3ibb h THR 351 N 0.96 1.24 -0.38 -0.27 1.35 -1.98 -2.66 112.91 111.18 3ibb h THR 351 Ca 0.31 -0.85 -0.06 0.00 -0.55 0.00 0.00 66.41 65.26 3ibb h THR 351 Cb 0.01 0.77 -0.01 0.00 -1.73 0.00 0.00 68.15 67.19 3ibb h THR 351 CO -0.11 0.31 0.01 0.00 -0.25 0.00 0.00 175.52 175.48 3ibb h ALA 352 N 1.01 0.51 -0.64 6.62 0.00 -1.75 0.05 119.26 125.06 3ibb h ALA 352 Ca 0.17 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3ibb h ALA 352 Cb 0.32 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3ibb h ALA 352 CO -0.00 0.28 0.20 0.66 0.00 0.00 0.00 179.25 180.39 3ibb h SER 353 N 0.49 0.91 -0.21 0.00 4.64 -1.64 0.78 113.55 118.53 3ibb h SER 353 Ca 0.11 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3ibb h SER 353 Cb 0.46 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 3ibb h SER 353 CO 0.02 0.86 0.12 -0.33 -0.87 0.00 0.00 176.83 176.63 3ibb h GLU 354 N 0.95 0.28 -0.31 4.77 5.08 -1.46 -2.59 114.58 121.31 3ibb h GLU 354 Ca 0.21 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3ibb h GLU 354 Cb 0.27 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3ibb h GLU 354 CO -0.01 0.24 0.18 -0.22 -1.00 0.00 0.00 179.01 178.20 3ibb h LYS 355 N 0.24 0.42 -0.29 2.33 3.64 -0.39 -3.12 116.57 119.39 3ibb h LYS 355 Ca 0.07 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 3ibb h LYS 355 Cb 0.04 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3ibb h LYS 355 CO -0.01 0.34 -0.12 0.00 -2.27 0.00 0.00 179.45 177.39 3ibb h ALA 356 N 1.06 0.41 -0.66 5.00 0.00 0.42 -3.21 119.26 122.29 3ibb h ALA 356 Ca 0.11 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3ibb h ALA 356 Cb 0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3ibb h ALA 356 CO -0.02 0.28 0.26 0.00 0.00 0.00 0.00 179.25 179.76 3ibb h ALA 357 N 0.76 1.21 -0.30 0.00 0.00 -1.58 0.41 119.26 119.77 3ibb h ALA 357 Ca 0.07 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3ibb h ALA 357 Cb 0.62 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3ibb h ALA 357 CO 0.04 0.57 0.17 -0.09 0.00 0.00 0.00 179.25 179.94 3ibb h ARG 358 N 0.95 0.41 -0.47 0.00 1.12 -1.69 -2.22 114.38 112.49 3ibb h ARG 358 Ca 0.22 -0.04 -0.06 0.00 -1.11 0.00 0.00 59.98 58.99 3ibb h ARG 358 Cb 0.19 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.05 3ibb h ARG 358 CO -0.02 0.33 0.04 0.35 -3.11 0.00 0.00 179.97 177.57 3ibb h PHE 359 N 0.37 0.86 -0.82 2.20 3.57 -1.23 0.99 116.94 122.88 3ibb h PHE 359 Ca 0.11 -0.13 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 3ibb h PHE 359 Cb 0.04 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.51 3ibb h PHE 359 CO -0.04 0.82 0.35 0.28 -2.23 0.00 0.00 178.31 177.49 3ibb h VAL 360 N 0.66 1.26 -0.66 1.41 2.07 -0.22 1.07 116.25 121.85 3ibb h VAL 360 Ca 0.14 -0.79 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 3ibb h VAL 360 Cb 0.44 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 3ibb h VAL 360 CO 0.02 0.33 0.17 0.03 0.02 0.00 0.00 177.57 178.13 3ibb h ARG 361 N 1.19 1.05 -0.74 1.57 3.08 -1.33 -2.36 114.38 116.83 3ibb h ARG 361 Ca 0.28 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 3ibb h ARG 361 Cb 0.18 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 3ibb h ARG 361 CO -0.03 0.94 0.30 1.15 -1.07 0.00 0.00 179.97 181.26 3ibb h THR 362 N 0.97 1.25 -0.13 2.04 2.02 0.25 -1.28 112.91 118.02 3ibb h THR 362 Ca 0.21 -0.77 -0.00 0.00 0.77 0.00 0.00 66.41 66.62 3ibb h THR 362 Cb 0.36 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3ibb h THR 362 CO 0.00 0.31 0.08 0.00 0.37 0.00 0.00 175.52 176.28 3ibb h ASP 364 N 0.13 0.69 -0.88 0.00 3.58 -0.84 -2.48 116.42 116.61 3ibb h ASP 364 Ca 0.05 -0.17 0.01 0.00 0.42 0.00 0.00 57.03 57.33 3ibb h ASP 364 Cb 0.04 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 40.86 3ibb h ASP 364 CO -0.01 0.79 0.59 0.00 -2.88 0.00 0.00 179.24 177.73 3ibb h ALA 365 N 1.29 1.37 -0.53 -0.78 0.00 -1.28 -2.37 119.26 116.96 3ibb h ALA 365 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ibb h ALA 365 Cb 0.48 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3ibb h ALA 365 CO 0.02 0.58 0.00 1.19 0.00 0.00 0.00 179.25 181.05 3ibb n PHE 366 N -4.40 0.70 -3.22 0.00 3.72 -1.11 -4.81 117.46 108.34 3ibb n PHE 366 Ca 0.10 -0.35 -0.15 0.00 -0.05 0.00 0.00 57.45 57.01 3ibb n PHE 366 Cb 0.02 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.64 3ibb n PHE 366 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3ibb n ASN 367 N 1.47 -2.36 -4.24 4.37 3.02 -0.89 -4.30 115.26 112.33 3ibb n ASN 367 Ca 0.21 -0.54 -0.35 0.00 -0.03 0.00 0.00 54.58 53.87 3ibb n ASN 367 Cb 0.59 -4.52 -0.14 0.00 -0.61 0.00 0.00 39.78 35.10 3ibb n ASN 367 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ibb s VAL 368 N -3.31 3.18 0.41 2.41 1.01 -0.95 -4.38 120.40 118.76 3ibb s VAL 368 Ca 0.03 -0.94 -0.26 0.00 0.00 0.00 0.00 61.98 60.81 3ibb s VAL 368 Cb -0.00 -2.63 -0.09 0.00 0.00 0.00 0.00 36.38 33.66 3ibb s VAL 368 CO 0.63 0.16 1.36 -2.84 0.00 0.00 0.00 175.10 174.41 3ibb s PRO 369 N 1.37 3.96 -0.24 2.72 0.02 -1.26 -4.38 135.00 137.20 3ibb s PRO 369 Ca 0.01 2.29 -0.08 0.00 0.02 0.00 0.00 61.00 63.23 3ibb s PRO 369 Cb -0.17 -2.79 -0.04 0.00 0.02 0.00 0.00 34.50 31.52 3ibb s PRO 369 CO -0.02 -0.55 0.10 0.08 -0.33 0.00 0.00 177.00 176.27 3ibb s VAL 370 N -1.21 4.68 -0.27 3.83 1.01 -0.29 -0.73 120.40 127.42 3ibb s VAL 370 Ca 0.56 -0.05 -0.07 0.00 0.00 0.00 0.00 61.98 62.42 3ibb s VAL 370 Cb -0.41 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 3ibb s VAL 370 CO 0.53 0.35 0.07 -0.76 0.00 0.00 0.00 175.10 175.29 3ibb s LEU 371 N 1.32 3.58 -0.13 3.92 1.43 -0.95 -2.13 118.68 125.72 3ibb s LEU 371 Ca 0.06 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.74 3ibb s LEU 371 Cb -0.15 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.19 3ibb s LEU 371 CO 0.05 -0.10 -0.20 0.28 0.23 0.00 0.00 176.35 176.61 3ibb s THR 372 N 1.56 1.86 -0.09 5.49 -1.32 -0.31 -2.65 115.64 120.18 3ibb s THR 372 Ca 0.05 -0.86 0.04 0.00 -1.21 0.00 0.00 61.69 59.71 3ibb s THR 372 Cb -0.16 -1.66 0.00 0.00 -1.51 0.00 0.00 72.50 69.17 3ibb s THR 372 CO 0.03 0.51 -0.22 -0.36 -2.21 0.00 0.00 174.62 172.37 3ibb s PHE 373 N 0.87 2.35 -0.30 9.09 0.40 0.53 -1.45 117.98 129.47 3ibb s PHE 373 Ca -0.07 -0.91 -0.07 0.00 -0.60 0.00 0.00 56.93 55.28 3ibb s PHE 373 Cb -0.15 -1.58 0.01 0.00 0.51 0.00 0.00 43.02 41.81 3ibb s PHE 373 CO -0.02 -0.36 0.08 0.08 0.70 0.00 0.00 175.22 175.70 3ibb s VAL 374 N 0.32 3.90 -0.29 -0.44 1.01 0.22 -2.59 120.40 122.53 3ibb s VAL 374 Ca -0.16 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 3ibb s VAL 374 Cb -0.17 -3.04 0.10 0.00 0.00 0.00 0.00 36.38 33.26 3ibb s VAL 374 CO 0.07 0.04 0.12 -0.62 0.00 0.00 0.00 175.10 174.71 3ibb s ASP 375 N 1.48 3.59 -0.05 3.32 2.15 -1.26 0.41 116.67 126.31 3ibb s ASP 375 Ca 0.02 -1.33 0.03 0.00 0.43 0.00 0.00 52.55 51.70 3ibb s ASP 375 Cb -0.18 -0.48 0.00 0.00 -0.30 0.00 0.00 42.92 41.96 3ibb s ASP 375 CO 0.02 -0.43 -0.14 0.54 -0.17 0.00 0.00 175.17 174.99 3ibb s VAL 376 N 1.97 1.25 -1.70 1.11 0.11 0.26 -4.64 120.40 118.75 3ibb s VAL 376 Ca 0.09 -0.59 0.20 0.00 -2.93 0.00 0.00 61.98 58.75 3ibb s VAL 376 Cb -0.16 -1.10 -0.04 0.00 -1.53 0.00 0.00 36.38 33.55 3ibb s VAL 376 CO -0.32 0.37 0.97 -0.81 -3.33 0.00 0.00 175.10 171.99 3ibb n PRO 377 N 3.40 1.30 -0.98 1.54 -0.04 -1.26 -2.58 135.00 136.38 3ibb n PRO 377 Ca -0.20 -0.80 0.00 0.00 -0.04 0.00 0.00 63.50 62.46 3ibb n PRO 377 Cb 0.53 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 3ibb n PRO 377 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ibb n GLY 378 N 1.34 0.58 3.43 0.55 0.00 -1.25 -4.63 105.19 105.20 3ibb n GLY 378 Ca 0.08 -1.70 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 3ibb n GLY 378 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ibb s PHE 379 N -2.85 2.78 0.03 1.61 0.40 -1.26 -2.72 117.98 115.97 3ibb s PHE 379 Ca 0.00 -0.41 -0.36 0.00 -0.60 0.00 0.00 56.93 55.56 3ibb s PHE 379 Cb 0.00 -1.76 -0.15 0.00 0.51 0.00 0.00 43.02 41.63 3ibb s PHE 379 CO 0.00 -0.02 1.58 -0.11 0.70 0.00 0.00 175.22 177.37 3ibb n LEU 380 N 2.99 2.59 -4.78 -0.37 7.94 0.10 -4.94 117.00 120.52 3ibb n LEU 380 Ca -0.18 1.07 -0.32 0.00 -1.11 0.00 0.00 56.01 55.48 3ibb n LEU 380 Cb 0.52 -1.30 0.06 0.00 0.53 0.00 0.00 43.42 43.23 3ibb n LEU 380 CO 0.28 -0.51 0.72 -2.84 -1.11 0.00 0.00 177.39 173.93 3ibb s PRO 381 N 1.73 2.73 0.00 1.96 0.02 -1.26 -4.97 135.00 135.22 3ibb s PRO 381 Ca 0.86 1.20 0.00 0.00 0.02 0.00 0.00 61.00 63.08 3ibb s PRO 381 Cb -0.83 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 31.74 3ibb s PRO 381 CO 0.47 -1.28 0.00 0.41 -0.33 0.00 0.00 177.00 176.27 3ibb n GLY 382 N -1.11 4.34 0.33 0.52 0.00 -1.26 -4.92 105.19 103.09 3ibb n GLY 382 Ca 0.09 -1.23 -0.04 0.00 0.00 0.00 0.00 46.02 44.85 3ibb n GLY 382 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ibb h VAL 383 N 0.32 1.24 -0.56 1.61 2.07 -2.01 -3.01 116.25 115.90 3ibb h VAL 383 Ca 0.00 -0.76 0.01 0.00 0.82 0.00 0.00 66.70 66.76 3ibb h VAL 383 Cb 0.00 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 3ibb h VAL 383 CO 0.00 0.30 0.37 -2.24 0.02 0.00 0.00 177.57 176.02 3ibb h ASP 384 N 0.98 0.64 -0.61 0.57 2.03 -1.99 -1.93 116.42 116.12 3ibb h ASP 384 Ca 0.23 -0.02 -0.04 0.00 -0.73 0.00 0.00 57.03 56.47 3ibb h ASP 384 Cb 0.21 -0.16 -0.03 0.00 -0.83 0.00 0.00 39.33 38.53 3ibb h ASP 384 CO -0.02 0.46 0.22 1.56 -1.03 0.00 0.00 179.24 180.43 3ibb h GLN 385 N 0.75 0.92 -0.09 4.15 1.08 -1.88 0.76 115.11 120.80 3ibb h GLN 385 Ca 0.21 -0.18 -0.03 0.00 -1.45 0.00 0.00 58.65 57.20 3ibb h GLN 385 Cb -0.08 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.21 3ibb h GLN 385 CO -0.04 0.80 -0.05 0.93 -0.95 0.00 0.00 178.83 179.51 3ibb h GLU 386 N 0.85 0.19 -0.64 1.46 4.39 -1.37 -1.19 114.58 118.27 3ibb h GLU 386 Ca 0.20 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 59.75 3ibb h GLU 386 Cb 0.24 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 3ibb h GLU 386 CO -0.01 0.57 0.18 0.45 -1.16 0.00 0.00 179.01 179.04 3ibb h HIS 387 N -0.18 1.05 -0.57 4.33 3.86 -1.41 -2.07 115.15 120.16 3ibb h HIS 387 Ca 0.02 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.10 3ibb h HIS 387 Cb 0.52 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.66 3ibb h HIS 387 CO 0.07 0.86 0.29 -0.44 0.86 0.00 0.00 177.93 179.58 3ibb h ASP 388 N 0.93 0.70 0.00 2.45 3.32 0.39 -3.47 116.42 120.74 3ibb h ASP 388 Ca 0.20 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3ibb h ASP 388 Cb 0.32 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3ibb h ASP 388 CO -0.00 0.58 0.00 0.61 -1.72 0.00 0.00 179.24 178.71 3ibb n GLY 389 N -1.24 1.22 0.10 2.75 0.00 -0.78 -5.05 105.19 102.20 3ibb n GLY 389 Ca 0.05 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 3ibb n GLY 389 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3ibb n ILE 390 N 1.16 1.21 -0.10 -0.61 0.13 -0.47 -4.27 119.36 116.41 3ibb n ILE 390 Ca 0.00 -0.59 -0.11 0.00 -1.10 0.00 0.00 62.75 60.95 3ibb n ILE 390 Cb 0.00 -0.92 -0.03 0.00 -0.84 0.00 0.00 39.64 37.84 3ibb n ILE 390 CO 0.00 0.00 0.00 0.40 2.80 0.00 0.00 176.55 179.75 3ibb h ILE 391 N 0.00 1.23 -0.30 9.51 2.04 -1.88 -1.05 117.51 127.06 3ibb h ILE 391 Ca -0.47 -0.79 -0.10 0.00 1.00 0.00 0.00 64.86 64.50 3ibb h ILE 391 Cb 1.89 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 39.15 3ibb h ILE 391 CO -0.03 0.26 -0.20 0.08 0.00 0.00 0.00 178.15 178.26 3ibb h ARG 392 N 0.30 0.66 -0.01 2.37 0.11 -1.98 -3.24 114.38 112.60 3ibb h ARG 392 Ca 0.09 -0.32 -0.00 0.00 0.10 0.00 0.00 59.98 59.85 3ibb h ARG 392 Cb 0.33 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.41 3ibb h ARG 392 CO 0.01 0.91 0.00 0.00 0.10 0.00 0.00 179.97 180.99 3ibb h ARG 393 N 0.41 0.01 -0.76 0.08 3.08 -1.74 -3.35 114.38 112.11 3ibb h ARG 393 Ca 0.06 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 3ibb h ARG 393 Cb 0.75 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.76 3ibb h ARG 393 CO 0.06 0.28 0.28 0.78 -1.07 0.00 0.00 179.97 180.30 3ibb h GLY 394 N -0.26 1.24 2.00 0.04 0.00 -1.38 -3.15 103.07 101.56 3ibb h GLY 394 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.64 3ibb h GLY 394 CO 0.00 0.65 0.00 0.00 0.00 0.00 0.00 176.54 177.19 3ibb h ALA 395 N 1.15 1.00 -0.64 3.60 0.00 -1.68 0.20 119.26 122.89 3ibb h ALA 395 Ca 0.25 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.18 3ibb h ALA 395 Cb 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3ibb h ALA 395 CO -0.02 0.00 0.42 0.87 0.00 0.00 0.00 179.25 180.52 3ibb h LYS 396 N 0.00 0.78 -0.78 0.00 1.57 -1.69 -2.44 116.57 114.01 3ibb h LYS 396 Ca 0.00 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 3ibb h LYS 396 Cb 0.03 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 3ibb h LYS 396 CO 0.00 0.51 0.32 -0.07 -0.57 0.00 0.00 179.45 179.64 3ibb h LEU 397 N 0.80 1.07 -1.06 2.94 3.38 -0.80 0.62 115.31 122.26 3ibb h LEU 397 Ca 0.25 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3ibb h LEU 397 Cb 0.01 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 3ibb h LEU 397 CO -0.06 0.95 0.58 0.40 0.09 0.00 0.00 178.44 180.40 3ibb h ILE 398 N 1.12 1.24 -0.53 1.22 2.04 -1.62 0.30 117.51 121.28 3ibb h ILE 398 Ca 0.26 -0.48 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 3ibb h ILE 398 Cb 0.21 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.18 3ibb h ILE 398 CO -0.02 0.24 0.19 0.15 0.00 0.00 0.00 178.15 178.72 3ibb h PHE 399 N 1.25 0.83 -0.09 1.37 3.57 -0.44 -2.11 116.94 121.32 3ibb h PHE 399 Ca 0.33 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 3ibb h PHE 399 Cb -0.11 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.38 3ibb h PHE 399 CO 0.00 0.70 0.04 0.00 -2.23 0.00 0.00 178.31 176.82 3ibb h ALA 400 N 1.05 0.12 -0.32 2.41 0.00 0.36 -3.25 119.26 119.63 3ibb h ALA 400 Ca 0.18 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3ibb h ALA 400 Cb 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3ibb h ALA 400 CO -0.01 -0.31 -0.16 1.88 0.00 0.00 0.00 179.25 180.65 3ibb h TYR 401 N 0.00 0.78 -0.73 0.00 0.05 -0.96 -3.12 116.97 112.99 3ibb h TYR 401 Ca 0.03 -0.20 -0.01 0.00 0.05 0.00 0.00 58.73 58.61 3ibb h TYR 401 Cb 0.15 -0.18 -0.04 0.00 1.01 0.00 0.00 36.73 37.68 3ibb h TYR 401 CO -0.02 0.90 0.44 0.00 -1.05 0.00 0.00 178.16 178.42 3ibb h ALA 402 N 0.76 0.94 -0.60 3.88 0.00 -1.47 -3.10 119.26 119.67 3ibb h ALA 402 Ca 0.07 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3ibb h ALA 402 Cb 0.70 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3ibb h ALA 402 CO 0.05 0.41 0.00 1.49 0.00 0.00 0.00 179.25 181.20 3ibb h GLU 403 N 1.00 1.05 -6.88 0.00 4.81 -1.67 -3.46 114.58 109.44 3ibb h GLU 403 Ca 0.26 -0.33 -0.57 0.00 -0.13 0.00 0.00 59.36 58.60 3ibb h GLU 403 Cb -0.02 -0.10 0.16 0.00 0.63 0.00 0.00 28.75 29.42 3ibb h GLU 403 CO -0.05 1.03 0.23 0.00 -0.73 0.00 0.00 179.01 179.49 3ibb n ALA 404 N -2.48 0.47 0.15 2.92 0.00 -1.17 -4.94 120.51 115.45 3ibb n ALA 404 Ca 0.03 0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.52 3ibb n ALA 404 Cb 0.34 -2.16 -0.01 0.00 0.00 0.00 0.00 19.45 17.62 3ibb n ALA 404 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3ibb n THR 405 N -1.59 0.00 -1.76 0.00 -1.04 -1.26 -5.02 114.28 103.60 3ibb n THR 405 Ca 0.13 -0.43 -0.31 0.00 -2.04 0.00 0.00 64.05 61.40 3ibb n THR 405 Cb 0.47 1.01 0.04 0.00 -1.82 0.00 0.00 70.33 70.03 3ibb n THR 405 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3ibb s VAL 406 N -1.17 3.99 0.30 12.58 -7.23 -1.26 -4.69 120.40 122.91 3ibb s VAL 406 Ca 0.02 0.64 -0.29 0.00 -1.81 0.00 0.00 61.98 60.54 3ibb s VAL 406 Cb 0.03 -3.55 -0.11 0.00 0.56 0.00 0.00 36.38 33.31 3ibb s VAL 406 CO 0.12 -0.84 1.49 -2.84 -0.31 0.00 0.00 175.10 172.71 3ibb s PRO 407 N -5.20 4.19 -0.15 4.82 0.02 -1.26 -4.80 135.00 132.63 3ibb s PRO 407 Ca 0.57 2.45 0.02 0.00 0.02 0.00 0.00 61.00 64.06 3ibb s PRO 407 Cb -0.12 -3.04 0.02 0.00 0.02 0.00 0.00 34.50 31.37 3ibb s PRO 407 CO 0.54 -0.49 -0.20 -0.51 -0.33 0.00 0.00 177.00 176.01 3ibb s LEU 408 N -0.97 2.02 -0.10 -5.54 1.02 -1.26 -1.14 118.68 112.72 3ibb s LEU 408 Ca 0.58 -0.59 0.02 0.00 0.02 0.00 0.00 54.13 54.16 3ibb s LEU 408 Cb -0.45 -1.39 0.01 0.00 0.02 0.00 0.00 46.19 44.39 3ibb s LEU 408 CO 0.50 0.03 -0.15 -0.63 0.02 0.00 0.00 176.35 176.13 3ibb s ILE 409 N 1.07 1.43 -0.14 -0.59 1.01 -0.91 -3.32 121.20 119.75 3ibb s ILE 409 Ca -0.02 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.04 3ibb s ILE 409 Cb -0.14 -1.30 0.01 0.00 0.01 0.00 0.00 42.46 41.04 3ibb s ILE 409 CO -0.07 0.42 -0.18 -0.89 0.00 0.00 0.00 174.94 174.23 3ibb s THR 410 N 0.90 1.81 -0.24 2.92 2.01 -1.16 -1.17 115.64 120.72 3ibb s THR 410 Ca -0.09 -0.81 -0.04 0.00 0.31 0.00 0.00 61.69 61.06 3ibb s THR 410 Cb -0.15 -1.63 0.00 0.00 0.01 0.00 0.00 72.50 70.73 3ibb s THR 410 CO 0.00 0.50 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.71 3ibb s VAL 411 N 1.05 3.35 0.23 3.82 1.01 -0.53 0.42 120.40 129.76 3ibb s VAL 411 Ca -0.03 -0.65 -0.31 0.00 0.00 0.00 0.00 61.98 61.00 3ibb s VAL 411 Cb -0.14 -2.60 -0.10 0.00 0.00 0.00 0.00 36.38 33.53 3ibb s VAL 411 CO -0.05 0.31 1.51 -0.63 0.00 0.00 0.00 175.10 176.25 3ibb s ILE 412 N 1.45 2.55 0.00 2.22 1.01 0.97 0.69 121.20 130.08 3ibb s ILE 412 Ca 0.04 0.43 0.00 0.00 0.00 0.00 0.00 60.65 61.12 3ibb s ILE 412 Cb -0.15 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.04 3ibb s ILE 412 CO -0.03 0.06 0.00 0.35 0.00 0.00 0.00 174.94 175.32 3ibb n THR 413 N 2.89 0.00 -4.08 2.92 -2.24 -0.55 -3.17 114.28 110.05 3ibb n THR 413 Ca 0.10 -0.12 -0.10 0.00 -2.27 0.00 0.00 64.05 61.65 3ibb n THR 413 Cb 0.39 0.69 -0.08 0.00 -2.10 0.00 0.00 70.33 69.23 3ibb n THR 413 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3ibb s ARG 414 N -0.53 1.22 0.13 -0.78 1.81 0.17 -4.74 118.95 116.22 3ibb s ARG 414 Ca 0.00 -1.38 -0.21 0.00 -1.72 0.00 0.00 55.73 52.42 3ibb s ARG 414 Cb 0.00 0.34 -0.12 0.00 -0.45 0.00 0.00 34.95 34.72 3ibb s ARG 414 CO 0.00 -0.44 0.41 1.63 -0.68 0.00 0.00 175.30 176.23 3ibb n LYS 415 N -0.25 0.00 -3.49 3.54 4.76 -1.26 -4.26 118.16 117.20 3ibb n LYS 415 Ca -0.03 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.14 3ibb n LYS 415 Cb 0.64 -0.75 -0.10 0.00 -1.84 0.00 0.00 35.03 32.97 3ibb n LYS 415 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ibb n ALA 416 N 0.12 2.98 -2.69 7.82 0.00 0.21 0.90 120.51 129.85 3ibb n ALA 416 Ca 0.13 -3.49 -0.33 0.00 0.00 0.00 0.00 53.44 49.75 3ibb n ALA 416 Cb 0.16 -0.82 -0.13 0.00 0.00 0.00 0.00 19.45 18.67 3ibb n ALA 416 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3ibb s PHE 417 N -0.46 2.84 0.00 0.00 0.08 -1.10 -3.25 117.98 116.09 3ibb s PHE 417 Ca 0.32 -0.22 0.00 0.00 0.12 0.00 0.00 56.93 57.15 3ibb s PHE 417 Cb 0.04 -1.74 0.00 0.00 -0.57 0.00 0.00 43.02 40.75 3ibb s PHE 417 CO -0.18 0.13 0.00 0.41 -0.10 0.00 0.00 175.22 175.48 3ibb n GLY 418 N 2.67 -0.86 0.28 4.36 0.00 -0.32 -3.68 105.19 107.64 3ibb n GLY 418 Ca -0.18 -1.18 0.12 0.00 0.00 0.00 0.00 46.02 44.78 3ibb n GLY 418 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ibb h GLY 419 N 0.00 0.00 1.35 -0.02 0.00 -1.90 -1.61 103.07 100.88 3ibb h GLY 419 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 3ibb h GLY 419 CO 0.00 0.00 0.26 0.00 0.00 0.00 0.00 176.54 176.80 3ibb h ALA 420 N 1.98 1.91 -0.44 3.60 0.00 -1.91 1.20 119.26 125.60 3ibb h ALA 420 Ca -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3ibb h ALA 420 Cb 0.05 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3ibb h ALA 420 CO 0.00 -0.38 0.28 -0.92 0.00 0.00 0.00 179.25 178.23 3ibb h TYR 421 N 0.00 0.53 -0.29 0.00 3.20 -1.51 -2.38 116.97 116.53 3ibb h TYR 421 Ca 0.12 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.95 3ibb h TYR 421 Cb 0.63 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 3ibb h TYR 421 CO 0.00 0.33 -0.01 0.00 -1.64 0.00 0.00 178.16 176.84 3ibb h ALA 422 N 1.17 0.39 -0.64 1.82 0.00 0.13 -3.32 119.26 118.81 3ibb h ALA 422 Ca 0.16 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3ibb h ALA 422 Cb -0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3ibb h ALA 422 CO -0.05 0.15 0.28 0.28 0.00 0.00 0.00 179.25 179.91 3ibb h VAL 423 N 0.30 1.22 -0.37 0.00 2.07 -1.41 -3.20 116.25 114.86 3ibb h VAL 423 Ca 0.08 -0.64 -0.72 0.00 0.82 0.00 0.00 66.70 66.24 3ibb h VAL 423 Cb 0.45 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 3ibb h VAL 423 CO 0.02 0.26 2.95 0.23 0.02 0.00 0.00 177.57 181.05 3ibb n MET 424 N -4.33 3.22 -3.54 1.57 2.81 -0.93 -4.58 117.12 111.34 3ibb n MET 424 Ca 0.06 -2.80 -0.24 0.00 -1.81 0.00 0.00 57.70 52.90 3ibb n MET 424 Cb 0.15 -3.11 0.07 0.00 -0.71 0.00 0.00 33.22 29.61 3ibb n MET 424 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ibb n GLY 425 N 3.62 -0.54 3.80 3.03 0.00 -1.26 -4.95 105.19 108.90 3ibb n GLY 425 Ca 0.53 0.23 -0.30 0.00 0.00 0.00 0.00 46.02 46.48 3ibb n GLY 425 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ibb s SER 426 N -3.21 4.57 0.36 1.61 1.04 -1.21 -4.71 113.70 112.16 3ibb s SER 426 Ca 0.55 1.40 0.04 0.00 0.48 0.00 0.00 55.95 58.42 3ibb s SER 426 Cb -0.25 -2.15 0.69 0.00 0.10 0.00 0.00 66.02 64.41 3ibb s SER 426 CO 0.68 -1.93 2.01 0.50 0.98 0.00 0.00 173.24 175.48 3ibb h LYS 427 N -1.06 0.77 -0.56 4.02 3.64 -1.82 -2.48 116.57 119.09 3ibb h LYS 427 Ca -0.46 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 58.84 3ibb h LYS 427 Cb 1.26 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 3ibb h LYS 427 CO 0.58 0.51 0.23 0.45 -2.27 0.00 0.00 179.45 178.95 3ibb h HIS 428 N 0.79 0.80 -0.11 1.91 3.86 -1.89 4.75 115.15 125.26 3ibb h HIS 428 Ca 0.24 -0.04 0.03 0.00 -1.16 0.00 0.00 60.37 59.44 3ibb h HIS 428 Cb -0.01 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.21 3ibb h HIS 428 CO -0.00 0.61 0.10 -0.07 0.86 0.00 0.00 177.93 179.43 3ibb h LEU 429 N 0.79 0.00 0.00 2.43 -0.00 -1.71 -3.45 115.31 113.37 3ibb h LEU 429 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 3ibb h LEU 429 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 3ibb h LEU 429 CO -0.02 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.03 3ibb n GLY 430 N -1.45 1.35 3.76 0.83 0.00 1.55 -4.54 105.19 106.69 3ibb n GLY 430 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3ibb n GLY 430 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibb s ALA 431 N -2.00 3.70 0.20 4.61 0.00 -0.80 -4.89 121.76 122.58 3ibb s ALA 431 Ca 0.00 1.58 -0.09 0.00 0.00 0.00 0.00 51.96 53.44 3ibb s ALA 431 Cb 0.00 -3.64 0.13 0.00 0.00 0.00 0.00 23.12 19.61 3ibb s ALA 431 CO 0.00 -1.01 1.76 -0.44 0.00 0.00 0.00 175.76 176.07 3ibb h ASP 432 N 4.37 1.00 -4.38 0.00 3.32 -1.90 -3.41 116.42 115.42 3ibb h ASP 432 Ca -0.48 -0.17 -0.42 0.00 0.02 0.00 0.00 57.03 55.98 3ibb h ASP 432 Cb 1.23 -0.26 -0.24 0.00 0.22 0.00 0.00 39.33 40.28 3ibb h ASP 432 CO 0.75 0.90 -0.78 -0.76 -1.72 0.00 0.00 179.24 177.63 3ibb s LEU 433 N -9.73 2.20 -0.04 1.55 1.02 -1.21 -5.03 118.68 107.43 3ibb s LEU 433 Ca -0.13 -0.50 -0.02 0.00 0.02 0.00 0.00 54.13 53.51 3ibb s LEU 433 Cb 0.15 -0.54 0.03 0.00 0.02 0.00 0.00 46.19 45.85 3ibb s LEU 433 CO 0.82 -0.01 0.09 0.20 0.02 0.00 0.00 176.35 177.47 3ibb s ASN 434 N -1.30 -0.03 0.06 2.29 -0.87 -1.26 -2.97 114.94 110.85 3ibb s ASN 434 Ca -0.00 0.17 0.06 0.00 -1.57 0.00 0.00 52.86 51.52 3ibb s ASN 434 Cb -0.08 0.08 -0.03 0.00 -0.02 0.00 0.00 41.25 41.20 3ibb s ASN 434 CO 0.01 -0.12 -0.17 -0.76 -2.57 0.00 0.00 177.10 173.49 3ibb s LEU 435 N 0.96 2.21 0.01 0.60 1.02 0.17 -1.50 118.68 122.14 3ibb s LEU 435 Ca -0.08 -0.54 0.02 0.00 0.02 0.00 0.00 54.13 53.56 3ibb s LEU 435 Cb -0.10 -0.74 -0.01 0.00 0.02 0.00 0.00 46.19 45.36 3ibb s LEU 435 CO -0.04 0.05 -0.08 0.00 0.02 0.00 0.00 176.35 176.31 3ibb s ALA 436 N -0.96 0.62 0.74 4.21 0.00 -0.53 -0.02 121.76 125.82 3ibb s ALA 436 Ca 0.03 -0.43 -0.11 0.00 0.00 0.00 0.00 51.96 51.45 3ibb s ALA 436 Cb -0.09 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 22.95 3ibb s ALA 436 CO 0.02 0.12 1.10 -1.58 0.00 0.00 0.00 175.76 175.42 3ibb s TRP 437 N -0.45 3.15 0.25 0.00 0.52 -1.19 -2.18 118.94 119.03 3ibb s TRP 437 Ca 0.00 1.08 -0.05 0.00 0.02 0.00 0.00 56.10 57.15 3ibb s TRP 437 Cb -0.04 -3.09 0.31 0.00 -1.15 0.00 0.00 33.47 29.50 3ibb s TRP 437 CO 0.00 -1.39 1.88 -1.35 0.02 0.00 0.00 176.95 176.11 3ibb h PRO 438 N -0.81 1.09 -0.32 4.98 0.11 -1.95 -2.31 132.00 132.79 3ibb h PRO 438 Ca -0.46 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 3ibb h PRO 438 Cb 1.26 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 3ibb h PRO 438 CO 0.62 0.72 0.06 1.79 -0.21 0.00 0.00 178.00 180.98 3ibb h THR 439 N 1.12 1.16 -2.63 -1.15 1.35 -1.92 -3.40 112.91 107.44 3ibb h THR 439 Ca 0.38 -0.59 -0.52 0.00 -0.55 0.00 0.00 66.41 65.12 3ibb h THR 439 Cb 0.06 0.86 0.05 0.00 -1.73 0.00 0.00 68.15 67.39 3ibb h THR 439 CO -0.14 0.21 1.04 0.00 -0.25 0.00 0.00 175.52 176.38 3ibb s ALA 440 N -5.08 3.83 -0.26 6.62 0.00 -0.87 -4.84 121.76 121.15 3ibb s ALA 440 Ca -0.07 1.47 -0.09 0.00 0.00 0.00 0.00 51.96 53.27 3ibb s ALA 440 Cb 0.16 -3.72 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 3ibb s ALA 440 CO 0.75 -1.05 0.12 -0.65 0.00 0.00 0.00 175.76 174.93 3ibb s GLN 441 N 1.97 3.76 -0.16 0.00 -0.21 -1.26 -1.43 119.66 122.33 3ibb s GLN 441 Ca 0.77 -0.42 -0.02 0.00 0.02 0.00 0.00 55.36 55.70 3ibb s GLN 441 Cb -0.47 -3.47 -0.02 0.00 1.00 0.00 0.00 33.01 30.05 3ibb s GLN 441 CO 0.34 -0.20 -0.08 0.42 -2.12 0.00 0.00 175.29 173.65 3ibb s ILE 442 N 1.68 3.40 0.13 1.08 1.01 -1.23 0.63 121.20 127.90 3ibb s ILE 442 Ca 0.07 -0.52 -0.20 0.00 0.00 0.00 0.00 60.65 60.00 3ibb s ILE 442 Cb -0.16 -2.48 0.05 0.00 0.01 0.00 0.00 42.46 39.88 3ibb s ILE 442 CO 0.07 0.49 0.50 0.00 0.00 0.00 0.00 174.94 175.99 3ibb s ALA 443 N 0.66 -1.25 0.30 9.38 0.00 -1.20 -4.10 121.76 125.55 3ibb s ALA 443 Ca -0.04 0.26 -0.01 0.00 0.00 0.00 0.00 51.96 52.16 3ibb s ALA 443 Cb -0.15 0.72 0.46 0.00 0.00 0.00 0.00 23.12 24.15 3ibb s ALA 443 CO 0.02 -0.67 1.93 -0.39 0.00 0.00 0.00 175.76 176.65 3ibb h VAL 444 N 2.28 1.21 -3.32 0.00 -1.51 -1.91 -0.85 116.25 112.15 3ibb h VAL 444 Ca -0.34 -0.52 -0.04 0.00 -1.23 0.00 0.00 66.70 64.58 3ibb h VAL 444 Cb 1.27 0.27 -0.05 0.00 -2.13 0.00 0.00 31.29 30.65 3ibb h VAL 444 CO 0.43 0.23 0.09 0.00 -1.23 0.00 0.00 177.57 177.09 3ibb s MET 445 N -5.65 1.87 0.32 5.19 0.23 -1.26 -1.35 119.30 118.65 3ibb s MET 445 Ca -0.11 -1.29 -0.29 0.00 -1.03 0.00 0.00 55.69 52.97 3ibb s MET 445 Cb 0.17 0.56 -0.12 0.00 -1.53 0.00 0.00 34.83 33.91 3ibb s MET 445 CO 0.79 -0.84 1.50 0.41 -2.03 0.00 0.00 175.02 174.85 3ibb n GLY 446 N -0.47 1.12 0.31 3.16 0.00 -1.26 -4.77 105.19 103.28 3ibb n GLY 446 Ca -0.04 0.40 0.05 0.00 0.00 0.00 0.00 46.02 46.43 3ibb n GLY 446 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibb h ALA 447 N 3.83 1.75 0.11 4.61 0.00 -1.95 1.82 119.26 129.44 3ibb h ALA 447 Ca -0.48 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 3ibb h ALA 447 Cb 1.24 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3ibb h ALA 447 CO 0.72 0.22 -0.05 0.37 0.00 0.00 0.00 179.25 180.51 3ibb h GLN 448 N 0.49 -0.15 -0.23 0.00 -0.00 -1.90 -0.97 115.11 112.36 3ibb h GLN 448 Ca 0.14 0.01 -0.08 0.00 -0.00 0.00 0.00 58.65 58.72 3ibb h GLN 448 Cb -0.03 0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.47 3ibb h GLN 448 CO -0.03 0.03 -0.22 0.78 0.00 0.00 0.00 178.83 179.39 3ibb h GLY 449 N -0.30 0.45 0.97 2.39 0.00 -1.73 -3.37 103.07 101.48 3ibb h GLY 449 Ca -0.02 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 3ibb h GLY 449 CO 0.03 0.31 0.12 0.00 0.00 0.00 0.00 176.54 177.00 3ibb h ALA 450 N 1.40 0.26 -0.33 3.60 0.00 0.34 -2.49 119.26 122.03 3ibb h ALA 450 Ca 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3ibb h ALA 450 Cb 0.59 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3ibb h ALA 450 CO 0.04 -0.24 0.12 -0.39 0.00 0.00 0.00 179.25 178.78 3ibb h VAL 451 N 0.25 1.20 -0.85 0.00 -1.51 -1.35 -3.12 116.25 110.86 3ibb h VAL 451 Ca 0.07 -0.62 -0.03 0.00 -1.23 0.00 0.00 66.70 64.90 3ibb h VAL 451 Cb 0.02 0.98 -0.04 0.00 -2.13 0.00 0.00 31.29 30.12 3ibb h VAL 451 CO -0.01 0.21 0.41 0.78 -1.23 0.00 0.00 177.57 177.73 3ibb h ASN 452 N 0.38 1.10 -0.24 4.19 -0.26 -1.62 -1.41 115.58 117.73 3ibb h ASN 452 Ca 0.11 -0.13 -0.02 0.00 -0.56 0.00 0.00 56.30 55.69 3ibb h ASN 452 Cb 0.22 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.18 3ibb h ASN 452 CO -0.01 0.93 0.07 0.40 -1.06 0.00 0.00 177.43 177.76 3ibb h ILE 453 N 1.20 1.20 -0.20 2.81 2.04 -1.58 -2.85 117.51 120.14 3ibb h ILE 453 Ca 0.29 -0.66 -0.08 0.00 1.00 0.00 0.00 64.86 65.41 3ibb h ILE 453 Cb 0.11 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 3ibb h ILE 453 CO -0.04 0.21 -0.20 -0.07 0.00 0.00 0.00 178.15 178.05 3ibb h LEU 454 N 0.22 0.52 -3.51 1.44 3.38 -1.23 -3.36 115.31 112.77 3ibb h LEU 454 Ca 0.08 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3ibb h LEU 454 Cb 0.26 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3ibb h LEU 454 CO -0.00 0.89 0.00 1.41 0.09 0.00 0.00 178.44 180.83 3ibb n HIS 455 N -4.45 2.05 -0.28 1.13 8.25 -0.69 -4.77 115.22 116.46 3ibb n HIS 455 Ca -0.05 -0.71 -0.01 0.00 -0.26 0.00 0.00 57.72 56.68 3ibb n HIS 455 Cb 0.41 -0.51 0.11 0.00 1.12 0.00 0.00 29.99 31.11 3ibb n HIS 455 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 3ibb h ARG 456 N 3.92 0.90 -0.53 -0.41 0.11 -1.66 4.70 114.38 121.41 3ibb h ARG 456 Ca 0.00 -0.05 -0.05 0.00 0.10 0.00 0.00 59.98 59.97 3ibb h ARG 456 Cb 1.96 -0.20 -0.02 0.00 1.11 0.00 0.00 29.97 32.81 3ibb h ARG 456 CO 0.49 0.59 0.11 0.07 0.10 0.00 0.00 179.97 181.33 3ibb h ARG 457 N 0.92 0.82 0.00 0.08 0.11 -1.86 -2.98 114.38 111.47 3ibb h ARG 457 Ca 0.33 -0.17 0.00 0.00 0.10 0.00 0.00 59.98 60.24 3ibb h ARG 457 Cb 0.08 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.04 3ibb h ARG 457 CO -0.14 0.74 0.00 1.15 0.10 0.00 0.00 179.97 181.83 3ibb h THR 458 N 0.78 0.00 0.00 0.08 2.02 0.90 -2.33 112.91 114.36 3ibb h THR 458 Ca 0.17 -0.03 -0.27 0.00 0.77 0.00 0.00 66.41 67.05 3ibb h THR 458 Cb 0.31 0.86 -0.05 0.00 -1.74 0.00 0.00 68.15 67.52 3ibb h THR 458 CO 0.00 0.00 -2.22 -0.38 0.37 0.00 0.00 175.52 173.29 3ibb n ILE 459 N -2.79 1.06 -0.13 3.11 2.08 -1.08 -4.34 119.36 117.26 3ibb n ILE 459 Ca -0.02 -0.76 -0.06 0.00 0.56 0.00 0.00 62.75 62.47 3ibb n ILE 459 Cb 0.07 -0.39 0.13 0.00 -0.75 0.00 0.00 39.64 38.70 3ibb n ILE 459 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3ibb h ALA 460 N 1.26 1.03 -0.28 -1.39 0.00 -1.47 -3.42 119.26 114.99 3ibb h ALA 460 Ca -0.39 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3ibb h ALA 460 Cb 1.91 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 3ibb h ALA 460 CO 0.03 0.60 0.18 -0.44 0.00 0.00 0.00 179.25 179.61 3ibb h ASP 461 N 0.79 0.33 -3.76 0.00 5.19 -1.76 -3.42 116.42 113.80 3ibb h ASP 461 Ca 0.15 -0.03 -0.49 0.00 -0.62 0.00 0.00 57.03 56.05 3ibb h ASP 461 Cb 0.49 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.89 3ibb h ASP 461 CO 0.02 0.26 0.25 0.00 -3.12 0.00 0.00 179.24 176.65 3ibb s ALA 462 N -6.10 3.29 0.16 3.45 0.00 -1.26 -5.00 121.76 116.30 3ibb s ALA 462 Ca -0.13 0.38 -0.07 0.00 0.00 0.00 0.00 51.96 52.13 3ibb s ALA 462 Cb 0.09 -3.04 0.03 0.00 0.00 0.00 0.00 23.12 20.20 3ibb s ALA 462 CO 0.71 0.24 1.48 0.78 0.00 0.00 0.00 175.76 178.96 3ibb h GLY 463 N 3.25 0.83 -3.24 0.00 0.00 -1.95 -3.41 103.07 98.55 3ibb h GLY 463 Ca -0.47 -0.91 -0.51 0.00 0.00 0.00 0.00 47.33 45.44 3ibb h GLY 463 CO 0.65 0.82 -0.78 0.51 0.00 0.00 0.00 176.54 177.75 3ibb s ASP 464 N -6.90 2.62 0.00 0.19 3.84 -1.26 -4.38 116.67 110.79 3ibb s ASP 464 Ca -0.09 -0.87 0.00 0.00 -0.00 0.00 0.00 52.55 51.58 3ibb s ASP 464 Cb 0.11 -0.15 0.00 0.00 -1.38 0.00 0.00 42.92 41.50 3ibb s ASP 464 CO 0.87 -0.05 0.00 0.47 -0.00 0.00 0.00 175.17 176.45 3ibb n ASP 465 N 0.25 0.00 0.01 2.11 9.92 -1.26 -4.93 116.55 122.65 3ibb n ASP 465 Ca -0.13 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.00 3ibb n ASP 465 Cb 0.57 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.96 3ibb n ASP 465 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ibb h ALA 466 N 0.00 -0.07 -0.33 2.24 0.00 -1.79 -3.31 119.26 116.00 3ibb h ALA 466 Ca 0.00 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 3ibb h ALA 466 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3ibb h ALA 466 CO 0.00 -0.28 -0.11 1.49 0.00 0.00 0.00 179.25 180.35 3ibb h GLU 467 N -0.59 0.66 -0.89 0.00 4.57 -1.91 -3.04 114.58 113.37 3ibb h GLU 467 Ca -0.01 -0.27 -0.02 0.00 -1.18 0.00 0.00 59.36 57.89 3ibb h GLU 467 Cb 0.52 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.04 3ibb h GLU 467 CO 0.01 0.85 0.50 0.00 -1.18 0.00 0.00 179.01 179.19 3ibb h ALA 468 N 0.79 1.15 -0.87 2.92 0.00 -1.99 -3.01 119.26 118.24 3ibb h ALA 468 Ca 0.08 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.92 3ibb h ALA 468 Cb 0.63 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 3ibb h ALA 468 CO 0.04 0.65 0.55 1.15 0.00 0.00 0.00 179.25 181.63 3ibb h THR 469 N 1.25 1.05 -0.59 0.00 2.02 -1.63 0.20 112.91 115.21 3ibb h THR 469 Ca 0.32 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 3ibb h THR 469 Cb 0.02 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.37 3ibb h THR 469 CO -0.05 0.18 0.32 -0.09 0.37 0.00 0.00 175.52 176.25 3ibb h ARG 470 N 1.00 0.81 -0.80 6.66 2.43 -1.42 -1.50 114.38 121.55 3ibb h ARG 470 Ca 0.38 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.43 3ibb h ARG 470 Cb 0.16 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 3ibb h ARG 470 CO -0.17 0.59 0.34 0.00 -1.51 0.00 0.00 179.97 179.23 3ibb h ALA 471 N 1.54 1.04 -0.41 2.80 0.00 -0.63 -1.60 119.26 122.00 3ibb h ALA 471 Ca 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3ibb h ALA 471 Cb 0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3ibb h ALA 471 CO -0.03 0.64 0.22 -0.09 0.00 0.00 0.00 179.25 179.99 3ibb h ARG 472 N 1.15 0.57 -0.42 0.00 2.43 -0.74 -2.64 114.38 114.73 3ibb h ARG 472 Ca 0.27 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.33 3ibb h ARG 472 Cb 0.18 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3ibb h ARG 472 CO -0.03 0.46 0.10 -0.07 -1.51 0.00 0.00 179.97 178.93 3ibb h LEU 473 N 0.53 0.64 -1.45 3.80 3.38 -0.80 -0.54 115.31 120.87 3ibb h LEU 473 Ca 0.14 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3ibb h LEU 473 Cb 0.06 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3ibb h LEU 473 CO -0.02 0.71 0.03 0.40 0.09 0.00 0.00 178.44 179.64 3ibb h ILE 474 N 0.54 1.15 -0.71 1.22 2.04 -1.28 0.66 117.51 121.13 3ibb h ILE 474 Ca 0.13 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 3ibb h ILE 474 Cb 0.32 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 3ibb h ILE 474 CO 0.00 0.19 0.34 -0.61 0.00 0.00 0.00 178.15 178.07 3ibb h GLN 475 N 0.38 1.03 -0.26 2.37 -0.00 -1.03 -2.21 115.11 115.40 3ibb h GLN 475 Ca 0.09 -0.15 -0.02 0.00 -0.00 0.00 0.00 58.65 58.57 3ibb h GLN 475 Cb 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 27.48 27.50 3ibb h GLN 475 CO 0.00 0.81 0.10 0.93 0.00 0.00 0.00 178.83 180.67 3ibb h GLU 476 N 1.00 0.39 -0.47 1.69 5.08 0.70 -1.46 114.58 121.51 3ibb h GLU 476 Ca 0.24 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.43 3ibb h GLU 476 Cb 0.13 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3ibb h GLU 476 CO -0.03 0.44 -0.11 -0.92 -1.00 0.00 0.00 179.01 177.39 3ibb h TYR 477 N 0.26 0.95 -0.89 4.33 5.03 -1.38 -2.94 116.97 122.33 3ibb h TYR 477 Ca 0.09 -0.18 -0.01 0.00 2.58 0.00 0.00 58.73 61.20 3ibb h TYR 477 Cb 0.20 -0.24 -0.04 0.00 1.55 0.00 0.00 36.73 38.20 3ibb h TYR 477 CO -0.00 0.92 0.51 1.05 -1.32 0.00 0.00 178.16 179.32 3ibb h GLU 478 N 0.77 1.21 -0.66 1.82 4.11 -1.38 0.15 114.58 120.61 3ibb h GLU 478 Ca 0.13 -0.12 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 3ibb h GLU 478 Cb 0.62 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 3ibb h GLU 478 CO 0.04 0.86 0.28 -0.44 0.07 0.00 0.00 179.01 179.83 3ibb h ASP 479 N 1.23 0.90 0.00 3.06 3.32 -1.16 -3.06 116.42 120.70 3ibb h ASP 479 Ca 0.32 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 3ibb h ASP 479 Cb -0.02 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 3ibb h ASP 479 CO -0.06 0.81 -1.64 0.00 -1.72 0.00 0.00 179.24 176.64 3ibb n ALA 480 N -2.38 2.36 -0.00 3.45 0.00 -1.12 -4.73 120.51 118.09 3ibb n ALA 480 Ca 0.05 -0.39 0.02 0.00 0.00 0.00 0.00 53.44 53.11 3ibb n ALA 480 Cb 0.16 -0.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.20 3ibb n ALA 480 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ibb n LEU 481 N -2.04 0.00 -3.93 0.00 4.77 0.53 -4.81 117.00 111.53 3ibb n LEU 481 Ca -0.05 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.50 3ibb n LEU 481 Cb 0.43 0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.54 3ibb n LEU 481 CO 0.27 0.01 1.77 0.18 -1.33 0.00 0.00 177.39 178.29 3ibb n LEU 482 N -1.72 6.53 -3.63 2.23 4.32 -1.16 -4.55 117.00 119.03 3ibb n LEU 482 Ca -0.02 -4.74 -0.10 0.00 -0.02 0.00 0.00 56.01 51.13 3ibb n LEU 482 Cb 0.19 -1.45 -0.04 0.00 -1.62 0.00 0.00 43.42 40.50 3ibb n LEU 482 CO 0.09 1.40 0.22 0.54 -1.22 0.00 0.00 177.39 178.43 3ibb s ASN 483 N 0.50 -0.29 0.26 -1.43 6.03 -1.26 -4.56 114.94 114.20 3ibb s ASN 483 Ca 0.38 -0.31 -0.02 0.00 -1.03 0.00 0.00 52.86 51.88 3ibb s ASN 483 Cb 0.08 0.52 0.34 0.00 -3.03 0.00 0.00 41.25 39.16 3ibb s ASN 483 CO 0.02 -0.92 1.80 1.55 -2.03 0.00 0.00 177.10 177.52 3ibb h PRO 484 N 2.27 0.87 -0.76 3.55 0.13 -1.46 -3.25 132.00 133.35 3ibb h PRO 484 Ca -0.33 -0.19 -0.01 0.00 -0.87 0.00 0.00 66.00 64.60 3ibb h PRO 484 Cb 1.27 -0.12 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 3ibb h PRO 484 CO 0.43 0.80 0.42 1.88 -0.23 0.00 0.00 178.00 181.30 3ibb h TYR 485 N 0.83 1.03 -1.01 1.56 0.05 -1.93 -2.29 116.97 115.22 3ibb h TYR 485 Ca 0.18 -0.02 0.23 0.00 0.05 0.00 0.00 58.73 59.16 3ibb h TYR 485 Cb 0.34 -0.33 -0.10 0.00 1.01 0.00 0.00 36.73 37.64 3ibb h TYR 485 CO 0.02 0.72 0.62 1.15 -1.05 0.00 0.00 178.16 179.63 3ibb h THR 486 N 1.04 0.61 -0.64 -2.88 2.02 -1.92 0.77 112.91 111.91 3ibb h THR 486 Ca 0.27 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 67.19 3ibb h THR 486 Cb 0.03 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.39 3ibb h THR 486 CO -0.04 0.11 0.16 0.00 0.37 0.00 0.00 175.52 176.11 3ibb h ALA 487 N 1.66 0.85 -0.58 6.16 0.00 -1.64 -3.19 119.26 122.52 3ibb h ALA 487 Ca 0.59 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 3ibb h ALA 487 Cb 1.19 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3ibb h ALA 487 CO -0.36 0.57 0.34 0.00 0.00 0.00 0.00 179.25 179.79 3ibb h ALA 488 N 1.06 1.51 -0.69 0.00 0.00 0.77 -1.99 119.26 119.92 3ibb h ALA 488 Ca 0.20 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3ibb h ALA 488 Cb 0.36 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3ibb h ALA 488 CO 0.00 0.42 0.32 0.93 0.00 0.00 0.00 179.25 180.92 3ibb h GLU 489 N 0.80 0.99 -0.05 0.00 5.08 -1.24 0.32 114.58 120.47 3ibb h GLU 489 Ca 0.21 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3ibb h GLU 489 Cb -0.02 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 3ibb h GLU 489 CO -0.04 0.79 -0.21 0.00 -1.00 0.00 0.00 179.01 178.55 3ibb h ARG 490 N 0.96 0.08 0.00 2.33 3.08 -1.61 -3.47 114.38 115.75 3ibb h ARG 490 Ca 0.23 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3ibb h ARG 490 Cb 0.13 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3ibb h ARG 490 CO -0.03 0.29 0.00 0.41 -1.07 0.00 0.00 179.97 179.58 3ibb n GLY 491 N -0.84 0.81 0.34 0.04 0.00 0.11 -4.94 105.19 100.72 3ibb n GLY 491 Ca -0.02 -0.15 0.09 0.00 0.00 0.00 0.00 46.02 45.94 3ibb n GLY 491 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ibb h TYR 492 N 0.00 0.55 -3.73 1.61 0.99 -1.59 -3.36 116.97 111.45 3ibb h TYR 492 Ca 0.00 0.01 -0.58 0.00 2.00 0.00 0.00 58.73 60.16 3ibb h TYR 492 Cb 0.00 -0.18 -0.32 0.00 1.00 0.00 0.00 36.73 37.23 3ibb h TYR 492 CO 0.00 0.29 -0.84 0.08 -0.00 0.00 0.00 178.16 177.69 3ibb s VAL 493 N -5.50 1.51 0.14 -2.88 1.01 -1.24 -4.62 120.40 108.82 3ibb s VAL 493 Ca -0.08 -0.74 -0.14 0.00 0.00 0.00 0.00 61.98 61.02 3ibb s VAL 493 Cb 0.19 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 35.27 3ibb s VAL 493 CO 0.75 0.43 1.65 0.44 0.00 0.00 0.00 175.10 178.38 3ibb h ASP 494 N 6.45 0.69 -3.94 3.32 3.32 -1.42 -3.41 116.42 121.44 3ibb h ASP 494 Ca -0.30 -0.23 -0.32 0.00 0.02 0.00 0.00 57.03 56.20 3ibb h ASP 494 Cb 1.19 -0.18 -0.28 0.00 0.22 0.00 0.00 39.33 40.27 3ibb h ASP 494 CO 0.48 0.74 -0.75 0.00 -1.72 0.00 0.00 179.24 177.98 3ibb s ALA 495 N -5.32 0.45 -0.27 3.45 0.00 -0.92 -5.03 121.76 114.11 3ibb s ALA 495 Ca -0.13 -0.25 -0.07 0.00 0.00 0.00 0.00 51.96 51.51 3ibb s ALA 495 Cb 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 3ibb s ALA 495 CO 0.78 0.10 0.07 0.08 0.00 0.00 0.00 175.76 176.80 3ibb s VAL 496 N -0.16 4.10 0.06 0.00 1.01 -1.26 -1.45 120.40 122.70 3ibb s VAL 496 Ca 0.02 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.61 3ibb s VAL 496 Cb -0.02 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 3ibb s VAL 496 CO -0.00 0.21 -0.15 0.27 0.00 0.00 0.00 175.10 175.43 3ibb s ILE 497 N 1.55 1.23 0.73 2.22 -5.25 -0.93 -4.97 121.20 115.79 3ibb s ILE 497 Ca 0.05 -1.20 -0.13 0.00 -0.99 0.00 0.00 60.65 58.37 3ibb s ILE 497 Cb -0.16 -1.14 0.04 0.00 2.95 0.00 0.00 42.46 44.15 3ibb s ILE 497 CO 0.03 -0.07 1.14 -0.04 -1.79 0.00 0.00 174.94 174.20 3ibb s MET 498 N -1.46 2.29 0.25 0.37 -1.94 -1.26 -4.38 119.30 113.17 3ibb s MET 498 Ca 0.01 1.46 -0.05 0.00 -1.71 0.00 0.00 55.69 55.40 3ibb s MET 498 Cb -0.09 -1.88 0.29 0.00 2.01 0.00 0.00 34.83 35.16 3ibb s MET 498 CO 0.02 -1.66 1.88 -1.35 -0.01 0.00 0.00 175.02 173.91 3ibb h PRO 499 N -0.54 1.19 -0.52 2.03 0.11 -1.92 0.17 132.00 132.52 3ibb h PRO 499 Ca -0.46 -0.13 -0.04 0.00 0.11 0.00 0.00 66.00 65.48 3ibb h PRO 499 Cb 1.26 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 3ibb h PRO 499 CO 0.51 0.86 0.16 0.66 -0.21 0.00 0.00 178.00 179.97 3ibb h SER 500 N 1.20 0.71 0.02 -2.05 4.64 -1.86 -2.66 113.55 113.55 3ibb h SER 500 Ca 0.30 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3ibb h SER 500 Cb 0.01 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 61.91 3ibb h SER 500 CO -0.05 0.68 -0.01 -0.78 -0.87 0.00 0.00 176.83 175.80 3ibb h ASP 501 N 0.76 0.00 -0.70 4.97 -0.00 -0.97 -3.21 116.42 117.26 3ibb h ASP 501 Ca 0.17 0.00 0.06 0.00 -0.00 0.00 0.00 57.03 57.27 3ibb h ASP 501 Cb 0.23 0.00 -0.04 0.00 -0.00 0.00 0.00 39.33 39.52 3ibb h ASP 501 CO -0.01 0.01 0.46 0.74 -0.00 0.00 0.00 179.24 180.45 3ibb h THR 502 N 0.00 1.01 -0.56 2.25 2.02 -1.35 5.00 112.91 121.28 3ibb h THR 502 Ca -0.00 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 66.89 3ibb h THR 502 Cb 0.03 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 66.64 3ibb h THR 502 CO 0.00 0.13 0.19 -0.09 0.37 0.00 0.00 175.52 176.13 3ibb h ARG 503 N 0.72 0.83 -0.34 6.66 2.43 -1.78 -1.36 114.38 121.53 3ibb h ARG 503 Ca 0.30 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3ibb h ARG 503 Cb 0.27 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3ibb h ARG 503 CO -0.10 0.70 0.21 0.00 -1.51 0.00 0.00 179.97 179.28 3ibb h ARG 504 N 0.81 0.46 -0.52 0.20 3.08 0.98 -2.47 114.38 116.93 3ibb h ARG 504 Ca 0.19 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 60.09 3ibb h ARG 504 Cb 0.21 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3ibb h ARG 504 CO -0.01 0.33 -0.11 0.45 -1.07 0.00 0.00 179.97 179.56 3ibb h HIS 505 N 0.45 1.08 -0.67 3.04 3.86 -1.16 -2.84 115.15 118.91 3ibb h HIS 505 Ca 0.12 -0.22 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 3ibb h HIS 505 Cb -0.01 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.15 3ibb h HIS 505 CO -0.04 1.01 0.43 0.82 0.86 0.00 0.00 177.93 181.01 3ibb h ILE 506 N 0.86 1.18 0.03 2.45 2.04 -1.12 -1.94 117.51 121.02 3ibb h ILE 506 Ca 0.14 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 3ibb h ILE 506 Cb 0.66 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3ibb h ILE 506 CO 0.05 0.19 -0.01 0.58 0.00 0.00 0.00 178.15 178.95 3ibb h VAL 507 N 0.91 1.25 -0.70 1.67 2.07 -1.40 -0.94 116.25 119.12 3ibb h VAL 507 Ca 0.24 -0.87 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 3ibb h VAL 507 Cb -0.06 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3ibb h VAL 507 CO -0.05 0.22 0.19 0.03 0.02 0.00 0.00 177.57 177.98 3ibb h ARG 508 N -0.42 1.10 -0.82 1.57 3.08 -1.60 -3.02 114.38 114.27 3ibb h ARG 508 Ca -0.00 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 3ibb h ARG 508 Cb 0.39 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 3ibb h ARG 508 CO 0.01 0.96 0.40 0.78 -1.07 0.00 0.00 179.97 181.05 3ibb h GLY 509 N 1.08 1.26 1.04 0.04 0.00 -1.37 -1.82 103.07 103.31 3ibb h GLY 509 Ca 0.22 -0.62 -0.06 0.00 0.00 0.00 0.00 47.33 46.87 3ibb h GLY 509 CO -0.00 0.59 0.19 1.41 0.00 0.00 0.00 176.54 178.73 3ibb h LEU 510 N 1.16 0.99 -0.38 3.11 3.38 -1.19 -2.57 115.31 119.82 3ibb h LEU 510 Ca 0.28 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3ibb h LEU 510 Cb 0.11 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3ibb h LEU 510 CO -0.04 0.95 0.22 0.03 0.09 0.00 0.00 178.44 179.69 3ibb h ARG 511 N 0.98 0.52 -0.37 1.13 2.47 -1.31 -2.52 114.38 115.29 3ibb h ARG 511 Ca 0.21 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.84 3ibb h ARG 511 Cb 0.32 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.52 3ibb h ARG 511 CO -0.00 0.40 0.08 1.96 0.56 0.00 0.00 179.97 182.97 3ibb h GLN 512 N 0.49 0.59 0.00 0.04 1.08 -1.31 -3.08 115.11 112.92 3ibb h GLN 512 Ca 0.13 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3ibb h GLN 512 Cb 0.02 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 3ibb h GLN 512 CO -0.02 0.63 0.00 1.28 -0.95 0.00 0.00 178.83 179.77 3ibb n LEU 513 N -4.59 0.00 -0.08 1.46 4.32 -0.97 -3.73 117.00 113.40 3ibb n LEU 513 Ca -0.01 0.49 0.12 0.00 -0.02 0.00 0.00 56.01 56.59 3ibb n LEU 513 Cb 0.20 -0.49 0.50 0.00 -1.62 0.00 0.00 43.42 42.01 3ibb n LEU 513 CO 0.38 -0.20 1.19 0.03 -1.22 0.00 0.00 177.39 177.57 3ibb h ARG 514 N 0.00 0.40 -0.36 3.23 3.08 -1.36 0.37 114.38 119.74 3ibb h ARG 514 Ca 0.00 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 3ibb h ARG 514 Cb 0.30 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 3ibb h ARG 514 CO 0.00 0.26 -0.18 1.79 -1.07 0.00 0.00 179.97 180.78 3ibb h THR 515 N 0.41 1.26 -3.02 2.04 1.35 -1.82 -3.49 112.91 109.65 3ibb h THR 515 Ca 0.28 -1.22 -0.56 0.00 -0.55 0.00 0.00 66.41 64.35 3ibb h THR 515 Cb 0.54 1.18 0.09 0.00 -1.73 0.00 0.00 68.15 68.22 3ibb h THR 515 CO -0.08 0.41 0.71 0.29 -0.25 0.00 0.00 175.52 176.60 3ibb n LYS 516 N -4.14 2.32 -4.02 4.72 5.02 0.13 -5.05 118.16 117.14 3ibb n LYS 516 Ca 0.01 0.82 -0.08 0.00 -2.02 0.00 0.00 58.31 57.04 3ibb n LYS 516 Cb 0.39 -2.52 -0.11 0.00 -0.02 0.00 0.00 35.03 32.77 3ibb n LYS 516 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3ibb s ARG 517 N -0.68 0.43 0.09 1.97 1.04 -1.26 -4.87 118.95 115.67 3ibb s ARG 517 Ca 0.65 -0.84 -0.15 0.00 -1.04 0.00 0.00 55.73 54.35 3ibb s ARG 517 Cb -0.58 0.15 0.03 0.00 -2.04 0.00 0.00 34.95 32.51 3ibb s ARG 517 CO 0.51 -0.08 0.36 -1.21 -0.04 0.00 0.00 175.30 174.84 3ibb s GLU 518 N -2.40 0.97 -0.03 3.89 2.02 -1.26 -5.18 118.70 116.71 3ibb s GLU 518 Ca -0.07 -0.65 0.07 0.00 0.02 0.00 0.00 54.97 54.34 3ibb s GLU 518 Cb -0.03 0.42 -0.02 0.00 0.10 0.00 0.00 34.13 34.60 3ibb s GLU 518 CO -0.04 -0.35 -0.24 -1.12 0.02 0.00 0.00 175.26 173.53 3ibb s SER 519 N -2.54 3.22 0.07 -0.19 0.01 -1.26 -5.09 113.70 107.93 3ibb s SER 519 Ca 0.00 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.84 3ibb s SER 519 Cb 0.01 -0.54 -0.04 0.00 0.21 0.00 0.00 66.02 65.67 3ibb s SER 519 CO -0.09 0.31 -0.05 -1.48 0.41 0.00 0.00 173.24 172.34 3ibb s LEU 520 N -0.53 2.49 0.55 2.44 2.34 -1.26 -5.15 118.68 119.57 3ibb s LEU 520 Ca 0.07 -0.99 -0.21 0.00 0.06 0.00 0.00 54.13 53.07 3ibb s LEU 520 Cb -0.11 0.05 -0.05 0.00 -0.56 0.00 0.00 46.19 45.53 3ibb s LEU 520 CO 0.00 -0.52 1.26 -2.84 -1.06 0.00 0.00 176.35 173.19 3ibb s PRO 521 N -3.80 3.17 0.23 1.48 0.02 -1.26 -4.84 135.00 130.00 3ibb s PRO 521 Ca 0.09 1.99 -0.31 0.00 0.02 0.00 0.00 61.00 62.78 3ibb s PRO 521 Cb 0.06 -2.15 -0.11 0.00 0.02 0.00 0.00 34.50 32.32 3ibb s PRO 521 CO -0.07 -1.09 1.62 -1.25 -0.33 0.00 0.00 177.00 175.88 3ibb s PRO 522 N -3.04 4.15 0.02 5.54 0.04 -1.26 -5.00 135.00 135.45 3ibb s PRO 522 Ca 0.73 2.52 -0.02 0.00 0.04 0.00 0.00 61.00 64.27 3ibb s PRO 522 Cb -0.34 -3.08 -0.01 0.00 0.04 0.00 0.00 34.50 31.11 3ibb s PRO 522 CO 0.39 -0.65 0.02 -1.59 0.04 0.00 0.00 177.00 175.21 3ibb s LYS 523 N 0.48 0.37 0.03 4.56 -2.85 -1.26 -5.06 119.74 116.00 3ibb s LYS 523 Ca 0.69 -0.56 -0.25 0.00 -1.00 0.00 0.00 55.97 54.85 3ibb s LYS 523 Cb -0.47 0.14 -0.18 0.00 -2.06 0.00 0.00 37.83 35.26 3ibb s LYS 523 CO 0.38 -0.07 1.48 0.87 0.10 0.00 0.00 175.35 178.11 3ibb h LYS 524 N 4.49 -0.00 -2.97 1.78 1.57 -2.05 -3.48 116.57 115.92 3ibb h LYS 524 Ca -0.32 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.44 3ibb h LYS 524 Cb 1.20 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.39 3ibb h LYS 524 CO 0.41 0.26 0.17 -3.38 -0.57 0.00 0.00 179.45 176.35 3ibb s HIS 525 N -5.14 -0.51 0.72 -1.35 -3.43 -1.26 -5.18 115.29 99.14 3ibb s HIS 525 Ca -0.15 0.34 -0.09 0.00 -0.80 0.00 0.00 55.06 54.37 3ibb s HIS 525 Cb 0.04 0.51 0.05 0.00 -1.43 0.00 0.00 32.58 31.75 3ibb s HIS 525 CO 0.67 -0.81 1.06 0.20 -2.00 0.00 0.00 174.74 173.86 3ibb s GLY 526 N -2.62 1.64 -0.45 -1.38 0.00 -1.26 -5.05 107.32 98.19 3ibb s GLY 526 Ca 0.00 -0.72 0.04 0.00 0.00 0.00 0.00 44.72 44.04 3ibb s GLY 526 CO -0.11 -0.31 1.73 -2.01 0.00 0.00 0.00 173.10 172.40 3ibb n ASN 527 N -3.01 4.72 -4.69 1.64 5.15 -1.26 -5.04 115.26 112.77 3ibb n ASN 527 Ca 0.07 -3.74 -0.43 0.00 -0.60 0.00 0.00 54.58 49.88 3ibb n ASN 527 Cb 0.60 -0.76 -0.02 0.00 -0.53 0.00 0.00 39.78 39.07 3ibb n ASN 527 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ibb n ILE 528 N -1.02 1.52 -2.01 -1.44 3.06 -1.26 -4.85 119.36 113.37 3ibb n ILE 528 Ca 0.51 -0.38 -0.41 0.00 -2.50 0.00 0.00 62.75 59.97 3ibb n ILE 528 Cb 1.11 -1.54 -0.02 0.00 0.54 0.00 0.00 39.64 39.73 3ibb n ILE 528 CO 0.00 0.00 0.00 -2.84 -2.50 0.00 0.00 176.55 171.21 3ibb s PRO 529 N -1.20 4.27 0.00 9.51 0.02 -1.26 -5.12 135.00 141.21 3ibb s PRO 529 Ca 0.61 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.96 3ibb s PRO 529 Cb -0.60 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 30.86 3ibb s PRO 529 CO 0.56 -0.35 0.41 1.28 -0.33 0.00 0.00 177.00 178.57