#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 -0.23 5.18 0.13 -1.26 -4.30 119.36 118.88 3ibb n ILE 11 Ca 0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 62.75 61.63 3ibb n ILE 11 Cb 0.00 -0.97 0.18 0.00 -0.84 0.00 0.00 39.64 38.01 3ibb n ILE 11 CO 0.00 0.00 0.00 0.45 2.80 0.00 0.00 176.55 179.80 3ibb h HIS 12 N 0.00 1.01 -4.14 9.51 3.86 -2.03 -3.41 115.15 119.96 3ibb h HIS 12 Ca 0.00 -0.03 -0.48 0.00 -1.16 0.00 0.00 60.37 58.70 3ibb h HIS 12 Cb 0.60 -0.32 0.02 0.00 1.06 0.00 0.00 27.41 28.77 3ibb h HIS 12 CO 0.00 0.72 0.34 0.95 0.86 0.00 0.00 177.93 180.80 3ibb s THR 13 N -5.65 4.62 0.20 2.45 -4.23 -1.26 -4.90 115.64 106.88 3ibb s THR 13 Ca -0.11 1.03 -0.07 0.00 -1.18 0.00 0.00 61.69 61.37 3ibb s THR 13 Cb 0.17 -3.76 0.07 0.00 1.34 0.00 0.00 72.50 70.32 3ibb s THR 13 CO 0.80 -0.76 1.67 0.74 -0.54 0.00 0.00 174.62 176.53 3ibb h THR 14 N 0.68 1.26 -0.59 3.99 2.02 -1.96 -1.36 112.91 116.95 3ibb h THR 14 Ca -0.46 -1.16 0.01 0.00 0.77 0.00 0.00 66.41 65.56 3ibb h THR 14 Cb 1.19 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.45 3ibb h THR 14 CO 0.62 0.41 0.39 0.00 0.37 0.00 0.00 175.52 177.31 3ibb h ALA 15 N 1.07 0.75 -0.65 6.16 0.00 -1.95 -2.34 119.26 122.30 3ibb h ALA 15 Ca 0.15 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3ibb h ALA 15 Cb 0.57 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3ibb h ALA 15 CO 0.03 0.19 0.17 0.78 0.00 0.00 0.00 179.25 180.43 3ibb h GLY 16 N 0.81 1.11 1.16 0.00 0.00 -1.69 -2.49 103.07 101.96 3ibb h GLY 16 Ca 0.22 -0.69 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 3ibb h GLY 16 CO -0.05 0.64 0.28 0.50 0.00 0.00 0.00 176.54 177.91 3ibb h LYS 17 N 0.96 1.07 -0.67 4.80 1.57 -0.75 0.19 116.57 123.74 3ibb h LYS 17 Ca 0.21 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3ibb h LYS 17 Cb 0.34 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 3ibb h LYS 17 CO -0.00 0.87 0.34 -0.07 -0.57 0.00 0.00 179.45 180.03 3ibb h LEU 18 N 1.04 0.86 -0.99 2.94 3.38 -1.44 -3.18 115.31 117.92 3ibb h LEU 18 Ca 0.24 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3ibb h LEU 18 Cb 0.21 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3ibb h LEU 18 CO -0.02 0.73 0.28 0.00 0.09 0.00 0.00 178.44 179.53 3ibb h ALA 19 N 1.16 1.20 -0.59 1.53 0.00 -0.22 0.78 119.26 123.13 3ibb h ALA 19 Ca 0.23 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ibb h ALA 19 Cb 0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3ibb h ALA 19 CO -0.03 0.58 0.35 0.22 0.00 0.00 0.00 179.25 180.37 3ibb h ASP 20 N 0.99 0.70 -0.67 0.00 3.58 -1.19 -2.08 116.42 117.74 3ibb h ASP 20 Ca 0.23 -0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.61 3ibb h ASP 20 Cb 0.18 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 3ibb h ASP 20 CO -0.02 0.55 0.27 0.25 -2.88 0.00 0.00 179.24 177.41 3ibb h LEU 21 N 0.81 0.93 -0.77 2.28 5.85 -0.83 -0.27 115.31 123.31 3ibb h LEU 21 Ca 0.21 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 3ibb h LEU 21 Cb -0.02 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 3ibb h LEU 21 CO -0.04 0.84 0.47 0.03 -0.34 0.00 0.00 178.44 179.40 3ibb h ARG 22 N 0.95 1.04 -0.63 1.25 3.08 -1.07 -1.14 114.38 117.86 3ibb h ARG 22 Ca 0.23 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 60.11 3ibb h ARG 22 Cb 0.20 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3ibb h ARG 22 CO -0.02 0.72 0.11 -0.09 -1.07 0.00 0.00 179.97 179.62 3ibb h ARG 23 N 1.05 1.05 -0.76 0.04 2.43 -0.74 -0.68 114.38 116.77 3ibb h ARG 23 Ca 0.28 -0.28 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3ibb h ARG 23 Cb -0.05 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 3ibb h ARG 23 CO -0.05 0.97 0.34 0.00 -1.51 0.00 0.00 179.97 179.72 3ibb h ARG 24 N 0.96 1.10 -0.57 0.20 3.08 -0.93 -2.79 114.38 115.44 3ibb h ARG 24 Ca 0.19 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 3ibb h ARG 24 Cb 0.43 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 3ibb h ARG 24 CO 0.01 0.88 0.21 0.82 -1.07 0.00 0.00 179.97 180.81 3ibb h ILE 25 N 1.07 1.21 -0.71 2.04 2.04 -0.60 0.18 117.51 122.74 3ibb h ILE 25 Ca 0.26 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.44 3ibb h ILE 25 Cb 0.16 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 3ibb h ILE 25 CO -0.03 0.27 0.46 -0.08 0.00 0.00 0.00 178.15 178.78 3ibb h GLU 26 N 0.82 0.91 -0.05 2.37 4.57 -1.06 -3.18 114.58 118.96 3ibb h GLU 26 Ca 0.19 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.31 3ibb h GLU 26 Cb 0.20 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 28.58 3ibb h GLU 26 CO -0.01 0.60 -0.01 0.93 -1.18 0.00 0.00 179.01 179.34 3ibb h GLU 27 N 0.94 0.10 -0.46 1.92 5.08 -0.44 -3.30 114.58 118.42 3ibb h GLU 27 Ca 0.27 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.51 3ibb h GLU 27 Cb -0.08 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3ibb h GLU 27 CO -0.07 0.44 -0.02 0.00 -1.00 0.00 0.00 179.01 178.35 3ibb h ALA 28 N 0.66 1.10 0.00 3.43 0.00 -1.15 -2.08 119.26 121.22 3ibb h ALA 28 Ca 0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3ibb h ALA 28 Cb 0.40 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3ibb h ALA 28 CO 0.00 0.57 -0.21 1.79 0.00 0.00 0.00 179.25 181.40 3ibb h THR 29 N 0.71 0.85 -0.84 0.00 1.35 -1.70 -3.24 112.91 110.04 3ibb h THR 29 Ca 0.14 -0.82 -0.50 0.00 -0.55 0.00 0.00 66.41 64.67 3ibb h THR 29 Cb 0.47 1.49 -0.25 0.00 -1.73 0.00 0.00 68.15 68.12 3ibb h THR 29 CO 0.02 0.21 0.65 1.41 -0.25 0.00 0.00 175.52 177.56 3ibb n HIS 30 N -3.85 2.66 -0.18 4.73 -0.00 -0.79 -4.89 115.22 112.90 3ibb n HIS 30 Ca -0.02 -2.18 -0.08 0.00 -0.00 0.00 0.00 57.72 55.45 3ibb n HIS 30 Cb 0.31 -1.07 0.02 0.00 -0.00 0.00 0.00 29.99 29.24 3ibb n HIS 30 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3ibb h ALA 31 N 1.50 0.68 -2.31 -1.41 0.00 -1.57 -3.43 119.26 112.72 3ibb h ALA 31 Ca 0.53 -0.15 -0.44 0.00 0.00 0.00 0.00 54.91 54.84 3ibb h ALA 31 Cb 1.71 -0.20 0.17 0.00 0.00 0.00 0.00 17.79 19.46 3ibb h ALA 31 CO 1.14 0.27 0.15 0.20 0.00 0.00 0.00 179.25 181.02 3ibb s GLY 32 N -3.03 1.56 0.72 0.00 0.00 -1.26 -4.95 107.32 100.35 3ibb s GLY 32 Ca -0.13 -0.40 -0.12 0.00 0.00 0.00 0.00 44.72 44.07 3ibb s GLY 32 CO 0.78 0.27 1.10 -0.45 0.00 0.00 0.00 173.10 174.79 3ibb s SER 33 N -3.34 4.77 0.45 1.64 0.15 -1.26 -4.90 113.70 111.21 3ibb s SER 33 Ca 0.66 1.89 0.12 0.00 0.70 0.00 0.00 55.95 59.32 3ibb s SER 33 Cb -0.19 -2.53 1.03 0.00 -1.71 0.00 0.00 66.02 62.62 3ibb s SER 33 CO 0.59 -1.86 2.05 0.00 1.20 0.00 0.00 173.24 175.22 3ibb h ALA 34 N -0.65 1.92 -0.40 5.45 0.00 -1.96 -0.21 119.26 123.41 3ibb h ALA 34 Ca -0.45 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 3ibb h ALA 34 Cb 1.24 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3ibb h ALA 34 CO 0.53 0.02 -0.01 -0.09 0.00 0.00 0.00 179.25 179.70 3ibb h ARG 35 N 0.36 0.65 -0.33 0.00 2.43 -1.98 1.00 114.38 116.51 3ibb h ARG 35 Ca 0.17 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3ibb h ARG 35 Cb 0.21 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3ibb h ARG 35 CO -0.04 0.68 0.20 0.00 -1.51 0.00 0.00 179.97 179.29 3ibb h ALA 36 N 1.38 0.42 -0.29 2.80 0.00 -1.46 -2.99 119.26 119.12 3ibb h ALA 36 Ca 0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3ibb h ALA 36 Cb 0.40 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3ibb h ALA 36 CO 0.02 -0.08 0.02 0.28 0.00 0.00 0.00 179.25 179.49 3ibb h VAL 37 N 0.42 1.25 -0.48 0.00 2.07 -0.33 -2.81 116.25 116.38 3ibb h VAL 37 Ca 0.12 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 3ibb h VAL 37 Cb 0.01 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 3ibb h VAL 37 CO -0.02 0.28 0.30 -0.08 0.02 0.00 0.00 177.57 178.07 3ibb h GLU 38 N 0.30 0.64 -0.64 1.57 4.81 0.94 -2.19 114.58 120.01 3ibb h GLU 38 Ca 0.08 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 3ibb h GLU 38 Cb 0.39 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 3ibb h GLU 38 CO 0.01 0.46 0.17 -0.22 -0.73 0.00 0.00 179.01 178.70 3ibb h LYS 39 N 0.64 1.00 -0.51 1.92 3.64 -1.40 -2.26 116.57 119.60 3ibb h LYS 39 Ca 0.17 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3ibb h LYS 39 Cb -0.03 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 3ibb h LYS 39 CO -0.03 0.88 0.28 0.37 -2.27 0.00 0.00 179.45 178.67 3ibb h GLN 40 N 0.96 0.71 -0.34 1.90 5.75 -1.20 -3.23 115.11 119.66 3ibb h GLN 40 Ca 0.21 -0.08 -0.05 0.00 -0.15 0.00 0.00 58.65 58.58 3ibb h GLN 40 Cb 0.32 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 3ibb h GLN 40 CO -0.00 0.56 0.03 0.45 -2.65 0.00 0.00 178.83 177.21 3ibb h HIS 41 N 0.68 0.62 0.00 3.99 3.86 -0.79 0.18 115.15 123.69 3ibb h HIS 41 Ca 0.18 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 3ibb h HIS 41 Cb 0.05 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.35 3ibb h HIS 41 CO -0.02 0.67 -0.08 0.00 0.86 0.00 0.00 177.93 179.36 3ibb h ALA 42 N 0.88 1.66 -0.10 2.45 0.00 -1.62 -2.85 119.26 119.67 3ibb h ALA 42 Ca 0.10 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3ibb h ALA 42 Cb 0.40 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3ibb h ALA 42 CO 0.01 0.10 0.21 -0.22 0.00 0.00 0.00 179.25 179.36 3ibb h LYS 43 N 0.00 0.00 0.00 0.00 3.64 -0.66 -3.41 116.57 116.14 3ibb h LYS 43 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ibb h LYS 43 Cb 0.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3ibb h LYS 43 CO 0.01 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.60 3ibb n GLY 44 N -1.28 1.40 3.62 5.01 0.00 -1.08 -5.10 105.19 107.76 3ibb n GLY 44 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.20 1.52 0.09 1.61 1.02 -1.24 -4.75 119.74 117.79 3ibb s LYS 45 Ca 0.00 -0.92 0.07 0.00 0.02 0.00 0.00 55.97 55.13 3ibb s LYS 45 Cb 0.00 0.55 -0.03 0.00 -0.52 0.00 0.00 37.83 37.82 3ibb s LYS 45 CO 0.00 -0.66 -0.18 -0.51 -0.92 0.00 0.00 175.35 173.08 3ibb s LEU 46 N -2.90 2.30 0.85 3.17 1.43 -1.26 -4.16 118.68 118.10 3ibb s LEU 46 Ca 0.11 -0.67 -0.11 0.00 -1.03 0.00 0.00 54.13 52.43 3ibb s LEU 46 Cb -0.02 -0.72 0.10 0.00 0.03 0.00 0.00 46.19 45.58 3ibb s LEU 46 CO 0.01 -0.01 1.09 0.28 0.23 0.00 0.00 176.35 177.95 3ibb s THR 47 N -1.26 2.91 0.27 5.49 -1.32 -1.26 -4.65 115.64 115.82 3ibb s THR 47 Ca 0.03 0.30 -0.04 0.00 -1.21 0.00 0.00 61.69 60.77 3ibb s THR 47 Cb -0.10 -2.85 0.23 0.00 -1.51 0.00 0.00 72.50 68.28 3ibb s THR 47 CO 0.03 -0.39 1.92 0.00 -2.21 0.00 0.00 174.62 173.97 3ibb h ALA 48 N -1.35 1.31 -0.71 11.08 0.00 -1.93 0.22 119.26 127.88 3ibb h ALA 48 Ca -0.48 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 3ibb h ALA 48 Cb 1.27 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3ibb h ALA 48 CO 0.55 0.59 0.41 0.00 0.00 0.00 0.00 179.25 180.81 3ibb h ARG 49 N 1.14 0.97 -0.33 0.00 -0.00 -1.94 -1.40 114.38 112.82 3ibb h ARG 49 Ca 0.30 -0.10 -0.03 0.00 -0.50 0.00 0.00 59.98 59.65 3ibb h ARG 49 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 29.97 29.72 3ibb h ARG 49 CO -0.05 0.70 0.08 0.93 0.00 0.00 0.00 179.97 181.63 3ibb h GLU 50 N 0.97 0.53 -0.87 0.04 5.08 -1.05 -1.24 114.58 118.04 3ibb h GLU 50 Ca 0.25 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3ibb h GLU 50 Cb -0.01 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 3ibb h GLU 50 CO -0.05 0.59 0.51 0.00 -1.00 0.00 0.00 179.01 179.07 3ibb h ARG 51 N 0.38 1.19 -0.52 2.33 3.08 -0.78 -2.54 114.38 117.53 3ibb h ARG 51 Ca 0.10 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 3ibb h ARG 51 Cb 0.29 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3ibb h ARG 51 CO 0.00 0.84 0.10 0.82 -1.07 0.00 0.00 179.97 180.67 3ibb h ILE 52 N 1.20 1.25 -0.97 2.04 2.04 -0.89 -3.05 117.51 119.13 3ibb h ILE 52 Ca 0.31 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 65.27 3ibb h ILE 52 Cb -0.03 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 3ibb h ILE 52 CO -0.06 0.33 0.61 -0.78 0.00 0.00 0.00 178.15 178.25 3ibb h ASP 53 N 0.74 1.14 -0.03 1.72 -0.00 -0.81 -2.37 116.42 116.80 3ibb h ASP 53 Ca 0.16 -0.05 -0.00 0.00 -0.00 0.00 0.00 57.03 57.14 3ibb h ASP 53 Cb 0.37 -0.29 -0.00 0.00 -0.00 0.00 0.00 39.33 39.41 3ibb h ASP 53 CO 0.01 0.85 0.01 -0.07 -0.00 0.00 0.00 179.24 180.03 3ibb h LEU 54 N 1.32 0.05 -0.96 2.28 3.38 -1.45 -3.27 115.31 116.66 3ibb h LEU 54 Ca 0.35 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 3ibb h LEU 54 Cb -0.10 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3ibb h LEU 54 CO -0.07 0.28 -0.14 0.25 0.09 0.00 0.00 178.44 178.85 3ibb h LEU 55 N -0.18 0.58 -9.21 1.67 5.85 -1.39 -3.44 115.31 109.19 3ibb h LEU 55 Ca 0.01 -0.17 -0.64 0.00 0.84 0.00 0.00 57.88 57.93 3ibb h LEU 55 Cb 0.25 -0.16 -0.15 0.00 0.37 0.00 0.00 40.66 40.98 3ibb h LEU 55 CO 0.00 0.75 -0.57 -0.76 -0.34 0.00 0.00 178.44 177.52 3ibb s LEU 56 N -8.88 3.83 0.51 2.25 1.43 -0.92 -4.59 118.68 112.32 3ibb s LEU 56 Ca -0.08 0.15 -0.23 0.00 -1.03 0.00 0.00 54.13 52.94 3ibb s LEU 56 Cb 0.14 -1.94 -0.06 0.00 0.03 0.00 0.00 46.19 44.36 3ibb s LEU 56 CO 0.79 0.25 1.31 -1.81 0.23 0.00 0.00 176.35 177.13 3ibb s ASP 57 N -0.10 5.61 0.29 2.29 -0.00 -0.56 -4.76 116.67 119.44 3ibb s ASP 57 Ca 0.07 2.66 -0.30 0.00 -0.00 0.00 0.00 52.55 54.98 3ibb s ASP 57 Cb -0.12 -2.63 -0.11 0.00 -0.00 0.00 0.00 42.92 40.06 3ibb s ASP 57 CO 0.01 -1.33 1.51 -0.70 -0.00 0.00 0.00 175.17 174.66 3ibb s GLU 58 N -2.77 4.18 0.00 8.23 2.56 -1.26 -1.51 118.70 128.14 3ibb s GLU 58 Ca 0.68 2.46 0.00 0.00 0.00 0.00 0.00 54.97 58.11 3ibb s GLU 58 Cb -0.38 -3.05 0.00 0.00 2.00 0.00 0.00 34.13 32.70 3ibb s GLU 58 CO 0.45 -0.52 0.00 0.41 -0.56 0.00 0.00 175.26 175.04 3ibb n GLY 59 N 1.90 2.22 0.21 -1.50 0.00 -1.26 -4.89 105.19 101.87 3ibb n GLY 59 Ca 0.06 0.00 0.09 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 0.00 0.00 -3.97 1.61 4.64 -1.59 -3.48 113.55 110.76 3ibb h SER 60 Ca 0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 3ibb h SER 60 Cb 0.00 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.12 3ibb h SER 60 CO 0.00 0.24 0.43 0.12 -0.87 0.00 0.00 176.83 176.74 3ibb s PHE 61 N -3.47 3.18 -0.08 4.77 5.36 -1.26 -4.63 117.98 121.86 3ibb s PHE 61 Ca 0.02 1.62 0.02 0.00 -0.96 0.00 0.00 56.93 57.63 3ibb s PHE 61 Cb 0.09 -3.17 0.01 0.00 -0.34 0.00 0.00 43.02 39.61 3ibb s PHE 61 CO 0.65 -0.80 -0.15 0.08 -1.46 0.00 0.00 175.22 173.54 3ibb s VAL 62 N -1.65 1.38 0.63 3.12 1.01 -1.05 -4.98 120.40 118.86 3ibb s VAL 62 Ca 0.59 -0.61 -0.16 0.00 0.00 0.00 0.00 61.98 61.80 3ibb s VAL 62 Cb -0.23 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 3ibb s VAL 62 CO 0.29 0.41 1.11 -1.61 0.00 0.00 0.00 175.10 175.30 3ibb s GLU 63 N 0.67 2.92 0.03 2.72 0.41 -1.26 -2.72 118.70 121.47 3ibb s GLU 63 Ca -0.14 1.44 0.02 0.00 -0.41 0.00 0.00 54.97 55.88 3ibb s GLU 63 Cb -0.16 -1.96 -0.02 0.00 -1.78 0.00 0.00 34.13 30.21 3ibb s GLU 63 CO 0.04 -1.16 -0.06 -0.51 -0.49 0.00 0.00 175.26 173.07 3ibb s LEU 64 N -4.63 2.19 -1.45 1.80 1.43 -0.16 -4.85 118.68 113.01 3ibb s LEU 64 Ca 0.68 -0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 53.33 3ibb s LEU 64 Cb -0.21 -0.15 0.01 0.00 0.03 0.00 0.00 46.19 45.87 3ibb s LEU 64 CO 0.38 -0.15 0.24 0.47 0.23 0.00 0.00 176.35 177.52 3ibb n ASP 65 N 1.86 -5.09 -0.17 2.29 8.00 -1.26 -4.46 116.55 117.72 3ibb n ASP 65 Ca -0.20 -0.09 -0.00 0.00 0.71 0.00 0.00 54.79 55.21 3ibb n ASP 65 Cb 0.56 -4.21 0.25 0.00 -0.02 0.00 0.00 41.12 37.69 3ibb n ASP 65 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3ibb h GLU 66 N -0.52 0.90 -0.01 -1.24 4.81 -1.90 -2.69 114.58 113.92 3ibb h GLU 66 Ca -0.44 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3ibb h GLU 66 Cb 1.31 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3ibb h GLU 66 CO 0.51 0.65 -0.26 1.19 -0.73 0.00 0.00 179.01 180.37 3ibb n PHE 67 N -4.38 0.00 -2.10 0.92 3.72 -1.26 -2.56 117.46 111.79 3ibb n PHE 67 Ca 0.06 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.05 3ibb n PHE 67 Cb 0.09 -0.05 -0.02 0.00 -0.94 0.00 0.00 39.48 38.55 3ibb n PHE 67 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ibb s ALA 68 N -2.37 3.56 0.02 4.37 0.00 -1.02 -4.43 121.76 121.90 3ibb s ALA 68 Ca 0.25 1.25 -0.05 0.00 0.00 0.00 0.00 51.96 53.41 3ibb s ALA 68 Cb 0.19 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 3ibb s ALA 68 CO 0.49 -0.66 0.08 1.03 0.00 0.00 0.00 175.76 176.70 3ibb s ARG 69 N -0.71 0.47 0.34 0.00 0.52 -1.26 0.10 118.95 118.42 3ibb s ARG 69 Ca 0.56 -0.57 -0.28 0.00 -0.52 0.00 0.00 55.73 54.92 3ibb s ARG 69 Cb -0.40 0.19 -0.10 0.00 0.52 0.00 0.00 34.95 35.16 3ibb s ARG 69 CO 0.45 -0.11 1.23 -3.38 0.02 0.00 0.00 175.30 173.51 3ibb s HIS 70 N -1.80 3.15 -0.32 -0.53 -3.43 -1.26 -4.98 115.29 106.12 3ibb s HIS 70 Ca -0.12 1.51 -0.10 0.00 -0.80 0.00 0.00 55.06 55.55 3ibb s HIS 70 Cb -0.06 -3.52 -0.01 0.00 -1.43 0.00 0.00 32.58 27.56 3ibb s HIS 70 CO -0.01 -1.46 0.18 -0.98 -2.00 0.00 0.00 174.74 170.47 3ibb s ARG 71 N -1.88 3.33 0.04 -0.38 1.70 -1.26 -4.97 118.95 115.53 3ibb s ARG 71 Ca 0.51 -0.73 -0.00 0.00 -0.47 0.00 0.00 55.73 55.03 3ibb s ARG 71 Cb -0.36 -3.63 -0.03 0.00 -0.57 0.00 0.00 34.95 30.36 3ibb s ARG 71 CO 0.46 -0.45 -0.04 0.45 -1.08 0.00 0.00 175.30 174.65 3ibb s SER 72 N 1.63 0.49 -0.01 -2.89 0.15 -1.26 -4.93 113.70 106.88 3ibb s SER 72 Ca 0.05 -0.83 0.02 0.00 0.70 0.00 0.00 55.95 55.89 3ibb s SER 72 Cb -0.17 0.15 -0.03 0.00 -1.71 0.00 0.00 66.02 64.26 3ibb s SER 72 CO 0.07 -0.48 0.02 0.35 1.20 0.00 0.00 173.24 174.41 3ibb n THR 73 N 0.61 0.06 -1.98 6.45 -2.24 -1.26 -4.68 114.28 111.23 3ibb n THR 73 Ca -0.17 -0.06 -0.41 0.00 -2.27 0.00 0.00 64.05 61.14 3ibb n THR 73 Cb 0.59 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.54 3ibb n THR 73 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3ibb s ASN 74 N -2.73 6.60 -1.34 3.42 -0.87 -1.26 -3.80 114.94 114.97 3ibb s ASN 74 Ca -0.01 2.79 -0.04 0.00 -1.57 0.00 0.00 52.86 54.03 3ibb s ASN 74 Cb 0.01 -2.64 0.03 0.00 -0.02 0.00 0.00 41.25 38.62 3ibb s ASN 74 CO 0.08 -0.70 0.32 0.49 -2.57 0.00 0.00 177.10 174.72 3ibb n PHE 75 N 1.30 -1.64 -0.08 2.20 3.72 -1.26 -0.31 117.46 121.39 3ibb n PHE 75 Ca 0.03 0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.72 3ibb n PHE 75 Cb 0.40 -3.40 0.00 0.00 -0.94 0.00 0.00 39.48 35.55 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 -1.13 0.56 0.29 1.37 0.00 -1.25 -4.88 105.19 100.16 3ibb n GLY 76 Ca -0.11 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.94 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 0.46 -0.33 0.99 6.46 -0.82 0.38 115.31 122.45 3ibb h LEU 77 Ca 0.00 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 3ibb h LEU 77 Cb 0.00 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 39.81 3ibb h LEU 77 CO 0.00 0.41 0.00 -0.90 -0.62 0.00 0.00 178.44 177.33 3ibb n ASP 78 N -4.41 0.34 -0.25 1.25 3.85 -1.26 -3.00 116.55 113.08 3ibb n ASP 78 Ca 0.02 0.58 0.07 0.00 -0.71 0.00 0.00 54.79 54.75 3ibb n ASP 78 Cb 0.12 -0.65 0.31 0.00 -1.35 0.00 0.00 41.12 39.55 3ibb n ASP 78 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3ibb h ALA 79 N 2.40 1.65 -3.36 2.12 0.00 -0.62 -3.32 119.26 118.13 3ibb h ALA 79 Ca 0.00 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.27 3ibb h ALA 79 Cb 0.32 -0.21 -0.33 0.00 0.00 0.00 0.00 17.79 17.57 3ibb h ALA 79 CO 0.00 0.20 -0.86 -0.80 0.00 0.00 0.00 179.25 177.79 3ibb s ASN 80 N -6.04 2.69 -0.51 0.00 0.01 -1.16 -5.06 114.94 104.87 3ibb s ASN 80 Ca -0.10 -0.48 0.07 0.00 -0.71 0.00 0.00 52.86 51.64 3ibb s ASN 80 Cb 0.20 -1.23 0.28 0.00 0.41 0.00 0.00 41.25 40.91 3ibb s ASN 80 CO 0.79 0.12 0.72 0.54 -1.51 0.00 0.00 177.10 177.76 3ibb n ARG 81 N 3.63 1.90 -2.21 -0.60 1.74 -1.25 -4.96 116.66 114.90 3ibb n ARG 81 Ca -0.20 -4.09 -0.41 0.00 -0.77 0.00 0.00 57.85 52.39 3ibb n ARG 81 Cb 0.53 -1.86 -0.03 0.00 -1.02 0.00 0.00 32.46 30.07 3ibb n ARG 81 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3ibb s PRO 82 N -2.30 4.42 0.28 5.56 0.04 -1.26 -4.73 135.00 137.01 3ibb s PRO 82 Ca 0.40 2.10 -0.29 0.00 0.04 0.00 0.00 61.00 63.25 3ibb s PRO 82 Cb 0.21 -3.12 -0.10 0.00 0.04 0.00 0.00 34.50 31.53 3ibb s PRO 82 CO -0.08 -0.12 1.30 0.71 0.04 0.00 0.00 177.00 178.85 3ibb s TYR 83 N -0.84 3.16 0.00 0.56 1.51 -1.26 -2.81 117.35 117.67 3ibb s TYR 83 Ca 0.50 1.35 0.00 0.00 -1.01 0.00 0.00 57.07 57.91 3ibb s TYR 83 Cb -0.37 -3.63 0.00 0.00 -0.11 0.00 0.00 41.96 37.85 3ibb s TYR 83 CO 0.47 -1.80 0.00 0.41 -1.11 0.00 0.00 175.55 173.52 3ibb n GLY 84 N 1.42 1.18 2.42 0.71 0.00 0.12 -4.41 105.19 106.64 3ibb n GLY 84 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 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 -4.95 -3.17 1.61 2.03 -1.12 -0.65 116.55 110.30 3ibb n ASP 85 Ca 0.00 0.26 -0.23 0.00 0.52 0.00 0.00 54.79 55.35 3ibb n ASP 85 Cb 0.00 -3.95 0.02 0.00 -0.72 0.00 0.00 41.12 36.47 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 -0.98 -0.51 3.21 0.27 0.00 -1.26 -4.72 105.19 101.21 3ibb n GLY 86 Ca -0.17 0.11 -0.19 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.06 1.27 -0.19 1.61 0.11 0.18 -2.14 120.40 118.18 3ibb s VAL 87 Ca 0.35 -1.47 -0.04 0.00 -2.93 0.00 0.00 61.98 57.89 3ibb s VAL 87 Cb -0.17 -1.28 -0.02 0.00 -1.53 0.00 0.00 36.38 33.38 3ibb s VAL 87 CO 0.43 -0.26 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.23 3ibb s VAL 88 N -1.52 3.82 -0.11 2.04 1.01 0.31 -4.80 120.40 121.14 3ibb s VAL 88 Ca 0.03 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.65 3ibb s VAL 88 Cb -0.08 -2.71 0.02 0.00 0.00 0.00 0.00 36.38 33.60 3ibb s VAL 88 CO 0.03 0.44 -0.12 0.42 0.00 0.00 0.00 175.10 175.87 3ibb s THR 89 N 0.90 1.34 0.20 3.92 -4.23 -1.26 -0.28 115.64 116.24 3ibb s THR 89 Ca 0.00 -0.52 -0.22 0.00 -1.18 0.00 0.00 61.69 59.77 3ibb s THR 89 Cb -0.14 -1.26 0.05 0.00 1.34 0.00 0.00 72.50 72.48 3ibb s THR 89 CO 0.02 0.41 0.68 -0.83 -0.54 0.00 0.00 174.62 174.36 3ibb s GLY 90 N 1.27 -0.36 -0.22 3.99 0.00 -0.77 -0.99 107.32 110.23 3ibb s GLY 90 Ca -0.02 0.15 -0.07 0.00 0.00 0.00 0.00 44.72 44.78 3ibb s GLY 90 CO -0.05 0.05 0.06 -2.52 0.00 0.00 0.00 173.10 170.64 3ibb s TYR 91 N -3.77 3.12 0.12 1.90 -0.85 -1.10 -1.01 117.35 115.76 3ibb s TYR 91 Ca 0.06 -0.28 0.03 0.00 -0.52 0.00 0.00 57.07 56.36 3ibb s TYR 91 Cb -0.03 -2.17 -0.04 0.00 0.38 0.00 0.00 41.96 40.10 3ibb s TYR 91 CO -0.03 -0.19 -0.09 0.20 -1.52 0.00 0.00 175.55 173.91 3ibb s GLY 92 N 1.16 0.94 -0.22 5.49 0.00 -1.03 -2.53 107.32 111.14 3ibb s GLY 92 Ca 0.04 -1.42 -0.07 0.00 0.00 0.00 0.00 44.72 43.27 3ibb s GLY 92 CO 0.03 -1.52 0.06 -1.08 0.00 0.00 0.00 173.10 170.59 3ibb s THR 93 N -3.38 4.46 -0.31 0.90 -1.32 -1.26 -1.87 115.64 112.86 3ibb s THR 93 Ca 0.14 -0.13 -0.20 0.00 -1.21 0.00 0.00 61.69 60.29 3ibb s THR 93 Cb 0.03 -3.05 -0.01 0.00 -1.51 0.00 0.00 72.50 67.96 3ibb s THR 93 CO -0.02 0.39 0.61 -0.69 -2.21 0.00 0.00 174.62 172.71 3ibb s VAL 94 N 1.08 4.95 -1.40 5.08 1.01 -0.83 -1.49 120.40 128.79 3ibb s VAL 94 Ca 0.04 0.80 -0.04 0.00 0.00 0.00 0.00 61.98 62.77 3ibb s VAL 94 Cb -0.14 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.27 3ibb s VAL 94 CO 0.03 -0.15 0.36 0.47 0.00 0.00 0.00 175.10 175.82 3ibb n ASP 95 N 5.86 -4.91 -0.46 3.32 10.43 -1.26 -0.82 116.55 128.70 3ibb n ASP 95 Ca -0.02 -0.18 -0.06 0.00 2.57 0.00 0.00 54.79 57.11 3ibb n ASP 95 Cb 0.49 -4.04 -0.03 0.00 1.84 0.00 0.00 41.12 39.38 3ibb n ASP 95 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3ibb n GLY 96 N -1.20 0.84 3.33 0.44 0.00 -1.26 -5.02 105.19 102.32 3ibb n GLY 96 Ca -0.11 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.39 2.24 0.24 1.61 0.52 -0.00 -5.09 118.95 116.07 3ibb s ARG 97 Ca 0.00 -0.89 -0.30 0.00 -0.52 0.00 0.00 55.73 54.02 3ibb s ARG 97 Cb 0.00 -2.11 -0.10 0.00 0.52 0.00 0.00 34.95 33.26 3ibb s ARG 97 CO 0.00 0.54 1.46 -1.25 0.02 0.00 0.00 175.30 176.08 3ibb s PRO 98 N -0.56 4.25 0.04 3.54 0.04 -1.26 -1.95 135.00 139.10 3ibb s PRO 98 Ca 0.08 2.32 0.03 0.00 0.04 0.00 0.00 61.00 63.47 3ibb s PRO 98 Cb -0.11 -3.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.30 3ibb s PRO 98 CO -0.00 -0.46 -0.09 0.08 0.04 0.00 0.00 177.00 176.57 3ibb s VAL 99 N 0.14 0.67 -0.07 -0.36 1.01 -0.78 -4.31 120.40 116.70 3ibb s VAL 99 Ca 0.61 -1.07 0.04 0.00 0.00 0.00 0.00 61.98 61.56 3ibb s VAL 99 Cb -0.42 -0.70 -0.00 0.00 0.00 0.00 0.00 36.38 35.26 3ibb s VAL 99 CO 0.42 -0.31 -0.20 0.00 0.00 0.00 0.00 175.10 175.02 3ibb s ALA 100 N -1.26 1.77 0.08 5.51 0.00 -0.30 -2.46 121.76 125.10 3ibb s ALA 100 Ca -0.07 -0.78 0.06 0.00 0.00 0.00 0.00 51.96 51.16 3ibb s ALA 100 Cb -0.09 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 3ibb s ALA 100 CO 0.01 0.27 -0.15 0.54 0.00 0.00 0.00 175.76 176.43 3ibb s VAL 101 N 0.21 1.19 0.01 0.00 0.11 -0.18 -2.27 120.40 119.48 3ibb s VAL 101 Ca -0.10 -1.34 -0.01 0.00 -2.93 0.00 0.00 61.98 57.59 3ibb s VAL 101 Cb -0.15 -1.14 -0.01 0.00 -1.53 0.00 0.00 36.38 33.55 3ibb s VAL 101 CO 0.05 -0.21 0.00 0.72 -3.33 0.00 0.00 175.10 172.33 3ibb s PHE 102 N -1.28 0.19 -0.14 1.54 -0.71 -1.17 -1.86 117.98 114.56 3ibb s PHE 102 Ca -0.01 -0.39 0.02 0.00 -1.04 0.00 0.00 56.93 55.51 3ibb s PHE 102 Cb -0.10 -0.14 0.01 0.00 -1.21 0.00 0.00 43.02 41.57 3ibb s PHE 102 CO 0.03 -0.18 -0.20 0.45 -1.34 0.00 0.00 175.22 173.98 3ibb s SER 103 N -1.25 3.29 0.33 1.98 0.15 0.62 -0.59 113.70 118.23 3ibb s SER 103 Ca -0.14 -0.56 -0.29 0.00 0.70 0.00 0.00 55.95 55.67 3ibb s SER 103 Cb -0.08 -1.48 -0.11 0.00 -1.71 0.00 0.00 66.02 62.64 3ibb s SER 103 CO -0.00 0.09 1.40 -1.10 1.20 0.00 0.00 173.24 174.83 3ibb s GLN 104 N 0.77 4.25 -0.29 5.44 -0.21 0.14 -0.53 119.66 129.23 3ibb s GLN 104 Ca -0.08 2.37 -0.08 0.00 0.02 0.00 0.00 55.36 57.59 3ibb s GLN 104 Cb -0.16 -3.04 -0.01 0.00 1.00 0.00 0.00 33.01 30.80 3ibb s GLN 104 CO -0.00 -0.36 0.11 0.34 -2.12 0.00 0.00 175.29 173.25 3ibb s ASP 105 N -0.18 5.32 0.23 5.90 -1.08 -0.91 -4.54 116.67 121.41 3ibb s ASP 105 Ca 0.53 -0.48 -0.05 0.00 -0.52 0.00 0.00 52.55 52.03 3ibb s ASP 105 Cb -0.43 -1.95 0.22 0.00 -1.46 0.00 0.00 42.92 39.31 3ibb s ASP 105 CO 0.55 -0.15 1.73 0.15 0.52 0.00 0.00 175.17 177.97 3ibb h PHE 106 N 8.29 1.01 -0.33 -5.34 3.57 -1.87 -3.13 116.94 119.14 3ibb h PHE 106 Ca -0.34 -0.14 0.05 0.00 3.53 0.00 0.00 57.97 61.07 3ibb h PHE 106 Cb 1.15 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.59 3ibb h PHE 106 CO 0.64 0.88 0.23 1.79 -2.23 0.00 0.00 178.31 179.62 3ibb h THR 107 N 0.89 0.96 -3.64 4.41 1.35 -1.92 -1.26 112.91 113.70 3ibb h THR 107 Ca 0.18 -0.08 -0.64 0.00 -0.55 0.00 0.00 66.41 65.31 3ibb h THR 107 Cb 0.44 0.70 -0.15 0.00 -1.73 0.00 0.00 68.15 67.41 3ibb h THR 107 CO 0.02 0.04 -0.12 -0.69 -0.25 0.00 0.00 175.52 174.52 3ibb s VAL 108 N -5.25 5.09 -1.85 6.82 1.01 -1.24 -3.87 120.40 121.10 3ibb s VAL 108 Ca -0.06 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.40 3ibb s VAL 108 Cb 0.18 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.71 3ibb s VAL 108 CO 0.71 -0.04 0.00 0.49 0.00 0.00 0.00 175.10 176.26 3ibb n PHE 109 N 5.55 -0.38 -2.93 5.22 3.72 -1.26 0.26 117.46 127.64 3ibb n PHE 109 Ca -0.06 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.13 3ibb n PHE 109 Cb 0.50 -3.43 0.01 0.00 -0.94 0.00 0.00 39.48 35.62 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 -0.80 -0.51 3.37 1.37 0.00 -1.12 -1.62 105.19 105.88 3ibb n GLY 110 Ca -0.21 0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.24 -0.52 3.80 -0.02 0.00 0.72 -1.70 105.19 106.23 3ibb n GLY 111 Ca -0.11 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.19 2.59 -0.17 4.61 0.00 -0.64 -0.32 121.76 124.66 3ibb s ALA 112 Ca 0.45 0.31 -0.10 0.00 0.00 0.00 0.00 51.96 52.62 3ibb s ALA 112 Cb -0.21 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 3ibb s ALA 112 CO 0.55 -1.17 0.16 -0.51 0.00 0.00 0.00 175.76 174.80 3ibb s LEU 113 N -5.10 4.27 0.11 0.00 2.01 -1.15 -4.71 118.68 114.12 3ibb s LEU 113 Ca 0.62 0.36 0.05 0.00 0.01 0.00 0.00 54.13 55.16 3ibb s LEU 113 Cb -0.16 -2.14 -0.04 0.00 0.01 0.00 0.00 46.19 43.86 3ibb s LEU 113 CO 0.46 0.24 -0.11 -0.83 1.01 0.00 0.00 176.35 177.11 3ibb s GLY 114 N -0.05 0.95 0.25 -3.19 0.00 -1.26 -2.34 107.32 101.69 3ibb s GLY 114 Ca 0.12 -1.26 -0.06 0.00 0.00 0.00 0.00 44.72 43.51 3ibb s GLY 114 CO 0.01 -1.33 1.40 -2.21 0.00 0.00 0.00 173.10 170.97 3ibb n GLU 115 N 0.46 -0.08 -0.21 2.90 2.13 -1.26 0.24 120.64 124.82 3ibb n GLU 115 Ca -0.15 1.39 -0.07 0.00 0.66 0.00 0.00 57.16 58.99 3ibb n GLU 115 Cb 0.58 -2.09 0.08 0.00 0.27 0.00 0.00 31.44 30.27 3ibb n GLU 115 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3ibb h VAL 116 N 0.00 1.26 -0.63 6.31 2.07 -1.93 -2.37 116.25 120.96 3ibb h VAL 116 Ca 0.44 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 3ibb h VAL 116 Cb 0.71 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 3ibb h VAL 116 CO -0.91 0.38 0.26 0.22 0.02 0.00 0.00 177.57 177.53 3ibb h TYR 117 N 0.98 0.94 -0.48 1.57 5.03 0.28 0.52 116.97 125.80 3ibb h TYR 117 Ca 0.20 -0.07 -0.05 0.00 2.58 0.00 0.00 58.73 61.39 3ibb h TYR 117 Cb 0.42 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 38.40 3ibb h TYR 117 CO 0.03 0.74 0.12 0.78 -1.32 0.00 0.00 178.16 178.51 3ibb h GLY 118 N 0.87 0.83 1.67 1.82 0.00 0.20 -2.92 103.07 105.55 3ibb h GLY 118 Ca 0.21 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 3ibb h GLY 118 CO -0.02 0.49 0.09 1.46 0.00 0.00 0.00 176.54 178.56 3ibb h GLN 119 N 0.66 0.43 -0.40 4.80 4.20 -1.27 -1.94 115.11 121.59 3ibb h GLN 119 Ca 0.15 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.83 3ibb h GLN 119 Cb 0.32 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 3ibb h GLN 119 CO 0.00 0.38 0.22 -0.22 -0.67 0.00 0.00 178.83 178.54 3ibb h LYS 120 N 0.43 0.43 -0.28 1.46 3.64 0.25 -0.86 116.57 121.63 3ibb h LYS 120 Ca 0.10 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.36 3ibb h LYS 120 Cb 0.13 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3ibb h LYS 120 CO -0.01 0.28 -0.26 0.82 -2.27 0.00 0.00 179.45 178.01 3ibb h ILE 121 N 0.44 1.27 -0.81 2.00 2.04 -1.46 -3.05 117.51 117.94 3ibb h ILE 121 Ca 0.17 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.71 3ibb h ILE 121 Cb 0.05 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 3ibb h ILE 121 CO -0.10 0.42 0.52 0.58 0.00 0.00 0.00 178.15 179.57 3ibb h VAL 122 N 0.48 1.21 -0.68 1.67 2.07 -0.39 -0.61 116.25 120.01 3ibb h VAL 122 Ca 0.07 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 3ibb h VAL 122 Cb 0.71 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 3ibb h VAL 122 CO 0.05 0.21 0.24 0.50 0.02 0.00 0.00 177.57 178.60 3ibb h LYS 123 N 1.10 1.03 -0.19 1.57 3.64 -1.24 -1.92 116.57 120.56 3ibb h LYS 123 Ca 0.29 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3ibb h LYS 123 Cb -0.10 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 3ibb h LYS 123 CO -0.06 0.88 0.05 0.28 -2.27 0.00 0.00 179.45 178.33 3ibb h VAL 124 N 0.98 1.20 -0.46 2.00 2.07 -1.43 -1.79 116.25 118.82 3ibb h VAL 124 Ca 0.22 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 3ibb h VAL 124 Cb 0.25 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3ibb h VAL 124 CO -0.01 0.20 0.09 0.24 0.02 0.00 0.00 177.57 178.11 3ibb h MET 125 N 0.13 0.75 -0.51 1.57 2.86 -1.11 -2.74 114.93 115.88 3ibb h MET 125 Ca 0.06 -0.19 -0.06 0.00 -2.06 0.00 0.00 59.70 57.45 3ibb h MET 125 Cb 0.26 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 3ibb h MET 125 CO 0.00 0.75 0.08 -0.44 1.06 0.00 0.00 176.91 178.36 3ibb h ASP 126 N 0.62 0.75 -0.62 1.22 3.32 -1.45 -0.96 116.42 119.31 3ibb h ASP 126 Ca 0.14 -0.15 0.02 0.00 0.02 0.00 0.00 57.03 57.07 3ibb h ASP 126 Cb 0.35 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 3ibb h ASP 126 CO 0.01 0.77 0.39 0.15 -1.72 0.00 0.00 179.24 178.83 3ibb h PHE 127 N 0.76 0.72 -0.14 4.55 3.57 -1.26 0.35 116.94 125.49 3ibb h PHE 127 Ca 0.16 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 3ibb h PHE 127 Cb 0.35 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 3ibb h PHE 127 CO 0.02 0.42 -0.05 0.00 -2.23 0.00 0.00 178.31 176.47 3ibb h ALA 128 N 1.26 0.19 -0.75 2.41 0.00 -1.26 -0.71 119.26 120.40 3ibb h ALA 128 Ca 0.24 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3ibb h ALA 128 Cb -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3ibb h ALA 128 CO -0.09 -0.04 0.33 1.25 0.00 0.00 0.00 179.25 180.70 3ibb h LEU 129 N -0.04 1.00 0.42 0.00 6.46 -1.03 0.69 115.31 122.82 3ibb h LEU 129 Ca 0.03 -0.15 -0.02 0.00 -0.12 0.00 0.00 57.88 57.62 3ibb h LEU 129 Cb 0.49 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.16 3ibb h LEU 129 CO 0.02 0.88 -0.20 0.50 -0.62 0.00 0.00 178.44 179.01 3ibb h LYS 130 N 1.06 -0.55 -0.40 1.25 3.64 -0.96 -3.28 116.57 117.34 3ibb h LYS 130 Ca 0.25 0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.52 3ibb h LYS 130 Cb 0.16 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3ibb h LYS 130 CO -0.03 -0.28 -0.34 1.79 -2.27 0.00 0.00 179.45 178.32 3ibb h THR 131 N -0.74 1.27 -1.18 1.00 1.35 -1.14 -3.50 112.91 109.97 3ibb h THR 131 Ca -0.06 -1.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.29 3ibb h THR 131 Cb 0.52 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 3ibb h THR 131 CO 0.10 0.51 0.00 0.61 -0.25 0.00 0.00 175.52 176.48 3ibb n GLY 132 N 0.09 0.50 3.09 5.82 0.00 0.24 -5.07 105.19 109.86 3ibb n GLY 132 Ca -0.02 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.17 3.87 -0.22 0.00 0.02 -1.26 -4.64 135.00 130.60 3ibb s PRO 134 Ca -0.04 1.67 -0.03 0.00 0.02 0.00 0.00 61.00 62.61 3ibb s PRO 134 Cb -0.06 -2.42 -0.00 0.00 0.02 0.00 0.00 34.50 32.04 3ibb s PRO 134 CO -0.01 -0.43 -0.05 0.08 -0.33 0.00 0.00 177.00 176.25 3ibb s VAL 135 N -1.61 3.23 -0.33 3.83 1.01 -1.08 -1.15 120.40 124.30 3ibb s VAL 135 Ca 0.62 -0.57 -0.16 0.00 0.00 0.00 0.00 61.98 61.87 3ibb s VAL 135 Cb -0.26 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 3ibb s VAL 135 CO 0.31 0.41 0.39 -0.69 0.00 0.00 0.00 175.10 175.52 3ibb s VAL 136 N 1.45 5.14 -0.16 2.92 1.01 -0.96 -2.29 120.40 127.51 3ibb s VAL 136 Ca 0.05 0.19 -0.05 0.00 0.00 0.00 0.00 61.98 62.17 3ibb s VAL 136 Cb -0.14 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 3ibb s VAL 136 CO -0.04 -0.07 0.00 -0.83 0.00 0.00 0.00 175.10 174.16 3ibb s GLY 137 N 1.72 1.80 -0.19 4.51 0.00 -0.83 -3.01 107.32 111.32 3ibb s GLY 137 Ca 0.13 -0.79 -0.06 0.00 0.00 0.00 0.00 44.72 44.01 3ibb s GLY 137 CO 0.12 -0.03 0.02 -0.42 0.00 0.00 0.00 173.10 172.79 3ibb s ILE 138 N 0.33 4.31 -0.10 0.90 1.09 0.24 -1.15 121.20 126.83 3ibb s ILE 138 Ca -0.01 -0.20 0.04 0.00 -1.10 0.00 0.00 60.65 59.38 3ibb s ILE 138 Cb -0.13 -2.94 0.00 0.00 -1.06 0.00 0.00 42.46 38.32 3ibb s ILE 138 CO 0.02 0.44 -0.24 0.54 -0.10 0.00 0.00 174.94 175.60 3ibb s ASN 139 N 0.67 3.10 -0.08 3.58 4.22 -0.88 0.28 114.94 125.83 3ibb s ASN 139 Ca 0.01 -0.56 0.12 0.00 -2.14 0.00 0.00 52.86 50.29 3ibb s ASN 139 Cb -0.14 -1.42 0.19 0.00 1.28 0.00 0.00 41.25 41.16 3ibb s ASN 139 CO 0.02 0.15 1.08 -0.67 -2.04 0.00 0.00 177.10 175.64 3ibb n ASP 140 N 3.57 1.84 -4.69 3.54 2.03 -1.26 -1.63 116.55 119.95 3ibb n ASP 140 Ca -0.19 -2.66 -0.42 0.00 0.52 0.00 0.00 54.79 52.04 3ibb n ASP 140 Cb 0.53 -0.31 -0.03 0.00 -0.72 0.00 0.00 41.12 40.59 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 -2.17 6.51 0.22 1.67 0.15 -1.20 -4.25 113.70 114.63 3ibb s SER 141 Ca 0.21 2.63 -0.07 0.00 0.70 0.00 0.00 55.95 59.41 3ibb s SER 141 Cb 0.18 -2.56 0.18 0.00 -1.71 0.00 0.00 66.02 62.10 3ibb s SER 141 CO 0.02 -0.95 1.76 1.23 1.20 0.00 0.00 173.24 176.50 3ibb h GLY 142 N 8.58 1.21 0.00 9.45 0.00 0.24 -3.34 103.07 119.20 3ibb h GLY 142 Ca -0.44 -0.71 0.00 0.00 0.00 0.00 0.00 47.33 46.18 3ibb h GLY 142 CO 0.94 0.66 0.00 0.61 0.00 0.00 0.00 176.54 178.75 3ibb n GLY 143 N -0.79 -0.57 3.64 4.60 0.00 -1.26 -4.05 105.19 106.75 3ibb n GLY 143 Ca 0.06 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 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 3.57 0.14 4.61 0.00 -1.26 -2.92 121.76 124.91 3ibb s ALA 144 Ca 0.00 -0.86 -0.34 0.00 0.00 0.00 0.00 51.96 50.77 3ibb s ALA 144 Cb 0.00 -2.48 -0.13 0.00 0.00 0.00 0.00 23.12 20.51 3ibb s ALA 144 CO 0.00 -0.37 1.62 -2.13 0.00 0.00 0.00 175.76 174.88 3ibb n ARG 145 N 4.67 2.21 -0.21 0.00 0.63 -0.99 -4.76 116.66 118.22 3ibb n ARG 145 Ca -0.12 0.80 -0.08 0.00 -0.92 0.00 0.00 57.85 57.53 3ibb n ARG 145 Cb 0.52 -2.58 0.03 0.00 0.45 0.00 0.00 32.46 30.87 3ibb n ARG 145 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 3ibb h ILE 146 N 3.81 1.24 -0.69 5.15 5.03 -1.94 -3.32 117.51 126.79 3ibb h ILE 146 Ca -0.45 -0.80 -0.05 0.00 -0.12 0.00 0.00 64.86 63.44 3ibb h ILE 146 Cb 1.25 0.64 -0.03 0.00 -3.03 0.00 0.00 36.82 35.65 3ibb h ILE 146 CO 0.90 0.30 0.24 1.56 -0.68 0.00 0.00 178.15 180.47 3ibb h GLN 147 N 0.84 1.04 -0.57 2.37 7.50 -1.95 -2.95 115.11 121.38 3ibb h GLN 147 Ca 0.19 -0.20 0.01 0.00 0.50 0.00 0.00 58.65 59.16 3ibb h GLN 147 Cb 0.27 -0.16 -0.03 0.00 0.05 0.00 0.00 27.48 27.61 3ibb h GLN 147 CO -0.01 0.87 0.38 0.93 -1.50 0.00 0.00 178.83 179.50 3ibb h GLU 148 N 1.01 0.72 0.00 1.46 5.08 -1.92 -3.44 114.58 117.48 3ibb h GLU 148 Ca 0.23 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3ibb h GLU 148 Cb 0.25 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3ibb h GLU 148 CO -0.01 0.48 0.00 0.41 -1.00 0.00 0.00 179.01 178.88 3ibb n GLY 149 N -1.45 -1.62 0.00 -3.84 0.00 -1.12 -4.32 105.19 92.85 3ibb n GLY 149 Ca 0.06 -1.39 0.03 0.00 0.00 0.00 0.00 46.02 44.71 3ibb n GLY 149 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ibb n VAL 150 N 0.00 1.25 -0.23 1.61 0.24 -1.26 0.45 118.33 120.39 3ibb n VAL 150 Ca 0.00 0.31 0.02 0.00 -2.04 0.00 0.00 64.34 62.63 3ibb n VAL 150 Cb 0.00 -1.22 0.25 0.00 -1.47 0.00 0.00 33.84 31.40 3ibb n VAL 150 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ibb h ALA 151 N 2.23 1.49 -0.67 2.33 0.00 -1.97 0.81 119.26 123.47 3ibb h ALA 151 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3ibb h ALA 151 Cb 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3ibb h ALA 151 CO 0.00 0.45 0.36 1.03 0.00 0.00 0.00 179.25 181.09 3ibb h SER 152 N 1.01 0.84 -0.66 0.00 0.87 -0.30 -1.49 113.55 113.82 3ibb h SER 152 Ca 0.30 -0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.69 3ibb h SER 152 Cb -0.03 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.69 3ibb h SER 152 CO -0.08 0.70 0.16 -0.07 -0.53 0.00 0.00 176.83 177.02 3ibb h LEU 153 N 0.92 1.01 -0.59 2.23 3.38 0.41 -2.35 115.31 120.32 3ibb h LEU 153 Ca 0.23 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3ibb h LEU 153 Cb 0.06 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3ibb h LEU 153 CO -0.04 0.97 0.23 1.23 0.09 0.00 0.00 178.44 180.93 3ibb h GLY 154 N 1.07 0.94 1.53 0.83 0.00 -0.84 -3.17 103.07 103.43 3ibb h GLY 154 Ca 0.21 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 3ibb h GLY 154 CO 0.00 0.48 0.24 0.00 0.00 0.00 0.00 176.54 177.26 3ibb h ALA 155 N 1.08 1.57 -0.63 3.60 0.00 -0.77 0.22 119.26 124.33 3ibb h ALA 155 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ibb h ALA 155 Cb 0.20 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3ibb h ALA 155 CO -0.02 0.36 0.40 1.88 0.00 0.00 0.00 179.25 181.87 3ibb h TYR 156 N 0.62 0.80 -0.42 0.00 0.05 -1.42 -2.35 116.97 114.25 3ibb h TYR 156 Ca 0.16 0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.89 3ibb h TYR 156 Cb 0.04 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.49 3ibb h TYR 156 CO 0.00 0.52 0.01 0.78 -1.05 0.00 0.00 178.16 178.42 3ibb h GLY 157 N 0.85 0.73 0.91 3.88 0.00 -0.97 -1.02 103.07 107.45 3ibb h GLY 157 Ca 0.23 -0.45 0.02 0.00 0.00 0.00 0.00 47.33 47.13 3ibb h GLY 157 CO -0.05 0.42 0.46 0.83 0.00 0.00 0.00 176.54 178.21 3ibb h GLU 158 N 0.64 0.89 -0.56 4.80 4.39 -0.94 0.10 114.58 123.91 3ibb h GLU 158 Ca 0.13 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.72 3ibb h GLU 158 Cb 0.39 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 3ibb h GLU 158 CO 0.01 0.59 0.14 0.82 -1.16 0.00 0.00 179.01 179.41 3ibb h ILE 159 N 0.92 1.25 0.14 3.13 2.04 -1.09 -0.75 117.51 123.15 3ibb h ILE 159 Ca 0.28 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 3ibb h ILE 159 Cb -0.02 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3ibb h ILE 159 CO -0.09 0.32 -0.07 -0.26 0.00 0.00 0.00 178.15 178.05 3ibb h PHE 160 N 0.79 -0.17 -0.54 1.37 0.04 -0.47 0.90 116.94 118.86 3ibb h PHE 160 Ca 0.18 -0.00 0.06 0.00 2.80 0.00 0.00 57.97 61.00 3ibb h PHE 160 Cb 0.34 0.06 -0.05 0.00 2.20 0.00 0.00 35.95 38.50 3ibb h PHE 160 CO 0.02 -0.01 0.26 -0.09 -0.60 0.00 0.00 178.31 177.90 3ibb h ARG 161 N -0.30 0.48 -0.91 1.51 1.12 -0.88 -0.25 114.38 115.15 3ibb h ARG 161 Ca -0.02 -0.03 0.01 0.00 -1.11 0.00 0.00 59.98 58.83 3ibb h ARG 161 Cb 0.24 -0.11 -0.04 0.00 -0.01 0.00 0.00 29.97 30.05 3ibb h ARG 161 CO 0.03 0.32 0.59 0.00 -3.11 0.00 0.00 179.97 177.80 3ibb h ARG 162 N 0.49 1.20 -0.64 0.20 -0.00 -1.03 -2.93 114.38 111.67 3ibb h ARG 162 Ca 0.25 -0.08 -0.02 0.00 -0.50 0.00 0.00 59.98 59.63 3ibb h ARG 162 Cb 0.19 -0.27 -0.03 0.00 0.00 0.00 0.00 29.97 29.86 3ibb h ARG 162 CO -0.19 0.80 0.33 -0.91 0.00 0.00 0.00 179.97 180.00 3ibb h ASN 163 N 1.23 0.80 -0.11 7.04 -0.26 0.85 -1.23 115.58 123.90 3ibb h ASN 163 Ca 0.33 -0.07 -0.02 0.00 -0.56 0.00 0.00 56.30 55.98 3ibb h ASN 163 Cb -0.13 -0.20 -0.00 0.00 -1.06 0.00 0.00 38.32 36.93 3ibb h ASN 163 CO -0.07 0.66 -0.01 0.74 -1.06 0.00 0.00 177.43 177.69 3ibb h THR 164 N 0.89 1.27 -0.56 2.81 2.02 -1.25 -2.82 112.91 115.28 3ibb h THR 164 Ca 0.23 -0.88 -0.06 0.00 0.77 0.00 0.00 66.41 66.47 3ibb h THR 164 Cb 0.05 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 3ibb h THR 164 CO -0.03 0.25 0.11 0.45 0.37 0.00 0.00 175.52 176.66 3ibb h HIS 165 N -0.10 0.92 -0.50 3.16 3.86 -1.20 -2.33 115.15 118.95 3ibb h HIS 165 Ca 0.03 -0.10 -0.05 0.00 -1.16 0.00 0.00 60.37 59.09 3ibb h HIS 165 Cb 0.39 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.58 3ibb h HIS 165 CO 0.04 0.78 0.11 0.00 0.86 0.00 0.00 177.93 179.72 3ibb h ALA 166 N 1.27 0.66 -2.49 2.45 0.00 -1.41 -3.45 119.26 116.29 3ibb h ALA 166 Ca 0.18 -0.22 -0.54 0.00 0.00 0.00 0.00 54.91 54.32 3ibb h ALA 166 Cb 0.35 -0.19 0.06 0.00 0.00 0.00 0.00 17.79 18.00 3ibb h ALA 166 CO 0.00 0.37 0.96 0.45 0.00 0.00 0.00 179.25 181.04 3ibb n SER 167 N -4.44 3.70 0.00 0.00 2.88 -0.88 0.13 113.62 115.01 3ibb n SER 167 Ca 0.01 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 3ibb n SER 167 Cb 0.23 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.18 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 3.84 0.74 0.28 0.46 0.00 -1.26 -4.91 105.19 104.34 3ibb n GLY 168 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.00 1.28 -4.76 1.61 0.31 0.35 -4.64 118.33 110.48 3ibb n VAL 169 Ca 0.00 -0.30 -0.26 0.00 -0.01 0.00 0.00 64.34 63.77 3ibb n VAL 169 Cb 0.00 -1.83 -0.16 0.00 -0.91 0.00 0.00 33.84 30.93 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 -2.44 1.36 0.33 2.52 -4.36 -1.23 0.59 121.20 117.97 3ibb s ILE 170 Ca -0.32 -0.64 -0.29 0.00 -0.26 0.00 0.00 60.65 59.15 3ibb s ILE 170 Cb 0.12 -1.20 -0.10 0.00 1.25 0.00 0.00 42.46 42.53 3ibb s ILE 170 CO 0.40 0.40 1.31 -2.84 0.24 0.00 0.00 174.94 174.45 3ibb s PRO 171 N 0.37 4.35 -0.15 0.37 0.02 -1.26 -4.76 135.00 133.94 3ibb s PRO 171 Ca -0.11 2.22 0.01 0.00 0.02 0.00 0.00 61.00 63.14 3ibb s PRO 171 Cb -0.14 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.32 3ibb s PRO 171 CO 0.04 -0.20 -0.17 -0.65 -0.33 0.00 0.00 177.00 175.69 3ibb s GLN 172 N -1.81 3.14 -0.13 5.54 -0.21 -1.26 -2.63 119.66 122.31 3ibb s GLN 172 Ca 0.49 -0.78 0.02 0.00 0.02 0.00 0.00 55.36 55.11 3ibb s GLN 172 Cb -0.40 -2.57 -0.00 0.00 1.00 0.00 0.00 33.01 31.04 3ibb s GLN 172 CO 0.53 -0.01 -0.19 0.42 -2.12 0.00 0.00 175.29 173.91 3ibb s ILE 173 N 0.87 2.39 -0.27 1.08 1.01 -0.97 -1.66 121.20 123.65 3ibb s ILE 173 Ca -0.05 -0.88 -0.07 0.00 0.00 0.00 0.00 60.65 59.64 3ibb s ILE 173 Cb -0.15 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 3ibb s ILE 173 CO -0.02 0.54 0.08 -0.44 0.00 0.00 0.00 174.94 175.10 3ibb s SER 174 N 0.56 5.16 -0.32 3.58 0.01 0.49 -1.97 113.70 121.21 3ibb s SER 174 Ca -0.12 -0.37 -0.12 0.00 1.31 0.00 0.00 55.95 56.65 3ibb s SER 174 Cb -0.16 -1.92 -0.03 0.00 0.21 0.00 0.00 66.02 64.12 3ibb s SER 174 CO 0.04 -0.09 0.23 -0.22 0.41 0.00 0.00 173.24 173.60 3ibb s LEU 175 N 1.59 4.35 -0.26 2.44 1.98 -0.30 -0.38 118.68 128.10 3ibb s LEU 175 Ca 0.05 -0.28 -0.08 0.00 -2.89 0.00 0.00 54.13 50.94 3ibb s LEU 175 Cb -0.16 -2.14 -0.03 0.00 0.66 0.00 0.00 46.19 44.53 3ibb s LEU 175 CO 0.03 -0.18 0.08 -0.69 -1.89 0.00 0.00 176.35 173.71 3ibb s VAL 176 N 1.74 4.33 -0.22 1.68 1.01 -0.20 -2.08 120.40 126.66 3ibb s VAL 176 Ca 0.07 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.86 3ibb s VAL 176 Cb -0.17 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.16 3ibb s VAL 176 CO 0.11 0.30 0.39 1.33 0.00 0.00 0.00 175.10 177.23 3ibb n VAL 177 N 4.93 0.00 -4.08 2.92 0.24 -1.09 -3.25 118.33 117.99 3ibb n VAL 177 Ca -0.16 -0.48 -0.09 0.00 -2.04 0.00 0.00 64.34 61.57 3ibb n VAL 177 Cb 0.51 1.03 -0.10 0.00 -1.47 0.00 0.00 33.84 33.81 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 -0.57 0.50 0.26 7.63 0.00 -0.65 -4.15 107.32 110.35 3ibb s GLY 178 Ca 0.02 -1.06 -0.29 0.00 0.00 0.00 0.00 44.72 43.39 3ibb s GLY 178 CO 0.05 -1.16 0.97 -1.05 0.00 0.00 0.00 173.10 171.91 3ibb n PRO 179 N 0.54 1.16 -5.12 2.90 -0.02 -1.23 -3.90 135.00 129.33 3ibb n PRO 179 Ca -0.17 0.41 -0.30 0.00 -2.02 0.00 0.00 63.50 61.42 3ibb n PRO 179 Cb 0.59 -1.74 -0.17 0.00 -0.02 0.00 0.00 33.50 32.16 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 0.16 1.14 0.00 0.00 0.00 -1.26 -0.84 121.76 120.97 3ibb s ALA 181 Ca -0.11 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.84 3ibb s ALA 181 Cb -0.15 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.89 3ibb s ALA 181 CO 0.06 0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.36 3ibb n GLY 182 N 1.21 0.15 0.10 0.00 0.00 -1.02 -3.22 105.19 102.40 3ibb n GLY 182 Ca -0.21 -0.95 0.08 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.83 0.26 -0.02 0.00 -1.26 -2.07 105.19 101.28 3ibb n GLY 183 Ca 0.00 0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.22 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 2.08 1.87 -0.69 4.61 0.00 -1.91 0.43 119.26 125.65 3ibb h ALA 184 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3ibb h ALA 184 Cb 0.07 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3ibb h ALA 184 CO 0.00 0.03 0.22 -0.39 0.00 0.00 0.00 179.25 179.11 3ibb h VAL 185 N 0.00 1.25 -0.64 0.00 -1.51 -1.67 -2.94 116.25 110.75 3ibb h VAL 185 Ca -0.00 -0.86 -0.02 0.00 -1.23 0.00 0.00 66.70 64.58 3ibb h VAL 185 Cb 0.04 0.49 -0.03 0.00 -2.13 0.00 0.00 31.29 29.66 3ibb h VAL 185 CO 0.00 0.34 0.30 1.88 -1.23 0.00 0.00 177.57 178.86 3ibb h TYR 186 N 1.02 0.90 -0.52 5.19 0.05 -0.35 -2.45 116.97 120.82 3ibb h TYR 186 Ca 0.22 -0.04 -0.03 0.00 0.05 0.00 0.00 58.73 58.94 3ibb h TYR 186 Cb 0.28 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 3ibb h TYR 186 CO 0.02 0.67 0.19 1.03 -1.05 0.00 0.00 178.16 179.02 3ibb h SER 187 N 0.90 0.73 -0.23 3.88 0.87 -1.64 0.43 113.55 118.50 3ibb h SER 187 Ca 0.22 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.56 3ibb h SER 187 Cb 0.11 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 3ibb h SER 187 CO -0.03 0.72 0.05 -0.65 -0.53 0.00 0.00 176.83 176.39 3ibb h PRO 188 N 0.70 0.46 -0.77 2.24 0.11 -1.64 -2.44 132.00 130.65 3ibb h PRO 188 Ca 0.17 -0.07 0.01 0.00 0.11 0.00 0.00 66.00 66.22 3ibb h PRO 188 Cb 0.23 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.22 3ibb h PRO 188 CO -0.01 0.44 0.51 0.00 -0.21 0.00 0.00 178.00 178.73 3ibb h ALA 189 N 1.62 0.99 -0.73 -0.75 0.00 -0.49 0.34 119.26 120.24 3ibb h ALA 189 Ca 0.10 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3ibb h ALA 189 Cb 0.21 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3ibb h ALA 189 CO -0.00 0.38 0.19 0.82 0.00 0.00 0.00 179.25 180.64 3ibb h ILE 190 N 1.04 1.26 -4.03 0.00 2.04 -1.22 -3.46 117.51 113.14 3ibb h ILE 190 Ca 0.29 -0.96 -0.53 0.00 1.00 0.00 0.00 64.86 64.65 3ibb h ILE 190 Cb -0.10 0.50 0.11 0.00 -0.74 0.00 0.00 36.82 36.59 3ibb h ILE 190 CO -0.07 0.37 0.57 0.42 0.00 0.00 0.00 178.15 179.44 3ibb s THR 191 N -5.34 2.43 0.29 -0.27 -4.23 0.12 -4.89 115.64 103.75 3ibb s THR 191 Ca -0.12 0.32 -0.02 0.00 -1.18 0.00 0.00 61.69 60.69 3ibb s THR 191 Cb 0.15 -3.16 0.21 0.00 1.34 0.00 0.00 72.50 71.04 3ibb s THR 191 CO 0.85 -0.00 1.90 0.44 -0.54 0.00 0.00 174.62 177.27 3ibb h ASP 192 N 1.68 0.86 -4.35 3.99 3.32 -1.58 -3.41 116.42 116.94 3ibb h ASP 192 Ca -0.50 -0.08 -0.40 0.00 0.02 0.00 0.00 57.03 56.06 3ibb h ASP 192 Cb 1.28 -0.22 -0.25 0.00 0.22 0.00 0.00 39.33 40.36 3ibb h ASP 192 CO 0.58 0.72 -0.78 -0.36 -1.72 0.00 0.00 179.24 177.69 3ibb s PHE 193 N -5.58 1.05 -0.18 4.55 0.08 -0.86 -5.04 117.98 112.00 3ibb s PHE 193 Ca -0.11 -0.35 -0.01 0.00 0.12 0.00 0.00 56.93 56.59 3ibb s PHE 193 Cb 0.17 -0.63 -0.00 0.00 -0.57 0.00 0.00 43.02 41.99 3ibb s PHE 193 CO 0.80 0.01 -0.12 0.99 -0.10 0.00 0.00 175.22 176.80 3ibb s THR 194 N -0.85 2.85 -0.13 0.64 2.01 -1.26 -0.38 115.64 118.53 3ibb s THR 194 Ca -0.00 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.31 3ibb s THR 194 Cb -0.07 -2.24 -0.01 0.00 0.01 0.00 0.00 72.50 70.18 3ibb s THR 194 CO 0.01 0.49 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.59 3ibb s VAL 195 N 1.07 2.85 0.07 3.82 1.01 0.49 -2.07 120.40 127.63 3ibb s VAL 195 Ca -0.00 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.24 3ibb s VAL 195 Cb -0.15 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 3ibb s VAL 195 CO -0.03 0.53 -0.03 0.00 0.00 0.00 0.00 175.10 175.57 3ibb s MET 196 N 0.37 0.69 -0.06 2.72 0.23 -1.15 -1.03 119.30 121.06 3ibb s MET 196 Ca -0.12 -1.27 0.04 0.00 -1.03 0.00 0.00 55.69 53.31 3ibb s MET 196 Cb -0.16 0.10 -0.02 0.00 -1.53 0.00 0.00 34.83 33.22 3ibb s MET 196 CO 0.06 -0.10 -0.17 0.08 -2.03 0.00 0.00 175.02 172.87 3ibb s VAL 197 N -3.85 2.79 0.24 5.16 1.01 -1.20 -1.56 120.40 122.99 3ibb s VAL 197 Ca 0.09 -0.81 -0.31 0.00 0.00 0.00 0.00 61.98 60.96 3ibb s VAL 197 Cb 0.07 -2.09 -0.11 0.00 0.00 0.00 0.00 36.38 34.26 3ibb s VAL 197 CO -0.08 0.57 1.60 -0.62 0.00 0.00 0.00 175.10 176.57 3ibb s ASP 198 N -0.40 6.46 0.00 3.32 2.15 -1.21 -0.95 116.67 126.04 3ibb s ASP 198 Ca 0.04 2.82 0.00 0.00 0.43 0.00 0.00 52.55 55.84 3ibb s ASP 198 Cb -0.12 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 3ibb s ASP 198 CO 0.02 -0.88 0.00 0.00 -0.17 0.00 0.00 175.17 174.14 3ibb n GLN 199 N 3.01 0.00 -0.00 4.34 1.13 -1.26 -4.55 117.38 120.05 3ibb n GLN 199 Ca 0.11 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 55.17 3ibb n GLN 199 Cb 0.37 -1.83 -0.01 0.00 0.11 0.00 0.00 30.24 28.89 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 -2.00 0.02 -4.47 5.09 -1.04 -1.02 -5.03 114.28 105.83 3ibb n THR 200 Ca 0.00 -0.02 -0.33 0.00 -2.04 0.00 0.00 64.05 61.65 3ibb n THR 200 Cb 0.00 -0.30 -0.14 0.00 -1.82 0.00 0.00 70.33 68.07 3ibb n THR 200 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3ibb s SER 201 N -2.61 4.00 -0.07 8.00 0.01 -0.13 -4.06 113.70 118.84 3ibb s SER 201 Ca -0.00 -0.38 0.04 0.00 1.31 0.00 0.00 55.95 56.92 3ibb s SER 201 Cb 0.00 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.60 3ibb s SER 201 CO 0.03 0.10 -0.18 -1.00 0.41 0.00 0.00 173.24 172.59 3ibb s HIS 202 N 0.76 1.93 -0.04 2.43 3.76 -1.25 -3.00 115.29 119.88 3ibb s HIS 202 Ca -0.05 -0.68 0.03 0.00 -0.15 0.00 0.00 55.06 54.21 3ibb s HIS 202 Cb -0.15 -1.32 0.00 0.00 1.11 0.00 0.00 32.58 32.22 3ibb s HIS 202 CO 0.01 -0.28 -0.13 -1.64 -0.85 0.00 0.00 174.74 171.85 3ibb s MET 203 N 0.31 1.44 -0.23 1.40 -1.94 -0.74 0.35 119.30 119.88 3ibb s MET 203 Ca -0.12 -0.46 -0.17 0.00 -1.71 0.00 0.00 55.69 53.24 3ibb s MET 203 Cb -0.15 -1.27 0.06 0.00 2.01 0.00 0.00 34.83 35.48 3ibb s MET 203 CO 0.05 0.16 0.58 -0.59 -0.01 0.00 0.00 175.02 175.21 3ibb s PHE 204 N 0.19 -0.76 0.15 -0.03 -0.12 -0.02 -4.22 117.98 113.17 3ibb s PHE 204 Ca -0.05 1.68 -0.11 0.00 -0.05 0.00 0.00 56.93 58.40 3ibb s PHE 204 Cb -0.11 0.36 -0.00 0.00 -0.63 0.00 0.00 43.02 42.64 3ibb s PHE 204 CO 0.02 -0.38 1.55 0.97 -0.05 0.00 0.00 175.22 177.32 3ibb h ILE 205 N 4.75 1.27 -3.68 -4.49 6.09 -1.85 -2.70 117.51 116.90 3ibb h ILE 205 Ca -0.31 -1.32 -0.35 0.00 -1.37 0.00 0.00 64.86 61.52 3ibb h ILE 205 Cb 1.19 1.14 -0.31 0.00 0.47 0.00 0.00 36.82 39.31 3ibb h ILE 205 CO 0.18 0.45 -0.76 0.42 -3.07 0.00 0.00 178.15 175.38 3ibb s THR 206 N -4.72 0.36 0.73 2.19 -4.23 -1.26 -3.67 115.64 105.04 3ibb s THR 206 Ca -0.12 -0.11 -0.11 0.00 -1.18 0.00 0.00 61.69 60.18 3ibb s THR 206 Cb 0.12 -0.36 0.03 0.00 1.34 0.00 0.00 72.50 73.62 3ibb s THR 206 CO 0.86 0.14 1.08 -0.83 -0.54 0.00 0.00 174.62 175.33 3ibb s GLY 207 N 0.44 1.70 0.25 3.99 0.00 -1.26 -4.94 107.32 107.50 3ibb s GLY 207 Ca -0.05 0.19 -0.06 0.00 0.00 0.00 0.00 44.72 44.81 3ibb s GLY 207 CO -0.00 0.52 1.93 -2.55 0.00 0.00 0.00 173.10 172.99 3ibb h PRO 208 N -0.85 1.31 -0.72 2.90 0.11 -1.98 -2.76 132.00 130.01 3ibb h PRO 208 Ca -0.44 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 3ibb h PRO 208 Cb 1.22 -0.29 -0.03 0.00 0.11 0.00 0.00 31.00 32.00 3ibb h PRO 208 CO 0.54 0.86 0.30 -0.44 -0.21 0.00 0.00 178.00 179.05 3ibb h ASP 209 N 1.35 0.99 -0.70 -2.05 3.32 -1.95 -1.90 116.42 115.47 3ibb h ASP 209 Ca 0.37 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 57.18 3ibb h ASP 209 Cb -0.14 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.13 3ibb h ASP 209 CO -0.09 0.88 0.14 0.58 -1.72 0.00 0.00 179.24 179.04 3ibb h VAL 210 N 1.03 1.26 -0.88 -1.35 2.07 -1.88 -2.45 116.25 114.06 3ibb h VAL 210 Ca 0.24 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 3ibb h VAL 210 Cb 0.20 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 3ibb h VAL 210 CO -0.02 0.38 0.51 0.16 0.02 0.00 0.00 177.57 178.62 3ibb h ILE 211 N 1.07 1.25 -0.76 4.57 3.07 -1.38 0.46 117.51 125.80 3ibb h ILE 211 Ca 0.22 -0.58 -0.04 0.00 1.55 0.00 0.00 64.86 66.00 3ibb h ILE 211 Cb 0.41 0.04 -0.03 0.00 -0.27 0.00 0.00 36.82 36.96 3ibb h ILE 211 CO 0.01 0.27 0.31 0.11 -1.05 0.00 0.00 178.15 177.80 3ibb h LYS 212 N 1.22 1.13 -0.71 0.16 1.57 -1.43 2.54 116.57 121.06 3ibb h LYS 212 Ca 0.31 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 3ibb h LYS 212 Cb -0.01 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 3ibb h LYS 212 CO -0.05 0.92 0.30 1.15 -0.57 0.00 0.00 179.45 181.19 3ibb h THR 213 N 1.09 1.24 0.00 -0.16 2.02 -0.62 -1.38 112.91 115.11 3ibb h THR 213 Ca 0.25 -0.75 -0.33 0.00 0.77 0.00 0.00 66.41 66.36 3ibb h THR 213 Cb 0.21 0.42 -0.05 0.00 -1.74 0.00 0.00 68.15 66.98 3ibb h THR 213 CO -0.02 0.30 -1.81 1.33 0.37 0.00 0.00 175.52 175.69 3ibb n VAL 214 N -4.38 1.53 1.11 3.16 0.24 -0.01 -4.63 118.33 115.36 3ibb n VAL 214 Ca 0.06 -0.18 0.12 0.00 -2.04 0.00 0.00 64.34 62.30 3ibb n VAL 214 Cb 0.17 -1.98 0.19 0.00 -1.47 0.00 0.00 33.84 30.75 3ibb n VAL 214 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 3ibb n THR 215 N -4.36 0.00 -2.86 3.34 -1.04 0.85 -4.93 114.28 105.27 3ibb n THR 215 Ca -0.42 -0.13 -0.21 0.00 -2.04 0.00 0.00 64.05 61.26 3ibb n THR 215 Cb 0.77 0.68 0.01 0.00 -1.82 0.00 0.00 70.33 69.97 3ibb n THR 215 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ibb n GLY 216 N 1.41 -0.51 3.38 3.41 0.00 -0.52 -4.90 105.19 107.46 3ibb n GLY 216 Ca 0.09 0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 3ibb n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ibb s GLU 217 N -5.52 3.48 0.40 1.61 2.02 -1.24 -4.93 118.70 114.52 3ibb s GLU 217 Ca 0.21 -0.58 -0.27 0.00 0.02 0.00 0.00 54.97 54.36 3ibb s GLU 217 Cb -0.10 -3.22 -0.09 0.00 0.10 0.00 0.00 34.13 30.81 3ibb s GLU 217 CO 0.26 -0.23 1.36 0.34 0.02 0.00 0.00 175.26 177.02 3ibb s ASP 218 N 1.55 6.28 0.02 -0.19 2.15 -1.26 -3.13 116.67 122.09 3ibb s ASP 218 Ca 0.06 2.79 -0.02 0.00 0.43 0.00 0.00 52.55 55.81 3ibb s ASP 218 Cb -0.15 -2.65 -0.02 0.00 -0.30 0.00 0.00 42.92 39.81 3ibb s ASP 218 CO 0.01 -0.88 0.01 -0.69 -0.17 0.00 0.00 175.17 173.44 3ibb s VAL 219 N -1.21 0.11 0.45 1.11 1.01 -1.26 -5.04 120.40 115.57 3ibb s VAL 219 Ca 0.56 -0.89 -0.15 0.00 0.00 0.00 0.00 61.98 61.51 3ibb s VAL 219 Cb -0.41 -0.33 -0.08 0.00 0.00 0.00 0.00 36.38 35.56 3ibb s VAL 219 CO 0.53 -0.49 0.88 -0.83 0.00 0.00 0.00 175.10 175.20 3ibb s GLY 220 N -1.48 2.09 0.10 4.51 0.00 -1.26 -4.99 107.32 106.29 3ibb s GLY 220 Ca -0.15 0.07 -0.18 0.00 0.00 0.00 0.00 44.72 44.46 3ibb s GLY 220 CO -0.01 0.31 1.56 0.74 0.00 0.00 0.00 173.10 175.70 3ibb h PHE 221 N 1.29 0.53 -0.83 1.90 0.04 -2.02 -0.64 116.94 117.21 3ibb h PHE 221 Ca -0.47 -0.08 -0.03 0.00 2.80 0.00 0.00 57.97 60.19 3ibb h PHE 221 Cb 1.18 -0.14 -0.04 0.00 2.20 0.00 0.00 35.95 39.15 3ibb h PHE 221 CO 0.62 0.60 0.41 1.49 -0.60 0.00 0.00 178.31 180.84 3ibb h GLU 222 N 0.30 1.19 -0.01 1.51 4.57 -1.95 0.05 114.58 120.24 3ibb h GLU 222 Ca 0.09 -0.17 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 3ibb h GLU 222 Cb 0.37 -0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 28.74 3ibb h GLU 222 CO 0.01 0.91 0.00 1.49 -1.18 0.00 0.00 179.01 180.24 3ibb h GLU 223 N 1.18 0.02 -0.18 1.92 4.22 -1.90 0.38 114.58 120.22 3ibb h GLU 223 Ca 0.29 -0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.70 3ibb h GLU 223 Cb 0.10 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3ibb h GLU 223 CO -0.04 0.31 0.04 1.25 -2.18 0.00 0.00 179.01 178.39 3ibb h LEU 224 N -0.27 0.28 -0.42 1.64 5.85 -1.06 -3.41 115.31 117.92 3ibb h LEU 224 Ca 0.00 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3ibb h LEU 224 Cb 0.30 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3ibb h LEU 224 CO 0.00 0.45 0.00 0.61 -0.34 0.00 0.00 178.44 179.16 3ibb n GLY 225 N -0.50 -0.06 3.79 3.75 0.00 -0.03 -4.94 105.19 107.20 3ibb n GLY 225 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.26 1.66 0.21 -0.02 0.00 0.13 -1.80 107.32 107.24 3ibb s GLY 226 Ca 0.00 0.07 -0.08 0.00 0.00 0.00 0.00 44.72 44.70 3ibb s GLY 226 CO 0.00 0.42 1.80 0.00 0.00 0.00 0.00 173.10 175.32 3ibb h ALA 227 N -0.98 1.02 -0.78 3.20 0.00 -1.75 0.16 119.26 120.14 3ibb h ALA 227 Ca -0.45 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.25 3ibb h ALA 227 Cb 1.23 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3ibb h ALA 227 CO 0.55 0.60 0.31 -0.09 0.00 0.00 0.00 179.25 180.63 3ibb h ARG 228 N 1.12 1.16 -0.25 0.00 2.43 -1.91 -2.80 114.38 114.13 3ibb h ARG 228 Ca 0.27 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3ibb h ARG 228 Cb 0.14 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3ibb h ARG 228 CO -0.03 0.94 0.11 1.15 -1.51 0.00 0.00 179.97 180.63 3ibb h THR 229 N 1.12 1.16 -0.63 0.20 2.02 -0.91 -2.24 112.91 113.63 3ibb h THR 229 Ca 0.26 -0.48 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 3ibb h THR 229 Cb 0.21 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 3ibb h THR 229 CO -0.02 0.16 0.25 0.45 0.37 0.00 0.00 175.52 176.73 3ibb h HIS 230 N 0.26 0.96 -0.58 3.16 3.86 -1.51 0.00 115.15 121.31 3ibb h HIS 230 Ca 0.09 -0.07 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 3ibb h HIS 230 Cb 0.15 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.31 3ibb h HIS 230 CO -0.01 0.76 0.22 -0.97 0.86 0.00 0.00 177.93 178.79 3ibb h ASN 231 N 0.89 0.82 0.02 2.45 -1.24 -1.18 0.10 115.58 117.44 3ibb h ASN 231 Ca 0.21 -0.18 -0.37 0.00 0.71 0.00 0.00 56.30 56.67 3ibb h ASN 231 Cb 0.20 -0.21 -0.05 0.00 0.73 0.00 0.00 38.32 38.99 3ibb h ASN 231 CO -0.02 0.77 -2.10 -1.54 -1.29 0.00 0.00 177.43 173.26 3ibb n SER 232 N -4.46 1.96 -0.11 1.15 3.41 -0.88 -3.80 113.62 110.88 3ibb n SER 232 Ca 0.03 0.26 -0.24 0.00 -0.26 0.00 0.00 58.87 58.66 3ibb n SER 232 Cb 0.17 -0.79 -0.11 0.00 -0.26 0.00 0.00 64.21 63.22 3ibb n SER 232 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3ibb n THR 233 N -4.02 1.56 -0.21 6.66 -1.04 -0.05 -4.24 114.28 112.94 3ibb n THR 233 Ca -0.44 -0.36 -0.07 0.00 -2.04 0.00 0.00 64.05 61.14 3ibb n THR 233 Cb 0.87 -1.82 0.03 0.00 -1.82 0.00 0.00 70.33 67.60 3ibb n THR 233 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 3ibb h SER 234 N -0.66 0.77 -2.93 8.00 0.87 -1.44 -3.47 113.55 114.68 3ibb h SER 234 Ca -0.55 -0.11 -0.40 0.00 -1.23 0.00 0.00 61.79 59.50 3ibb h SER 234 Cb 1.65 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 63.38 3ibb h SER 234 CO -0.23 0.66 -0.50 0.61 -0.53 0.00 0.00 176.83 176.83 3ibb n GLY 235 N -0.99 -0.31 0.66 5.77 0.00 0.34 -4.86 105.19 105.80 3ibb n GLY 235 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.15 3ibb n GLY 235 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ibb n VAL 236 N -3.82 0.00 -3.94 1.61 0.24 -1.22 -4.98 118.33 106.22 3ibb n VAL 236 Ca -0.24 -0.44 -0.35 0.00 -2.04 0.00 0.00 64.34 61.27 3ibb n VAL 236 Cb 0.68 1.34 -0.13 0.00 -1.47 0.00 0.00 33.84 34.26 3ibb n VAL 236 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ibb s ALA 237 N -1.77 2.98 0.08 2.33 0.00 -1.22 -4.75 121.76 119.41 3ibb s ALA 237 Ca 0.20 -1.09 -0.20 0.00 0.00 0.00 0.00 51.96 50.87 3ibb s ALA 237 Cb 0.16 -1.82 -0.09 0.00 0.00 0.00 0.00 23.12 21.37 3ibb s ALA 237 CO 0.31 -0.33 1.59 0.45 0.00 0.00 0.00 175.76 177.78 3ibb h HIS 238 N 7.90 0.32 -3.96 0.00 3.86 -1.76 -3.41 115.15 118.10 3ibb h HIS 238 Ca -0.38 -0.03 -0.19 0.00 -1.16 0.00 0.00 60.37 58.60 3ibb h HIS 238 Cb 1.17 -0.09 -0.22 0.00 1.06 0.00 0.00 27.41 29.33 3ibb h HIS 238 CO 0.61 0.41 -0.71 -1.58 0.86 0.00 0.00 177.93 177.52 3ibb s HIS 239 N -5.36 0.30 -0.05 2.45 5.65 -1.06 0.19 115.29 117.41 3ibb s HIS 239 Ca -0.14 -0.48 0.04 0.00 0.25 0.00 0.00 55.06 54.73 3ibb s HIS 239 Cb 0.07 -0.20 -0.00 0.00 -1.18 0.00 0.00 32.58 31.26 3ibb s HIS 239 CO 0.71 -0.16 -0.17 1.41 -0.65 0.00 0.00 174.74 175.89 3ibb s MET 240 N -1.35 1.79 0.08 2.88 1.75 -1.26 -2.94 119.30 120.25 3ibb s MET 240 Ca -0.14 -0.59 0.10 0.00 -1.25 0.00 0.00 55.69 53.81 3ibb s MET 240 Cb -0.09 -1.54 -0.03 0.00 2.84 0.00 0.00 34.83 36.00 3ibb s MET 240 CO -0.01 0.22 -0.25 0.00 -0.65 0.00 0.00 175.02 174.33 3ibb s ALA 241 N 0.09 2.37 0.36 4.11 0.00 -0.60 -4.96 121.76 123.13 3ibb s ALA 241 Ca -0.05 -1.35 0.05 0.00 0.00 0.00 0.00 51.96 50.62 3ibb s ALA 241 Cb -0.12 -0.48 0.72 0.00 0.00 0.00 0.00 23.12 23.25 3ibb s ALA 241 CO 0.02 0.54 1.95 0.78 0.00 0.00 0.00 175.76 179.06 3ibb h GLY 242 N 4.32 0.99 -2.19 0.00 0.00 -1.92 -3.19 103.07 101.07 3ibb h GLY 242 Ca -0.49 -0.31 0.02 0.00 0.00 0.00 0.00 47.33 46.55 3ibb h GLY 242 CO 0.42 0.23 0.13 0.51 0.00 0.00 0.00 176.54 177.83 3ibb s ASP 243 N -6.18 -0.24 0.27 0.19 -4.77 -1.26 -4.62 116.67 100.05 3ibb s ASP 243 Ca -0.10 -0.63 -0.02 0.00 -3.30 0.00 0.00 52.55 48.50 3ibb s ASP 243 Cb 0.19 0.67 0.35 0.00 -1.09 0.00 0.00 42.92 43.05 3ibb s ASP 243 CO 0.77 -1.24 1.81 -0.33 0.70 0.00 0.00 175.17 176.88 3ibb h GLU 244 N 2.08 0.89 -0.63 2.11 5.08 -1.87 -0.05 114.58 122.18 3ibb h GLU 244 Ca -0.23 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 57.92 3ibb h GLU 244 Cb 1.26 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 3ibb h GLU 244 CO 0.28 0.79 0.26 1.57 -1.00 0.00 0.00 179.01 180.91 3ibb h LYS 245 N 0.85 0.92 -0.45 2.33 5.09 -1.99 -2.88 116.57 120.46 3ibb h LYS 245 Ca 0.19 -0.15 -0.01 0.00 0.09 0.00 0.00 60.65 60.77 3ibb h LYS 245 Cb 0.30 -0.16 -0.02 0.00 0.10 0.00 0.00 32.23 32.45 3ibb h LYS 245 CO -0.00 0.75 0.22 -0.44 -2.09 0.00 0.00 179.45 177.89 3ibb h ASP 246 N 0.91 0.58 -0.59 7.07 3.45 -1.72 -2.01 116.42 124.10 3ibb h ASP 246 Ca 0.22 -0.12 -0.05 0.00 0.43 0.00 0.00 57.03 57.51 3ibb h ASP 246 Cb 0.17 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.77 3ibb h ASP 246 CO -0.02 0.54 0.18 0.00 -1.57 0.00 0.00 179.24 178.36 3ibb h ALA 247 N 1.07 0.77 -0.75 3.45 0.00 -0.85 -1.63 119.26 121.33 3ibb h ALA 247 Ca 0.15 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3ibb h ALA 247 Cb 0.11 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3ibb h ALA 247 CO -0.02 0.45 0.26 0.28 0.00 0.00 0.00 179.25 180.22 3ibb h VAL 248 N 0.84 1.26 -0.78 0.00 2.07 -1.56 -3.04 116.25 115.03 3ibb h VAL 248 Ca 0.19 -0.86 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 3ibb h VAL 248 Cb 0.30 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 3ibb h VAL 248 CO -0.00 0.34 0.31 -0.08 0.02 0.00 0.00 177.57 178.16 3ibb h GLU 249 N 1.10 1.17 -0.78 1.57 4.57 -0.66 -0.62 114.58 120.94 3ibb h GLU 249 Ca 0.25 -0.21 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 3ibb h GLU 249 Cb 0.27 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.63 3ibb h GLU 249 CO -0.01 0.95 0.40 -0.92 -1.18 0.00 0.00 179.01 178.24 3ibb h TYR 250 N 1.14 1.08 -0.75 0.92 3.20 -1.39 -2.53 116.97 118.64 3ibb h TYR 250 Ca 0.26 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.06 3ibb h TYR 250 Cb 0.22 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 3ibb h TYR 250 CO 0.02 0.77 0.33 0.28 -1.64 0.00 0.00 178.16 177.92 3ibb h VAL 251 N 1.09 1.25 -0.43 1.81 2.07 -1.02 0.47 116.25 121.49 3ibb h VAL 251 Ca 0.27 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 3ibb h VAL 251 Cb 0.07 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 3ibb h VAL 251 CO -0.04 0.30 0.20 0.11 0.02 0.00 0.00 177.57 178.16 3ibb h LYS 252 N 1.06 0.63 -0.53 1.57 1.57 -1.20 -2.59 116.57 117.09 3ibb h LYS 252 Ca 0.25 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.88 3ibb h LYS 252 Cb 0.17 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3ibb h LYS 252 CO -0.03 0.55 0.10 1.96 -0.57 0.00 0.00 179.45 181.47 3ibb h GLN 253 N 0.56 0.86 -0.51 3.15 1.08 -0.98 -2.88 115.11 116.39 3ibb h GLN 253 Ca 0.15 -0.22 -0.03 0.00 -1.45 0.00 0.00 58.65 57.09 3ibb h GLN 253 Cb 0.14 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 3ibb h GLN 253 CO -0.02 0.84 0.19 1.25 -0.95 0.00 0.00 178.83 180.14 3ibb h LEU 254 N 0.75 0.72 -1.63 1.46 5.85 -0.06 -2.95 115.31 119.45 3ibb h LEU 254 Ca 0.16 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 3ibb h LEU 254 Cb 0.38 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3ibb h LEU 254 CO 0.01 0.71 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.70 3ibb h LEU 255 N 0.69 0.15 -1.70 2.25 3.38 -1.44 -2.05 115.31 116.60 3ibb h LEU 255 Ca 0.17 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.21 3ibb h LEU 255 Cb 0.22 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3ibb h LEU 255 CO -0.01 0.24 0.37 0.77 0.09 0.00 0.00 178.44 179.89 3ibb h SER 256 N 0.17 0.31 0.09 -0.43 4.64 -1.32 0.73 113.55 117.74 3ibb h SER 256 Ca 0.04 0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 61.18 3ibb h SER 256 Cb 0.20 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3ibb h SER 256 CO 0.01 0.19 -0.68 1.88 -0.87 0.00 0.00 176.83 177.36 3ibb h TYR 257 N 0.35 0.71 -3.74 4.77 0.05 -1.51 -3.42 116.97 114.18 3ibb h TYR 257 Ca 0.25 -0.29 -0.50 0.00 0.05 0.00 0.00 58.73 58.24 3ibb h TYR 257 Cb 0.53 -0.12 0.03 0.00 1.01 0.00 0.00 36.73 38.19 3ibb h TYR 257 CO -0.00 1.06 0.17 -0.51 -1.05 0.00 0.00 178.16 177.82 3ibb s LEU 258 N -8.19 3.61 0.53 3.88 1.43 0.25 -4.51 118.68 115.68 3ibb s LEU 258 Ca -0.07 1.06 -0.15 0.00 -1.03 0.00 0.00 54.13 53.94 3ibb s LEU 258 Cb 0.10 -4.02 -0.07 0.00 0.03 0.00 0.00 46.19 42.23 3ibb s LEU 258 CO 0.85 -0.58 0.98 -2.16 0.23 0.00 0.00 176.35 175.67 3ibb s PRO 259 N -4.59 3.88 0.22 1.29 0.04 -1.26 -3.97 135.00 130.60 3ibb s PRO 259 Ca 0.50 0.89 -0.07 0.00 0.04 0.00 0.00 61.00 62.35 3ibb s PRO 259 Cb -0.10 -2.14 0.17 0.00 0.04 0.00 0.00 34.50 32.47 3ibb s PRO 259 CO 0.43 -0.31 1.80 0.77 0.04 0.00 0.00 177.00 179.73 3ibb h SER 260 N 0.71 1.11 -5.07 6.66 0.02 -1.86 -3.43 113.55 111.69 3ibb h SER 260 Ca -0.46 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.33 3ibb h SER 260 Cb 1.19 -0.29 -0.09 0.00 0.14 0.00 0.00 62.40 63.35 3ibb h SER 260 CO 0.62 0.95 0.08 0.54 -1.14 0.00 0.00 176.83 177.88 3ibb s ASN 261 N -6.31 -0.28 0.40 3.07 2.20 -1.26 -3.98 114.94 108.78 3ibb s ASN 261 Ca -0.12 -0.50 0.07 0.00 -0.94 0.00 0.00 52.86 51.37 3ibb s ASN 261 Cb 0.16 0.62 0.83 0.00 -2.00 0.00 0.00 41.25 40.86 3ibb s ASN 261 CO 0.84 -1.12 2.03 -0.55 -2.94 0.00 0.00 177.10 175.36 3ibb h ASN 262 N 2.14 0.52 -0.76 3.54 -1.07 -0.11 0.10 115.58 119.93 3ibb h ASN 262 Ca -0.27 -0.01 -0.73 0.00 0.07 0.00 0.00 56.30 55.36 3ibb h ASN 262 Cb 1.26 -0.12 -0.09 0.00 -2.07 0.00 0.00 38.32 37.30 3ibb h ASN 262 CO 0.34 0.36 2.64 0.18 0.07 0.00 0.00 177.43 181.03 3ibb n LEU 263 N -4.47 7.19 -3.76 6.14 7.99 -1.26 -4.72 117.00 124.11 3ibb n LEU 263 Ca 0.06 -4.50 -0.08 0.00 -0.01 0.00 0.00 56.01 51.47 3ibb n LEU 263 Cb 0.12 -1.52 -0.02 0.00 -0.11 0.00 0.00 43.42 41.89 3ibb n LEU 263 CO 0.35 1.49 0.42 -0.94 -1.51 0.00 0.00 177.39 177.20 3ibb s SER 264 N 1.63 -0.31 0.67 -1.43 1.04 0.35 -4.98 113.70 110.66 3ibb s SER 264 Ca 0.48 -0.49 -0.12 0.00 0.48 0.00 0.00 55.95 56.29 3ibb s SER 264 Cb 0.13 0.68 -0.00 0.00 0.10 0.00 0.00 66.02 66.93 3ibb s SER 264 CO -0.05 -1.23 1.06 -1.61 0.98 0.00 0.00 173.24 172.40 3ibb s GLU 265 N -3.89 3.01 0.30 4.02 0.41 -1.26 -4.76 118.70 116.54 3ibb s GLU 265 Ca 0.09 1.06 -0.29 0.00 -0.41 0.00 0.00 54.97 55.42 3ibb s GLU 265 Cb -0.04 -2.00 -0.11 0.00 -1.78 0.00 0.00 34.13 30.21 3ibb s GLU 265 CO 0.02 -1.04 1.46 -1.25 -0.49 0.00 0.00 175.26 173.95 3ibb s PRO 266 N -4.69 4.21 0.22 0.39 0.04 -1.26 -4.57 135.00 129.35 3ibb s PRO 266 Ca 0.60 2.41 -0.31 0.00 0.04 0.00 0.00 61.00 63.74 3ibb s PRO 266 Cb -0.15 -3.05 -0.11 0.00 0.04 0.00 0.00 34.50 31.23 3ibb s PRO 266 CO 0.49 -0.45 1.63 -1.25 0.04 0.00 0.00 177.00 177.45 3ibb s PRO 267 N -1.08 4.16 0.02 0.56 0.04 -1.25 -4.77 135.00 132.67 3ibb s PRO 267 Ca 0.57 2.51 0.00 0.00 0.04 0.00 0.00 61.00 64.12 3ibb s PRO 267 Cb -0.44 -3.08 -0.02 0.00 0.04 0.00 0.00 34.50 31.00 3ibb s PRO 267 CO 0.51 -0.66 -0.04 0.00 0.04 0.00 0.00 177.00 176.86 3ibb s ALA 268 N 0.76 0.20 -0.36 8.56 0.00 -1.26 -4.50 121.76 125.15 3ibb s ALA 268 Ca 0.69 -0.52 -0.12 0.00 0.00 0.00 0.00 51.96 52.01 3ibb s ALA 268 Cb -0.47 0.10 0.01 0.00 0.00 0.00 0.00 23.12 22.75 3ibb s ALA 268 CO 0.37 -0.10 0.23 -0.06 0.00 0.00 0.00 175.76 176.20 3ibb s PHE 269 N -1.17 3.23 0.17 0.00 0.08 0.28 -4.95 117.98 115.61 3ibb s PHE 269 Ca -0.12 -0.60 -0.32 0.00 0.12 0.00 0.00 56.93 56.01 3ibb s PHE 269 Cb -0.08 -2.47 -0.11 0.00 -0.57 0.00 0.00 43.02 39.78 3ibb s PHE 269 CO -0.01 -0.52 1.72 -2.14 -0.10 0.00 0.00 175.22 174.17 3ibb s PRO 270 N 1.64 4.14 -0.01 0.24 0.02 -1.26 -3.95 135.00 135.83 3ibb s PRO 270 Ca 0.04 2.55 0.04 0.00 0.02 0.00 0.00 61.00 63.65 3ibb s PRO 270 Cb -0.18 -3.23 -0.01 0.00 0.02 0.00 0.00 34.50 31.09 3ibb s PRO 270 CO 0.08 -0.75 -0.12 -1.83 -0.33 0.00 0.00 177.00 174.06 3ibb s GLU 271 N 1.61 0.94 0.29 5.54 -1.05 -1.22 -4.94 118.70 119.86 3ibb s GLU 271 Ca 0.75 -0.44 -0.29 0.00 -0.15 0.00 0.00 54.97 54.85 3ibb s GLU 271 Cb -0.47 -0.91 -0.10 0.00 -0.44 0.00 0.00 34.13 32.21 3ibb s GLU 271 CO 0.33 0.25 1.38 -1.21 0.95 0.00 0.00 175.26 176.95 3ibb s GLU 272 N -0.33 4.30 0.63 -4.83 0.41 -1.26 -4.55 118.70 113.07 3ibb s GLU 272 Ca 0.04 2.27 -0.09 0.00 -0.41 0.00 0.00 54.97 56.78 3ibb s GLU 272 Cb -0.05 -3.09 -0.00 0.00 -1.78 0.00 0.00 34.13 29.21 3ibb s GLU 272 CO -0.00 -0.32 0.98 0.00 -0.49 0.00 0.00 175.26 175.43 3ibb s ALA 273 N -0.58 3.12 -0.26 5.21 0.00 -1.26 -5.00 121.76 122.99 3ibb s ALA 273 Ca 0.54 -0.43 -0.17 0.00 0.00 0.00 0.00 51.96 51.90 3ibb s ALA 273 Cb -0.41 -2.85 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 3ibb s ALA 273 CO 0.49 -0.85 0.46 0.34 0.00 0.00 0.00 175.76 176.19 3ibb s ASP 274 N -4.28 6.37 0.22 0.00 3.68 -1.26 -4.92 116.67 116.48 3ibb s ASP 274 Ca 0.55 0.44 -0.08 0.00 2.13 0.00 0.00 52.55 55.58 3ibb s ASP 274 Cb -0.11 -2.25 0.17 0.00 -1.45 0.00 0.00 42.92 39.28 3ibb s ASP 274 CO 0.49 -0.24 1.83 0.17 0.13 0.00 0.00 175.17 177.56 3ibb h LEU 275 N 8.64 1.02-10.09 -1.34 -0.00 -1.98 -3.47 115.31 108.09 3ibb h LEU 275 Ca -0.30 -0.11 -0.53 0.00 -0.00 0.00 0.00 57.88 56.94 3ibb h LEU 275 Cb 1.15 -0.26 0.11 0.00 -0.00 0.00 0.00 40.66 41.66 3ibb h LEU 275 CO 0.69 0.84 0.48 0.00 -0.00 0.00 0.00 178.44 180.44 3ibb s ALA 276 N -5.82 2.58 -0.91 0.17 0.00 -1.26 -4.80 121.76 111.72 3ibb s ALA 276 Ca -0.13 1.02 -0.23 0.00 0.00 0.00 0.00 51.96 52.62 3ibb s ALA 276 Cb 0.16 -3.45 0.06 0.00 0.00 0.00 0.00 23.12 19.89 3ibb s ALA 276 CO 0.82 -1.14 1.31 0.08 0.00 0.00 0.00 175.76 176.83 3ibb s VAL 277 N -1.58 4.05 0.68 0.00 1.01 -1.26 -4.92 120.40 118.37 3ibb s VAL 277 Ca 0.77 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 62.03 3ibb s VAL 277 Cb -0.30 -4.94 0.00 0.00 0.00 0.00 0.00 36.38 31.13 3ibb s VAL 277 CO 0.33 -1.80 1.06 0.42 0.00 0.00 0.00 175.10 175.11 3ibb s THR 278 N 4.67 3.97 0.23 3.92 -4.23 -1.26 -4.81 115.64 118.13 3ibb s THR 278 Ca 0.39 0.69 -0.07 0.00 -1.18 0.00 0.00 61.69 61.52 3ibb s THR 278 Cb -0.04 -3.38 0.20 0.00 1.34 0.00 0.00 72.50 70.61 3ibb s THR 278 CO -0.02 -0.79 1.85 -0.78 -0.54 0.00 0.00 174.62 174.34 3ibb h ASP 279 N -0.51 1.11 -0.01 3.99 3.58 -2.02 4.18 116.42 126.73 3ibb h ASP 279 Ca -0.44 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 56.90 3ibb h ASP 279 Cb 1.21 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.98 3ibb h ASP 279 CO 0.57 0.89 0.01 1.05 -2.88 0.00 0.00 179.24 178.88 3ibb h GLU 280 N 1.24 0.03 -1.01 0.28 9.09 -2.01 -2.74 114.58 119.45 3ibb h GLU 280 Ca 0.31 -0.00 0.04 0.00 0.05 0.00 0.00 59.36 59.76 3ibb h GLU 280 Cb 0.03 -0.01 -0.06 0.00 -1.65 0.00 0.00 28.75 27.07 3ibb h GLU 280 CO -0.05 0.02 0.66 -0.44 0.05 0.00 0.00 179.01 179.25 3ibb h ASP 281 N 0.03 1.09 0.59 3.06 3.45 0.78 0.66 116.42 126.08 3ibb h ASP 281 Ca 0.01 -0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.46 3ibb h ASP 281 Cb 0.01 -0.25 -0.00 0.00 -0.56 0.00 0.00 39.33 38.53 3ibb h ASP 281 CO -0.00 0.74 -0.01 0.00 -1.57 0.00 0.00 179.24 178.40 3ibb h ALA 282 N 1.42 1.01 0.00 3.45 0.00 -1.45 -2.79 119.26 120.90 3ibb h ALA 282 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3ibb h ALA 282 Cb 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3ibb h ALA 282 CO -0.13 0.01 0.05 0.39 0.00 0.00 0.00 179.25 179.56 3ibb n GLU 283 N -3.11 0.10 -0.16 0.00 1.02 0.23 0.18 120.64 118.90 3ibb n GLU 283 Ca -0.01 0.59 -0.07 0.00 -0.02 0.00 0.00 57.16 57.64 3ibb n GLU 283 Cb 0.21 -1.88 0.08 0.00 -0.02 0.00 0.00 31.44 29.83 3ibb n GLU 283 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3ibb h LEU 284 N 0.00 0.92 -1.39 -4.62 4.07 -1.64 -3.10 115.31 109.55 3ibb h LEU 284 Ca 0.00 -0.26 -0.03 0.00 0.08 0.00 0.00 57.88 57.67 3ibb h LEU 284 Cb 0.10 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.57 3ibb h LEU 284 CO 0.00 1.00 0.10 0.44 -1.08 0.00 0.00 178.44 178.91 3ibb h ASP 285 N 0.86 0.47 -0.01 -0.43 3.32 0.16 -2.78 116.42 118.00 3ibb h ASP 285 Ca 0.15 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3ibb h ASP 285 Cb 0.57 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3ibb h ASP 285 CO 0.03 0.46 -0.47 0.35 -1.72 0.00 0.00 179.24 177.89 3ibb n THR 286 N -4.36 0.00 -0.24 0.35 -2.24 -1.22 -4.34 114.28 102.23 3ibb n THR 286 Ca 0.02 -0.27 -0.07 0.00 -2.27 0.00 0.00 64.05 61.47 3ibb n THR 286 Cb 0.17 1.24 0.04 0.00 -2.10 0.00 0.00 70.33 69.68 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 2.30 1.23 -2.96 2.28 6.09 -1.42 -3.41 117.51 121.63 3ibb h ILE 287 Ca 0.00 -0.69 -0.52 0.00 -1.37 0.00 0.00 64.86 62.27 3ibb h ILE 287 Cb 0.72 0.47 0.05 0.00 0.47 0.00 0.00 36.82 38.53 3ibb h ILE 287 CO 0.00 0.28 0.86 -0.69 -3.07 0.00 0.00 178.15 175.53 3ibb s VAL 288 N -5.62 2.55 0.44 2.19 1.01 -1.26 -4.92 120.40 114.79 3ibb s VAL 288 Ca -0.13 0.41 -0.20 0.00 0.00 0.00 0.00 61.98 62.07 3ibb s VAL 288 Cb 0.14 -3.26 -0.10 0.00 0.00 0.00 0.00 36.38 33.15 3ibb s VAL 288 CO 0.80 0.04 0.93 -2.16 0.00 0.00 0.00 175.10 174.72 3ibb s PRO 289 N 0.73 4.15 0.12 2.72 0.04 -1.26 -5.02 135.00 136.48 3ibb s PRO 289 Ca 0.68 1.04 -0.16 0.00 0.04 0.00 0.00 61.00 62.60 3ibb s PRO 289 Cb -0.44 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 31.88 3ibb s PRO 289 CO 0.35 -0.06 1.59 -0.44 0.04 0.00 0.00 177.00 178.48 3ibb h ASP 290 N 1.75 0.61 -4.21 6.66 3.32 -1.96 -3.44 116.42 119.16 3ibb h ASP 290 Ca -0.48 -0.27 -0.48 0.00 0.02 0.00 0.00 57.03 55.81 3ibb h ASP 290 Cb 1.18 -0.16 0.02 0.00 0.22 0.00 0.00 39.33 40.59 3ibb h ASP 290 CO 0.61 0.73 0.38 -0.44 -1.72 0.00 0.00 179.24 178.80 3ibb s SER 291 N -6.07 6.55 0.02 6.45 0.01 -1.26 -5.02 113.70 114.39 3ibb s SER 291 Ca -0.13 1.53 0.22 0.00 1.31 0.00 0.00 55.95 58.88 3ibb s SER 291 Cb 0.10 -2.50 -0.22 0.00 0.21 0.00 0.00 66.02 63.61 3ibb s SER 291 CO 0.77 -0.63 0.70 0.00 0.41 0.00 0.00 173.24 174.49 3ibb n ALA 292 N -1.78 3.12 -0.12 1.44 0.00 -1.26 -3.97 120.51 117.95 3ibb n ALA 292 Ca 0.06 -0.47 -0.13 0.00 0.00 0.00 0.00 53.44 52.90 3ibb n ALA 292 Cb 0.54 -0.84 -0.02 0.00 0.00 0.00 0.00 19.45 19.13 3ibb n ALA 292 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3ibb h ASN 293 N 0.00 1.00 -3.75 0.00 4.21 -1.96 -3.47 115.58 111.61 3ibb h ASN 293 Ca 0.00 -0.47 -0.53 0.00 1.21 0.00 0.00 56.30 56.51 3ibb h ASN 293 Cb 0.89 -0.28 0.08 0.00 -1.12 0.00 0.00 38.32 37.89 3ibb h ASN 293 CO 0.00 1.27 0.74 -1.58 -1.29 0.00 0.00 177.43 176.56 3ibb s GLN 294 N -4.37 4.23 -0.04 0.81 0.74 -1.25 -5.02 119.66 114.76 3ibb s GLN 294 Ca -0.11 2.39 -0.02 0.00 0.05 0.00 0.00 55.36 57.67 3ibb s GLN 294 Cb 0.11 -3.04 -0.04 0.00 1.10 0.00 0.00 33.01 31.14 3ibb s GLN 294 CO 0.88 -0.40 0.08 -1.25 -0.55 0.00 0.00 175.29 174.06 3ibb s PRO 295 N -1.49 3.13 0.02 1.67 0.04 -1.26 -4.89 135.00 132.22 3ibb s PRO 295 Ca 0.54 -0.40 0.01 0.00 0.04 0.00 0.00 61.00 61.19 3ibb s PRO 295 Cb -0.43 -2.92 -0.01 0.00 0.04 0.00 0.00 34.50 31.18 3ibb s PRO 295 CO 0.54 0.68 -0.05 1.52 0.04 0.00 0.00 177.00 179.73 3ibb s TYR 296 N -1.12 0.42 0.16 0.56 1.13 -1.26 -4.96 117.35 112.28 3ibb s TYR 296 Ca 0.20 -0.31 -0.31 0.00 -1.41 0.00 0.00 57.07 55.25 3ibb s TYR 296 Cb -0.12 -0.26 -0.09 0.00 -1.10 0.00 0.00 41.96 40.39 3ibb s TYR 296 CO 0.10 -0.07 1.41 0.34 -2.51 0.00 0.00 175.55 174.83 3ibb s ASP 297 N -0.88 6.78 0.22 -0.18 2.15 -1.26 -4.32 116.67 119.18 3ibb s ASP 297 Ca -0.06 2.43 -0.06 0.00 0.43 0.00 0.00 52.55 55.29 3ibb s ASP 297 Cb -0.06 -2.60 0.20 0.00 -0.30 0.00 0.00 42.92 40.16 3ibb s ASP 297 CO -0.00 -0.66 1.72 -0.03 -0.17 0.00 0.00 175.17 176.02 3ibb h MET 298 N 6.31 0.98 -0.38 4.34 4.05 -1.93 -3.37 114.93 124.94 3ibb h MET 298 Ca -0.43 -0.26 -0.02 0.00 -0.28 0.00 0.00 59.70 58.71 3ibb h MET 298 Cb 1.21 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.88 3ibb h MET 298 CO 0.85 0.93 0.17 0.45 0.23 0.00 0.00 176.91 179.53 3ibb h HIS 299 N 0.92 0.52 -0.87 1.39 3.86 -1.93 0.50 115.15 119.54 3ibb h HIS 299 Ca 0.18 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.36 3ibb h HIS 299 Cb 0.45 -0.17 -0.04 0.00 1.06 0.00 0.00 27.41 28.71 3ibb h HIS 299 CO 0.03 0.40 0.47 0.77 0.86 0.00 0.00 177.93 180.46 3ibb h SER 300 N 0.53 1.09 -0.52 2.45 0.02 -1.98 -0.13 113.55 115.01 3ibb h SER 300 Ca 0.13 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 3ibb h SER 300 Cb 0.08 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 3ibb h SER 300 CO -0.02 0.88 0.15 0.58 -1.14 0.00 0.00 176.83 177.29 3ibb h VAL 301 N 1.22 1.23 -0.68 2.27 2.07 -0.19 -1.61 116.25 120.56 3ibb h VAL 301 Ca 0.30 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 3ibb h VAL 301 Cb 0.04 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3ibb h VAL 301 CO -0.05 0.29 0.25 0.40 0.02 0.00 0.00 177.57 178.49 3ibb h ILE 302 N 0.72 1.24 -0.50 4.57 2.04 -1.35 -3.07 117.51 121.15 3ibb h ILE 302 Ca 0.17 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 3ibb h ILE 302 Cb 0.29 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 3ibb h ILE 302 CO -0.00 0.31 0.28 -0.08 0.00 0.00 0.00 178.15 178.66 3ibb h GLU 303 N 0.99 0.68 0.00 2.37 4.81 -0.67 -1.71 114.58 121.05 3ibb h GLU 303 Ca 0.23 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3ibb h GLU 303 Cb 0.22 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.46 3ibb h GLU 303 CO -0.02 0.52 0.00 0.72 -0.73 0.00 0.00 179.01 179.51 3ibb n HIS 304 N -4.67 0.00 -0.95 0.92 8.25 -0.64 -3.13 115.22 115.00 3ibb n HIS 304 Ca 0.02 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.49 3ibb n HIS 304 Cb 0.07 -0.38 0.01 0.00 1.12 0.00 0.00 29.99 30.81 3ibb n HIS 304 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3ibb n VAL 305 N -1.38 0.37 -5.01 1.59 0.31 -0.66 -4.80 118.33 108.75 3ibb n VAL 305 Ca 0.01 -0.40 -0.32 0.00 -0.01 0.00 0.00 64.34 63.61 3ibb n VAL 305 Cb 0.03 0.70 -0.15 0.00 -0.91 0.00 0.00 33.84 33.51 3ibb n VAL 305 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3ibb s LEU 306 N -0.45 2.43 0.27 7.52 1.43 -1.08 -4.80 118.68 124.00 3ibb s LEU 306 Ca 0.02 -0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 52.43 3ibb s LEU 306 Cb 0.02 -1.50 -0.13 0.00 0.03 0.00 0.00 46.19 44.62 3ibb s LEU 306 CO 0.00 0.23 1.45 0.47 0.23 0.00 0.00 176.35 178.72 3ibb n ASP 307 N 3.10 3.09 0.00 2.29 8.00 0.69 0.15 116.55 133.87 3ibb n ASP 307 Ca -0.18 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.48 3ibb n ASP 307 Cb 0.52 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.14 3ibb n ASP 307 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3ibb n ASP 308 N 1.93 -2.81 -3.46 -2.24 8.00 -1.26 -3.82 116.55 112.90 3ibb n ASP 308 Ca 0.10 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.37 3ibb n ASP 308 Cb 0.34 -0.47 0.08 0.00 -0.02 0.00 0.00 41.12 41.05 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 0.90 -1.33 -3.21 2.24 0.00 0.41 -4.96 120.51 114.56 3ibb n ALA 309 Ca 0.00 0.35 -0.33 0.00 0.00 0.00 0.00 53.44 53.46 3ibb n ALA 309 Cb 0.00 -5.03 -0.15 0.00 0.00 0.00 0.00 19.45 14.27 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 -6.17 3.32 -0.12 0.00 2.12 -1.22 -4.88 118.70 111.75 3ibb s GLU 310 Ca 0.51 -0.71 0.01 0.00 0.36 0.00 0.00 54.97 55.14 3ibb s GLU 310 Cb -0.22 -2.62 0.02 0.00 0.26 0.00 0.00 34.13 31.56 3ibb s GLU 310 CO 0.70 0.14 -0.15 0.12 -0.54 0.00 0.00 175.26 175.53 3ibb s PHE 311 N 0.53 2.01 -0.59 5.30 5.36 -1.26 -4.72 117.98 124.60 3ibb s PHE 311 Ca -0.09 -0.98 -0.19 0.00 -0.96 0.00 0.00 56.93 54.71 3ibb s PHE 311 Cb -0.16 -1.46 0.10 0.00 -0.34 0.00 0.00 43.02 41.17 3ibb s PHE 311 CO 0.04 -0.51 0.69 0.12 -1.46 0.00 0.00 175.22 174.10 3ibb s PHE 312 N 1.09 3.01 0.42 10.12 5.36 -1.26 -5.06 117.98 131.66 3ibb s PHE 312 Ca -0.04 -0.97 -0.24 0.00 -0.96 0.00 0.00 56.93 54.72 3ibb s PHE 312 Cb -0.14 -3.99 -0.08 0.00 -0.34 0.00 0.00 43.02 38.46 3ibb s PHE 312 CO -0.03 -1.28 1.12 -1.21 -1.46 0.00 0.00 175.22 172.36 3ibb s GLU 313 N 2.63 4.00 -0.05 10.12 0.41 -1.26 -3.74 118.70 130.81 3ibb s GLU 313 Ca 0.11 1.69 0.04 0.00 -0.41 0.00 0.00 54.97 56.40 3ibb s GLU 313 Cb -0.24 -2.54 0.00 0.00 -1.78 0.00 0.00 34.13 29.57 3ibb s GLU 313 CO 0.06 -0.33 -0.16 0.95 -0.49 0.00 0.00 175.26 175.29 3ibb s THR 314 N -1.55 1.38 -1.32 3.63 -4.23 -0.32 -4.83 115.64 108.40 3ibb s THR 314 Ca 0.59 -0.67 -0.06 0.00 -1.18 0.00 0.00 61.69 60.37 3ibb s THR 314 Cb -0.27 -1.20 0.01 0.00 1.34 0.00 0.00 72.50 72.39 3ibb s THR 314 CO 0.33 0.40 1.08 0.00 -0.54 0.00 0.00 174.62 175.89 3ibb n GLN 315 N 3.29 -7.12 -0.17 3.99 6.02 0.51 -4.41 117.38 119.49 3ibb n GLN 315 Ca -0.19 0.80 0.04 0.00 -0.01 0.00 0.00 57.00 57.64 3ibb n GLN 315 Cb 0.53 -5.80 0.32 0.00 1.02 0.00 0.00 30.24 26.31 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 -2.34 0.80 -0.62 -1.09 0.11 -1.88 0.05 132.00 127.02 3ibb h PRO 316 Ca -0.58 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.44 3ibb h PRO 316 Cb 1.36 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 3ibb h PRO 316 CO 0.55 0.53 0.22 -0.07 -0.21 0.00 0.00 178.00 179.02 3ibb h LEU 317 N 0.82 0.86 -9.07 2.35 3.38 -1.89 -3.40 115.31 108.36 3ibb h LEU 317 Ca 0.28 -0.13 -0.62 0.00 0.09 0.00 0.00 57.88 57.50 3ibb h LEU 317 Cb 0.08 -0.22 -0.14 0.00 0.09 0.00 0.00 40.66 40.47 3ibb h LEU 317 CO -0.08 0.79 -0.48 0.12 0.09 0.00 0.00 178.44 178.87 3ibb s PHE 318 N -5.37 3.31 -0.62 1.13 5.36 0.00 -4.15 117.98 117.63 3ibb s PHE 318 Ca -0.10 0.25 -0.11 0.00 -0.96 0.00 0.00 56.93 56.00 3ibb s PHE 318 Cb 0.16 -2.30 0.02 0.00 -0.34 0.00 0.00 43.02 40.56 3ibb s PHE 318 CO 0.81 0.04 0.65 0.00 -1.46 0.00 0.00 175.22 175.26 3ibb n ALA 319 N 4.36 -2.68 0.19 11.12 0.00 -1.26 -4.79 120.51 127.46 3ibb n ALA 319 Ca -0.14 0.33 0.12 0.00 0.00 0.00 0.00 53.44 53.74 3ibb n ALA 319 Cb 0.52 -2.10 0.62 0.00 0.00 0.00 0.00 19.45 18.49 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 1.00 0.00 -0.99 0.00 0.11 -1.77 -1.90 132.00 128.45 3ibb h PRO 320 Ca -0.23 0.00 0.30 0.00 0.11 0.00 0.00 66.00 66.18 3ibb h PRO 320 Cb 1.15 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.12 3ibb h PRO 320 CO 0.27 0.00 0.54 -0.91 -0.21 0.00 0.00 178.00 177.70 3ibb h ASN 321 N 0.00 0.50 -4.21 -2.05 2.35 -1.87 -3.39 115.58 106.92 3ibb h ASN 321 Ca 0.00 0.18 -0.35 0.00 -0.55 0.00 0.00 56.30 55.58 3ibb h ASN 321 Cb 0.13 0.13 -0.26 0.00 0.05 0.00 0.00 38.32 38.37 3ibb h ASN 321 CO 0.00 -0.09 -0.76 -0.63 -1.65 0.00 0.00 177.43 174.29 3ibb s ILE 322 N -5.71 0.65 -0.07 2.81 1.01 -0.71 -0.86 121.20 118.32 3ibb s ILE 322 Ca -0.10 -0.60 -0.20 0.00 0.00 0.00 0.00 60.65 59.75 3ibb s ILE 322 Cb 0.29 -0.60 -0.04 0.00 0.01 0.00 0.00 42.46 42.12 3ibb s ILE 322 CO 0.79 0.01 0.56 -0.76 0.00 0.00 0.00 174.94 175.54 3ibb s LEU 323 N -0.66 4.33 -0.09 2.97 1.43 -0.20 -4.91 118.68 121.56 3ibb s LEU 323 Ca -0.00 1.01 0.01 0.00 -1.03 0.00 0.00 54.13 54.12 3ibb s LEU 323 Cb -0.05 -2.85 0.02 0.00 0.03 0.00 0.00 46.19 43.34 3ibb s LEU 323 CO 0.00 0.01 -0.12 0.42 0.23 0.00 0.00 176.35 176.90 3ibb s THR 324 N 0.37 1.19 0.12 5.49 -4.23 -1.26 -2.36 115.64 114.97 3ibb s THR 324 Ca 0.30 -0.47 -0.03 0.00 -1.18 0.00 0.00 61.69 60.31 3ibb s THR 324 Cb -0.17 -1.12 0.01 0.00 1.34 0.00 0.00 72.50 72.57 3ibb s THR 324 CO 0.14 0.38 0.20 0.61 -0.54 0.00 0.00 174.62 175.41 3ibb n GLY 325 N 4.17 2.17 3.07 3.99 0.00 0.13 -1.18 105.19 117.54 3ibb n GLY 325 Ca -0.20 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.46 3ibb n GLY 325 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ibb s PHE 326 N -5.83 -0.32 0.17 1.61 -0.00 -1.23 0.27 117.98 112.65 3ibb s PHE 326 Ca 0.07 0.78 0.07 0.00 -0.00 0.00 0.00 56.93 57.85 3ibb s PHE 326 Cb -0.01 0.06 -0.04 0.00 -0.00 0.00 0.00 43.02 43.02 3ibb s PHE 326 CO 0.05 -0.22 -0.15 0.20 -0.00 0.00 0.00 175.22 175.10 3ibb s GLY 327 N 1.10 1.33 -0.19 1.99 0.00 2.03 -4.26 107.32 109.31 3ibb s GLY 327 Ca -0.08 -1.53 -0.14 0.00 0.00 0.00 0.00 44.72 42.97 3ibb s GLY 327 CO -0.07 -1.61 0.31 0.50 0.00 0.00 0.00 173.10 172.23 3ibb s ARG 328 N -3.22 4.19 -0.23 2.90 0.52 -1.26 0.67 118.95 122.52 3ibb s ARG 328 Ca 0.18 0.06 -0.10 0.00 -0.52 0.00 0.00 55.73 55.35 3ibb s ARG 328 Cb -0.03 -3.49 -0.05 0.00 0.52 0.00 0.00 34.95 31.90 3ibb s ARG 328 CO 0.06 0.09 0.15 0.08 0.02 0.00 0.00 175.30 175.70 3ibb s VAL 329 N 0.92 5.33 -1.50 3.52 1.01 -0.65 -0.22 120.40 128.81 3ibb s VAL 329 Ca 0.16 0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.30 3ibb s VAL 329 Cb -0.14 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.77 3ibb s VAL 329 CO 0.05 0.37 0.08 1.21 0.00 0.00 0.00 175.10 176.81 3ibb n GLU 330 N 4.14 -2.27 -0.98 2.72 2.13 -1.26 -0.69 120.64 124.42 3ibb n GLU 330 Ca -0.15 0.84 0.00 0.00 0.66 0.00 0.00 57.16 58.51 3ibb n GLU 330 Cb 0.52 -5.51 0.00 0.00 0.27 0.00 0.00 31.44 26.72 3ibb n GLU 330 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ibb n GLY 331 N -1.01 0.58 3.41 8.31 0.00 -1.25 -3.46 105.19 111.77 3ibb n GLY 331 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 3ibb n GLY 331 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ibb s ARG 332 N -0.21 3.48 0.36 1.61 0.52 0.13 -0.56 118.95 124.27 3ibb s ARG 332 Ca 0.00 -0.63 -0.28 0.00 -0.52 0.00 0.00 55.73 54.30 3ibb s ARG 332 Cb 0.00 -2.72 -0.11 0.00 0.52 0.00 0.00 34.95 32.64 3ibb s ARG 332 CO 0.00 0.23 1.42 -2.14 0.02 0.00 0.00 175.30 174.83 3ibb s PRO 333 N 0.35 4.20 0.12 3.54 0.02 -1.26 -1.63 135.00 140.33 3ibb s PRO 333 Ca -0.09 2.44 -0.05 0.00 0.02 0.00 0.00 61.00 63.32 3ibb s PRO 333 Cb -0.15 -3.01 -0.02 0.00 0.02 0.00 0.00 34.50 31.33 3ibb s PRO 333 CO 0.05 -0.41 0.14 0.08 -0.33 0.00 0.00 177.00 176.53 3ibb s VAL 334 N -1.07 0.12 0.06 3.83 1.01 0.21 -4.38 120.40 120.17 3ibb s VAL 334 Ca 0.52 -1.58 0.05 0.00 0.00 0.00 0.00 61.98 60.97 3ibb s VAL 334 Cb -0.44 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 3ibb s VAL 334 CO 0.59 -0.55 -0.14 -0.83 0.00 0.00 0.00 175.10 174.17 3ibb s GLY 335 N -2.96 0.81 -0.15 4.51 0.00 -0.27 0.53 107.32 109.79 3ibb s GLY 335 Ca 0.15 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 43.96 3ibb s GLY 335 CO -0.04 -0.92 -0.12 -0.42 0.00 0.00 0.00 173.10 171.60 3ibb s ILE 336 N -1.10 1.44 -0.21 0.90 1.09 0.75 -0.46 121.20 123.61 3ibb s ILE 336 Ca -0.01 -0.59 -0.02 0.00 -1.10 0.00 0.00 60.65 58.93 3ibb s ILE 336 Cb -0.09 -1.39 0.00 0.00 -1.06 0.00 0.00 42.46 39.92 3ibb s ILE 336 CO 0.02 0.40 -0.08 -0.69 -0.10 0.00 0.00 174.94 174.49 3ibb s VAL 337 N 1.54 2.99 0.03 2.92 1.01 -1.04 -0.69 120.40 127.16 3ibb s VAL 337 Ca 0.04 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3ibb s VAL 337 Cb -0.13 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 3ibb s VAL 337 CO -0.10 0.42 -0.05 0.00 0.00 0.00 0.00 175.10 175.37 3ibb s ALA 338 N 1.41 0.35 0.65 5.51 0.00 -0.99 -1.33 121.76 127.36 3ibb s ALA 338 Ca 0.05 -0.73 -0.14 0.00 0.00 0.00 0.00 51.96 51.15 3ibb s ALA 338 Cb -0.14 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 3ibb s ALA 338 CO -0.06 -0.12 1.07 -0.80 0.00 0.00 0.00 175.76 175.84 3ibb s ASN 339 N -1.66 5.46 -0.42 0.00 -0.87 -1.06 -1.03 114.94 115.36 3ibb s ASN 339 Ca -0.11 1.78 0.02 0.00 -1.57 0.00 0.00 52.86 52.97 3ibb s ASN 339 Cb -0.08 -2.52 0.14 0.00 -0.02 0.00 0.00 41.25 38.76 3ibb s ASN 339 CO -0.01 -1.39 0.24 -1.58 -2.57 0.00 0.00 177.10 171.79 3ibb s GLN 340 N -4.45 1.15 0.52 -0.60 2.00 -0.04 -4.71 119.66 113.53 3ibb s GLN 340 Ca 0.62 -1.89 0.24 0.00 -2.00 0.00 0.00 55.36 52.33 3ibb s GLN 340 Cb -0.16 -2.13 1.35 0.00 0.80 0.00 0.00 33.01 32.87 3ibb s GLN 340 CO 0.45 -1.18 1.99 -1.35 -0.50 0.00 0.00 175.29 174.70 3ibb h PRO 341 N 6.75 0.06 -0.89 1.67 0.11 -1.85 0.51 132.00 138.36 3ibb h PRO 341 Ca 0.01 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.15 3ibb h PRO 341 Cb 0.93 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.98 3ibb h PRO 341 CO 0.44 0.04 0.59 0.52 -0.21 0.00 0.00 178.00 179.37 3ibb h MET 342 N 0.06 1.10 -4.92 1.05 2.86 -1.93 -2.20 114.93 110.95 3ibb h MET 342 Ca 0.26 -0.07 -0.66 0.00 -2.06 0.00 0.00 59.70 57.17 3ibb h MET 342 Cb 0.95 -0.25 -0.27 0.00 0.06 0.00 0.00 31.60 32.10 3ibb h MET 342 CO -0.02 0.73 -0.68 -0.65 1.06 0.00 0.00 176.91 177.35 3ibb s GLN 343 N -5.96 3.29 -1.48 1.72 -1.52 0.17 -4.49 119.66 111.40 3ibb s GLN 343 Ca -0.12 -0.70 -0.12 0.00 -1.95 0.00 0.00 55.36 52.47 3ibb s GLN 343 Cb 0.19 -3.17 0.06 0.00 -0.22 0.00 0.00 33.01 29.86 3ibb s GLN 343 CO 0.80 -0.29 1.04 1.19 -0.25 0.00 0.00 175.29 177.78 3ibb n PHE 344 N 4.83 -2.49 -2.45 0.91 3.01 -1.26 -2.90 117.46 117.11 3ibb n PHE 344 Ca -0.17 0.93 -0.19 0.00 1.01 0.00 0.00 57.45 59.04 3ibb n PHE 344 Cb 0.50 -4.32 -0.01 0.00 -0.01 0.00 0.00 39.48 35.64 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 -4.77 -0.68 -3.03 4.37 0.00 -0.84 -2.61 120.51 112.95 3ibb n ALA 345 Ca 0.03 0.16 -0.22 0.00 0.00 0.00 0.00 53.44 53.41 3ibb n ALA 345 Cb 0.54 -2.10 0.02 0.00 0.00 0.00 0.00 19.45 17.90 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 -0.99 -0.51 3.90 0.00 0.00 -1.13 -4.43 105.19 102.04 3ibb n GLY 346 Ca -0.21 0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 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 -4.81 4.09 0.21 0.00 1.43 -0.84 -4.79 118.68 113.98 3ibb s LEU 348 Ca 0.49 2.23 -0.22 0.00 -1.03 0.00 0.00 54.13 55.59 3ibb s LEU 348 Cb -0.10 -4.17 0.04 0.00 0.03 0.00 0.00 46.19 41.99 3ibb s LEU 348 CO 0.46 -0.73 0.72 1.51 0.23 0.00 0.00 176.35 178.54 3ibb s ASP 349 N -1.37 -0.35 0.21 2.29 -4.77 -1.26 -1.82 116.67 109.59 3ibb s ASP 349 Ca 0.60 -0.37 -0.08 0.00 -3.30 0.00 0.00 52.55 49.40 3ibb s ASP 349 Cb -0.27 0.65 0.14 0.00 -1.09 0.00 0.00 42.92 42.35 3ibb s ASP 349 CO 0.33 -1.15 1.72 0.16 0.70 0.00 0.00 175.17 176.94 3ibb h ILE 350 N 2.00 1.26 -0.38 2.11 3.07 -1.94 1.45 117.51 125.08 3ibb h ILE 350 Ca -0.24 -0.97 0.01 0.00 1.55 0.00 0.00 64.86 65.20 3ibb h ILE 350 Cb 1.27 0.54 -0.02 0.00 -0.27 0.00 0.00 36.82 38.34 3ibb h ILE 350 CO 0.28 0.37 0.24 0.71 -1.05 0.00 0.00 178.15 178.70 3ibb h THR 351 N 1.06 1.06 -0.11 0.16 1.35 -1.98 -1.32 112.91 113.14 3ibb h THR 351 Ca 0.22 -0.17 -0.16 0.00 -0.55 0.00 0.00 66.41 65.75 3ibb h THR 351 Cb 0.38 0.54 -0.01 0.00 -1.73 0.00 0.00 68.15 67.33 3ibb h THR 351 CO 0.00 0.09 -0.63 0.00 -0.25 0.00 0.00 175.52 174.73 3ibb h ALA 352 N 1.16 0.71 -0.27 6.62 0.00 -1.03 -1.71 119.26 124.74 3ibb h ALA 352 Ca 0.15 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 3ibb h ALA 352 Cb -0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3ibb h ALA 352 CO -0.05 0.73 0.16 0.66 0.00 0.00 0.00 179.25 180.74 3ibb h SER 353 N 0.29 0.33 -0.61 0.00 4.64 0.19 -2.39 113.55 116.00 3ibb h SER 353 Ca -0.01 -0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 61.17 3ibb h SER 353 Cb 1.17 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 63.15 3ibb h SER 353 CO 0.11 0.30 0.11 -0.33 -0.87 0.00 0.00 176.83 176.15 3ibb h GLU 354 N 0.34 1.03 0.13 4.77 5.08 -1.35 0.78 114.58 125.37 3ibb h GLU 354 Ca 0.10 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 3ibb h GLU 354 Cb 0.03 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3ibb h GLU 354 CO -0.02 0.94 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.65 3ibb h LYS 355 N 0.97 -0.17 -0.24 2.33 3.64 -1.06 -3.16 116.57 118.88 3ibb h LYS 355 Ca 0.20 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.50 3ibb h LYS 355 Cb 0.40 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3ibb h LYS 355 CO 0.01 -0.05 -0.19 0.00 -2.27 0.00 0.00 179.45 176.95 3ibb h ALA 356 N 0.61 0.35 -0.44 5.00 0.00 -1.47 -3.36 119.26 119.95 3ibb h ALA 356 Ca -0.02 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 3ibb h ALA 356 Cb 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3ibb h ALA 356 CO 0.03 0.28 0.11 0.00 0.00 0.00 0.00 179.25 179.67 3ibb h ALA 357 N 0.69 1.37 -0.86 0.00 0.00 0.63 0.38 119.26 121.47 3ibb h ALA 357 Ca 0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3ibb h ALA 357 Cb 0.73 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3ibb h ALA 357 CO 0.05 0.45 0.44 -0.09 0.00 0.00 0.00 179.25 180.11 3ibb h ARG 358 N 0.64 1.22 -0.60 0.00 2.43 -1.77 -3.12 114.38 113.18 3ibb h ARG 358 Ca 0.15 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3ibb h ARG 358 Cb 0.23 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 3ibb h ARG 358 CO -0.00 0.91 0.27 0.35 -1.51 0.00 0.00 179.97 179.99 3ibb h PHE 359 N 1.21 0.87 -0.55 2.20 3.57 -0.49 -1.64 116.94 122.13 3ibb h PHE 359 Ca 0.30 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 3ibb h PHE 359 Cb 0.07 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 3ibb h PHE 359 CO 0.01 0.68 0.29 0.28 -2.23 0.00 0.00 178.31 177.34 3ibb h VAL 360 N 0.82 1.19 -0.56 1.41 2.07 -1.02 -2.48 116.25 117.69 3ibb h VAL 360 Ca 0.20 -0.50 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 3ibb h VAL 360 Cb 0.14 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3ibb h VAL 360 CO -0.02 0.21 0.01 0.03 0.02 0.00 0.00 177.57 177.82 3ibb h ARG 361 N 0.74 0.98 -0.72 1.57 3.08 -1.47 -1.76 114.38 116.80 3ibb h ARG 361 Ca 0.19 -0.31 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 3ibb h ARG 361 Cb 0.07 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 3ibb h ARG 361 CO -0.03 0.98 0.30 1.15 -1.07 0.00 0.00 179.97 181.30 3ibb h THR 362 N 0.86 1.24 -0.49 2.04 2.02 -1.04 0.14 112.91 117.68 3ibb h THR 362 Ca 0.16 -0.74 -0.01 0.00 0.77 0.00 0.00 66.41 66.59 3ibb h THR 362 Cb 0.53 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3ibb h THR 362 CO 0.03 0.30 0.26 0.00 0.37 0.00 0.00 175.52 176.47 3ibb h ASP 364 N 0.65 0.90 -0.76 0.00 3.58 -0.28 0.95 116.42 121.47 3ibb h ASP 364 Ca 0.17 -0.19 -0.04 0.00 0.42 0.00 0.00 57.03 57.40 3ibb h ASP 364 Cb 0.08 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.86 3ibb h ASP 364 CO -0.03 0.85 0.34 0.00 -2.88 0.00 0.00 179.24 177.52 3ibb h ALA 365 N 1.09 0.98 -0.08 -0.78 0.00 -0.76 -3.02 119.26 116.68 3ibb h ALA 365 Ca 0.21 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ibb h ALA 365 Cb 0.25 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3ibb h ALA 365 CO -0.01 0.57 0.00 1.19 0.00 0.00 0.00 179.25 181.00 3ibb n PHE 366 N -4.35 0.10 -3.41 0.00 3.72 -1.14 -4.76 117.46 107.61 3ibb n PHE 366 Ca 0.07 -0.05 -0.19 0.00 -0.05 0.00 0.00 57.45 57.23 3ibb n PHE 366 Cb 0.16 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.77 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 0.15 -4.24 -4.61 4.37 3.02 -1.14 -4.56 115.26 108.24 3ibb n ASN 367 Ca 0.18 -0.52 -0.34 0.00 -0.03 0.00 0.00 54.58 53.86 3ibb n ASN 367 Cb 0.32 -4.65 -0.10 0.00 -0.61 0.00 0.00 39.78 34.74 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 4.47 0.49 2.41 1.01 0.32 -4.48 120.40 121.32 3ibb s VAL 368 Ca 0.30 -0.16 -0.22 0.00 0.00 0.00 0.00 61.98 61.90 3ibb s VAL 368 Cb -0.13 -2.97 -0.06 0.00 0.00 0.00 0.00 36.38 33.21 3ibb s VAL 368 CO 0.66 0.50 1.22 -2.84 0.00 0.00 0.00 175.10 174.65 3ibb s PRO 369 N 0.07 3.53 -0.28 2.72 0.02 -1.26 -4.33 135.00 135.47 3ibb s PRO 369 Ca 0.03 1.91 -0.07 0.00 0.02 0.00 0.00 61.00 62.89 3ibb s PRO 369 Cb -0.13 -2.33 -0.00 0.00 0.02 0.00 0.00 34.50 32.06 3ibb s PRO 369 CO 0.01 -0.78 0.07 0.08 -0.33 0.00 0.00 177.00 176.06 3ibb s VAL 370 N -1.48 4.04 -0.27 3.83 1.01 -0.24 -1.11 120.40 126.16 3ibb s VAL 370 Ca 0.67 -0.53 -0.08 0.00 0.00 0.00 0.00 61.98 62.04 3ibb s VAL 370 Cb -0.32 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 3ibb s VAL 370 CO 0.38 0.17 0.09 -0.76 0.00 0.00 0.00 175.10 174.98 3ibb s LEU 371 N 1.53 3.68 -0.14 3.92 1.43 0.39 -1.52 118.68 127.98 3ibb s LEU 371 Ca 0.04 -0.42 -0.00 0.00 -1.03 0.00 0.00 54.13 52.72 3ibb s LEU 371 Cb -0.16 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 3ibb s LEU 371 CO 0.02 -0.11 -0.13 0.28 0.23 0.00 0.00 176.35 176.64 3ibb s THR 372 N 1.58 2.95 -0.17 5.49 -1.32 0.06 -2.50 115.64 121.73 3ibb s THR 372 Ca 0.05 -0.69 -0.04 0.00 -1.21 0.00 0.00 61.69 59.80 3ibb s THR 372 Cb -0.16 -2.24 -0.03 0.00 -1.51 0.00 0.00 72.50 68.56 3ibb s THR 372 CO 0.04 0.52 -0.03 -0.36 -2.21 0.00 0.00 174.62 172.58 3ibb s PHE 373 N 0.51 3.04 -0.23 9.09 0.40 -0.44 0.03 117.98 130.37 3ibb s PHE 373 Ca -0.09 -0.33 -0.07 0.00 -0.60 0.00 0.00 56.93 55.84 3ibb s PHE 373 Cb -0.16 -1.99 -0.03 0.00 0.51 0.00 0.00 43.02 41.35 3ibb s PHE 373 CO 0.04 -0.08 0.05 0.08 0.70 0.00 0.00 175.22 176.01 3ibb s VAL 374 N 0.52 4.22 -0.42 -0.44 1.01 1.92 -2.56 120.40 124.64 3ibb s VAL 374 Ca -0.02 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 61.81 3ibb s VAL 374 Cb -0.14 -2.95 0.23 0.00 0.00 0.00 0.00 36.38 33.52 3ibb s VAL 374 CO 0.02 0.38 0.49 -0.67 0.00 0.00 0.00 175.10 175.32 3ibb n ASP 375 N 4.63 0.35 -4.27 3.32 -0.08 -1.25 -1.75 116.55 117.51 3ibb n ASP 375 Ca -0.17 -2.68 -0.32 0.00 -1.51 0.00 0.00 54.79 50.11 3ibb n ASP 375 Cb 0.52 -0.62 -0.16 0.00 2.34 0.00 0.00 41.12 43.19 3ibb n ASP 375 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3ibb s VAL 376 N -0.95 2.43 0.06 5.18 0.11 0.59 -4.64 120.40 123.18 3ibb s VAL 376 Ca 0.34 -0.88 -0.19 0.00 -2.93 0.00 0.00 61.98 58.32 3ibb s VAL 376 Cb 0.13 -1.97 -0.12 0.00 -1.53 0.00 0.00 36.38 32.88 3ibb s VAL 376 CO -0.13 0.54 1.41 -0.65 -3.33 0.00 0.00 175.10 172.94 3ibb h PRO 377 N 6.83 0.40 0.00 1.54 0.11 -1.77 -2.77 132.00 136.33 3ibb h PRO 377 Ca -0.24 -0.18 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3ibb h PRO 377 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3ibb h PRO 377 CO 0.51 0.71 0.00 0.41 -0.21 0.00 0.00 178.00 179.42 3ibb n GLY 378 N 0.02 -0.51 3.49 -0.55 0.00 -1.26 -4.04 105.19 102.35 3ibb n GLY 378 Ca -0.05 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.64 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 -3.05 3.01 -0.33 1.61 0.40 -1.26 -1.98 117.98 116.38 3ibb s PHE 379 Ca 0.00 -0.31 -0.44 0.00 -0.60 0.00 0.00 56.93 55.57 3ibb s PHE 379 Cb 0.00 -1.95 -0.20 0.00 0.51 0.00 0.00 43.02 41.39 3ibb s PHE 379 CO 0.00 -0.04 1.46 -0.11 0.70 0.00 0.00 175.22 177.23 3ibb n LEU 380 N 3.51 0.96 -4.81 -0.37 7.94 -0.76 -4.91 117.00 118.56 3ibb n LEU 380 Ca -0.17 1.17 -0.31 0.00 -1.11 0.00 0.00 56.01 55.59 3ibb n LEU 380 Cb 0.52 -0.91 0.07 0.00 0.53 0.00 0.00 43.42 43.63 3ibb n LEU 380 CO 0.33 -1.12 0.71 -2.84 -1.11 0.00 0.00 177.39 173.36 3ibb s PRO 381 N 2.14 2.64 0.00 1.96 0.02 -1.26 -4.88 135.00 135.63 3ibb s PRO 381 Ca 1.00 0.93 0.00 0.00 0.02 0.00 0.00 61.00 62.95 3ibb s PRO 381 Cb -1.40 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 31.17 3ibb s PRO 381 CO 0.73 -1.31 0.00 0.41 -0.33 0.00 0.00 177.00 176.51 3ibb n GLY 382 N -1.87 3.60 0.31 0.52 0.00 -1.26 -4.90 105.19 101.60 3ibb n GLY 382 Ca 0.08 -1.77 -0.04 0.00 0.00 0.00 0.00 46.02 44.29 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 0.63 1.24 -0.85 1.61 2.07 -2.01 -3.14 116.25 115.79 3ibb h VAL 383 Ca 0.00 -0.84 0.08 0.00 0.82 0.00 0.00 66.70 66.76 3ibb h VAL 383 Cb 0.00 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 3ibb h VAL 383 CO 0.00 0.32 0.55 -2.24 0.02 0.00 0.00 177.57 176.22 3ibb h ASP 384 N 0.90 0.80 0.09 0.57 3.04 -1.98 -1.32 116.42 118.52 3ibb h ASP 384 Ca 0.20 0.01 -0.00 0.00 -3.24 0.00 0.00 57.03 54.00 3ibb h ASP 384 Cb 0.29 -0.16 0.00 0.00 -1.04 0.00 0.00 39.33 38.42 3ibb h ASP 384 CO -0.00 0.50 -0.04 1.56 -2.04 0.00 0.00 179.24 179.21 3ibb h GLN 385 N 0.90 -0.11 -0.09 4.15 1.08 -1.88 -2.80 115.11 116.35 3ibb h GLN 385 Ca 0.38 0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.53 3ibb h GLN 385 Cb 0.30 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.75 3ibb h GLN 385 CO -0.15 0.06 -0.15 0.93 -0.95 0.00 0.00 178.83 178.58 3ibb h GLU 386 N -0.27 0.26 -0.30 1.46 5.08 -1.44 -1.40 114.58 117.97 3ibb h GLU 386 Ca -0.01 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 3ibb h GLU 386 Cb 0.23 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3ibb h GLU 386 CO 0.02 0.73 0.13 0.45 -1.00 0.00 0.00 179.01 179.34 3ibb h HIS 387 N -0.18 0.40 -0.23 4.33 3.86 -1.43 -1.07 115.15 120.83 3ibb h HIS 387 Ca 0.01 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 3ibb h HIS 387 Cb 0.71 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 3ibb h HIS 387 CO 0.10 0.32 0.04 -0.44 0.86 0.00 0.00 177.93 178.81 3ibb h ASP 388 N 0.42 0.30 -0.54 2.45 5.19 -1.55 -3.47 116.42 119.22 3ibb h ASP 388 Ca 0.11 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 3ibb h ASP 388 Cb 0.07 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.50 3ibb h ASP 388 CO -0.01 0.33 0.00 0.61 -3.12 0.00 0.00 179.24 177.04 3ibb n GLY 389 N -1.18 0.55 0.03 2.75 0.00 -0.40 -5.02 105.19 101.91 3ibb n GLY 389 Ca 0.00 -0.61 0.11 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.14 0.15 -0.20 -0.61 0.13 -0.53 -3.14 119.36 115.01 3ibb n ILE 390 Ca 0.00 -0.18 -0.09 0.00 -1.10 0.00 0.00 62.75 61.38 3ibb n ILE 390 Cb 0.05 0.22 0.02 0.00 -0.84 0.00 0.00 39.64 39.09 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 1.26 -0.01 9.51 5.03 -1.87 -3.07 117.51 128.35 3ibb h ILE 391 Ca 0.00 -1.02 0.00 0.00 -0.12 0.00 0.00 64.86 63.72 3ibb h ILE 391 Cb 0.66 0.82 0.00 0.00 -3.03 0.00 0.00 36.82 35.27 3ibb h ILE 391 CO 0.00 0.37 -0.46 -2.11 -0.68 0.00 0.00 178.15 175.27 3ibb n ARG 392 N -4.31 1.36 -0.11 2.37 1.85 -1.26 -3.93 116.66 112.63 3ibb n ARG 392 Ca 0.02 -0.85 -0.21 0.00 -1.00 0.00 0.00 57.85 55.81 3ibb n ARG 392 Cb 0.29 -1.40 -0.12 0.00 -1.05 0.00 0.00 32.46 30.19 3ibb n ARG 392 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3ibb n ARG 393 N -0.17 0.65 -0.23 2.89 1.74 -1.19 -3.73 116.66 116.63 3ibb n ARG 393 Ca 0.08 0.21 -0.08 0.00 -0.77 0.00 0.00 57.85 57.29 3ibb n ARG 393 Cb 0.41 -1.56 0.03 0.00 -1.02 0.00 0.00 32.46 30.32 3ibb n ARG 393 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3ibb h GLY 394 N 1.14 1.10 1.16 -0.13 0.00 -1.75 -2.53 103.07 102.06 3ibb h GLY 394 Ca -0.57 -0.69 0.08 0.00 0.00 0.00 0.00 47.33 46.16 3ibb h GLY 394 CO -0.13 0.64 0.34 0.00 0.00 0.00 0.00 176.54 177.39 3ibb h ALA 395 N 1.05 1.94 -0.98 3.60 0.00 -1.78 -2.48 119.26 120.62 3ibb h ALA 395 Ca 0.20 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.18 3ibb h ALA 395 Cb 0.36 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 3ibb h ALA 395 CO 0.00 -0.49 0.63 0.87 0.00 0.00 0.00 179.25 180.26 3ibb h LYS 396 N 0.00 1.05 -0.54 0.00 1.57 -1.70 4.04 116.57 120.99 3ibb h LYS 396 Ca 0.14 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3ibb h LYS 396 Cb 0.82 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 3ibb h LYS 396 CO -0.00 0.70 0.26 1.25 -0.57 0.00 0.00 179.45 181.08 3ibb h LEU 397 N 1.09 0.71 -0.80 2.94 5.85 -1.65 -1.70 115.31 121.75 3ibb h LEU 397 Ca 0.44 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.99 3ibb h LEU 397 Cb 0.26 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 3ibb h LEU 397 CO -0.19 0.65 0.38 0.40 -0.34 0.00 0.00 178.44 179.34 3ibb h ILE 398 N 0.73 1.25 -0.81 4.05 2.04 0.77 0.13 117.51 125.67 3ibb h ILE 398 Ca 0.19 -0.71 -0.05 0.00 1.00 0.00 0.00 64.86 65.29 3ibb h ILE 398 Cb 0.13 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.42 3ibb h ILE 398 CO -0.02 0.30 0.32 0.15 0.00 0.00 0.00 178.15 178.90 3ibb h PHE 399 N 1.13 1.23 -0.55 1.37 3.57 -1.41 -2.52 116.94 119.77 3ibb h PHE 399 Ca 0.27 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 3ibb h PHE 399 Cb 0.13 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 38.47 3ibb h PHE 399 CO 0.01 0.92 0.31 0.00 -2.23 0.00 0.00 178.31 177.32 3ibb h ALA 400 N 1.17 0.70 -0.40 2.41 0.00 0.22 1.60 119.26 124.97 3ibb h ALA 400 Ca 0.27 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3ibb h ALA 400 Cb 0.21 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3ibb h ALA 400 CO -0.02 0.21 0.03 1.88 0.00 0.00 0.00 179.25 181.36 3ibb h TYR 401 N 0.74 0.73 -0.92 0.00 0.05 -1.56 -2.92 116.97 113.08 3ibb h TYR 401 Ca 0.19 -0.11 -0.01 0.00 0.05 0.00 0.00 58.73 58.85 3ibb h TYR 401 Cb 0.03 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 37.54 3ibb h TYR 401 CO -0.02 0.73 0.55 0.00 -1.05 0.00 0.00 178.16 178.37 3ibb h ALA 402 N 0.90 1.18 -0.60 3.88 0.00 -0.35 -2.10 119.26 122.17 3ibb h ALA 402 Ca 0.12 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3ibb h ALA 402 Cb 0.42 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3ibb h ALA 402 CO 0.01 0.64 0.15 1.49 0.00 0.00 0.00 179.25 181.55 3ibb h GLU 403 N 1.28 0.96 -6.62 0.00 4.81 0.21 -3.46 114.58 111.75 3ibb h GLU 403 Ca 0.33 -0.23 -0.53 0.00 -0.13 0.00 0.00 59.36 58.81 3ibb h GLU 403 Cb -0.04 -0.13 0.03 0.00 0.63 0.00 0.00 28.75 29.24 3ibb h GLU 403 CO -0.06 0.87 0.65 0.00 -0.73 0.00 0.00 179.01 179.75 3ibb s ALA 404 N -5.32 3.52 -1.57 2.92 0.00 -0.79 -4.93 121.76 115.58 3ibb s ALA 404 Ca -0.12 1.07 0.20 0.00 0.00 0.00 0.00 51.96 53.10 3ibb s ALA 404 Cb 0.13 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.70 3ibb s ALA 404 CO 0.82 -0.53 0.94 0.25 0.00 0.00 0.00 175.76 177.24 3ibb n THR 405 N 3.12 0.00 -1.28 0.00 -2.24 -1.26 -4.98 114.28 107.64 3ibb n THR 405 Ca 0.08 -0.23 -0.29 0.00 -2.27 0.00 0.00 64.05 61.34 3ibb n THR 405 Cb 0.43 1.17 0.15 0.00 -2.10 0.00 0.00 70.33 69.98 3ibb n THR 405 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3ibb s VAL 406 N -2.39 2.36 0.13 2.28 -7.23 -1.26 -4.84 120.40 109.44 3ibb s VAL 406 Ca 0.14 0.12 -0.34 0.00 -1.81 0.00 0.00 61.98 60.08 3ibb s VAL 406 Cb 0.16 -2.67 -0.14 0.00 0.56 0.00 0.00 36.38 34.28 3ibb s VAL 406 CO 0.58 -0.15 1.59 -2.65 -0.31 0.00 0.00 175.10 174.16 3ibb n PRO 407 N -3.94 2.07 -4.11 4.82 -0.02 -1.26 -4.77 135.00 127.78 3ibb n PRO 407 Ca 0.06 0.75 -0.34 0.00 -2.02 0.00 0.00 63.50 61.95 3ibb n PRO 407 Cb 0.57 -2.51 -0.15 0.00 -0.02 0.00 0.00 33.50 31.38 3ibb n PRO 407 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ibb s LEU 408 N 1.23 2.48 -0.07 2.45 2.01 -1.26 -1.08 118.68 124.44 3ibb s LEU 408 Ca 0.81 -0.52 0.02 0.00 0.01 0.00 0.00 54.13 54.45 3ibb s LEU 408 Cb -0.70 -1.59 0.01 0.00 0.01 0.00 0.00 46.19 43.91 3ibb s LEU 408 CO 0.40 0.01 -0.14 -0.63 1.01 0.00 0.00 176.35 177.00 3ibb s ILE 409 N 1.27 1.24 -0.07 -0.59 1.01 -0.57 -1.42 121.20 122.07 3ibb s ILE 409 Ca 0.03 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.17 3ibb s ILE 409 Cb -0.14 -1.12 0.01 0.00 0.01 0.00 0.00 42.46 41.22 3ibb s ILE 409 CO -0.07 0.38 -0.13 -0.89 0.00 0.00 0.00 174.94 174.23 3ibb s THR 410 N 0.62 1.18 -0.08 2.92 2.01 0.85 -0.76 115.64 122.38 3ibb s THR 410 Ca -0.15 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 61.36 3ibb s THR 410 Cb -0.16 -1.08 0.01 0.00 0.01 0.00 0.00 72.50 71.29 3ibb s THR 410 CO 0.04 0.37 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.52 3ibb s VAL 411 N 0.66 1.24 -0.32 3.82 1.01 0.10 0.17 120.40 127.08 3ibb s VAL 411 Ca -0.15 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 3ibb s VAL 411 Cb -0.16 -1.14 0.04 0.00 0.00 0.00 0.00 36.38 35.12 3ibb s VAL 411 CO 0.04 0.38 0.07 -0.63 0.00 0.00 0.00 175.10 174.96 3ibb s ILE 412 N 0.81 3.60 -0.01 2.22 1.01 -0.40 0.51 121.20 128.94 3ibb s ILE 412 Ca -0.11 -1.12 -0.26 0.00 0.00 0.00 0.00 60.65 59.16 3ibb s ILE 412 Cb -0.15 -3.01 -0.20 0.00 0.01 0.00 0.00 42.46 39.11 3ibb s ILE 412 CO 0.02 -0.11 1.29 0.71 0.00 0.00 0.00 174.94 176.85 3ibb h THR 413 N 6.19 1.37 0.00 2.92 1.35 -1.65 0.29 112.91 123.38 3ibb h THR 413 Ca -0.24 -1.10 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 3ibb h THR 413 Cb 1.08 2.10 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 3ibb h THR 413 CO 0.59 0.29 0.00 -1.14 -0.25 0.00 0.00 175.52 175.00 3ibb n ARG 414 N -4.85 0.00 -3.73 4.72 0.63 -1.24 -0.73 116.66 111.45 3ibb n ARG 414 Ca -0.08 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.48 3ibb n ARG 414 Cb 0.24 -0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.03 3ibb n ARG 414 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3ibb s LYS 415 N -1.08 3.71 -0.42 -0.14 -0.14 -1.26 0.48 119.74 120.88 3ibb s LYS 415 Ca 0.00 -0.45 0.06 0.00 -1.36 0.00 0.00 55.97 54.22 3ibb s LYS 415 Cb 0.00 -3.37 0.21 0.00 -1.68 0.00 0.00 37.83 32.99 3ibb s LYS 415 CO 0.00 -0.18 0.45 0.00 -0.76 0.00 0.00 175.35 174.86 3ibb n ALA 416 N 4.92 2.73 -2.76 5.17 0.00 0.82 0.22 120.51 131.61 3ibb n ALA 416 Ca -0.16 -3.36 -0.33 0.00 0.00 0.00 0.00 53.44 49.59 3ibb n ALA 416 Cb 0.51 -0.80 -0.13 0.00 0.00 0.00 0.00 19.45 19.04 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 -0.69 2.77 0.01 0.00 2.99 -1.05 -2.19 117.98 119.83 3ibb s PHE 417 Ca 0.34 -0.36 0.00 0.00 0.00 0.00 0.00 56.93 56.91 3ibb s PHE 417 Cb 0.10 -1.74 0.00 0.00 0.00 0.00 0.00 43.02 41.38 3ibb s PHE 417 CO -0.15 0.02 0.00 0.41 -0.00 0.00 0.00 175.22 175.50 3ibb n GLY 418 N 2.87 -1.30 0.15 4.36 0.00 -0.73 -3.67 105.19 106.86 3ibb n GLY 418 Ca -0.18 -1.53 0.09 0.00 0.00 0.00 0.00 46.02 44.41 3ibb n GLY 418 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ibb n GLY 419 N -1.11 -0.79 0.25 -0.02 0.00 -1.26 0.31 105.19 102.58 3ibb n GLY 419 Ca 0.00 0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.28 3ibb n GLY 419 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibb h ALA 420 N 1.83 1.77 -0.79 4.61 0.00 -1.93 -1.31 119.26 123.43 3ibb h ALA 420 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3ibb h ALA 420 Cb 0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3ibb h ALA 420 CO 0.00 0.09 0.40 -0.92 0.00 0.00 0.00 179.25 178.82 3ibb h TYR 421 N 0.00 1.11 -0.51 0.00 3.20 0.48 -1.76 116.97 119.50 3ibb h TYR 421 Ca -0.00 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 3ibb h TYR 421 Cb 0.14 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.03 3ibb h TYR 421 CO 0.00 0.80 0.20 0.00 -1.64 0.00 0.00 178.16 177.51 3ibb h ALA 422 N 1.31 0.66 -0.80 1.82 0.00 -1.41 -3.22 119.26 117.62 3ibb h ALA 422 Ca 0.27 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3ibb h ALA 422 Cb 0.09 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3ibb h ALA 422 CO -0.04 0.28 0.37 0.28 0.00 0.00 0.00 179.25 180.14 3ibb h VAL 423 N 0.68 1.25 -0.85 0.00 2.07 -1.02 -3.17 116.25 115.21 3ibb h VAL 423 Ca 0.17 -0.72 -0.72 0.00 0.82 0.00 0.00 66.70 66.25 3ibb h VAL 423 Cb 0.21 0.24 -0.10 0.00 -1.52 0.00 0.00 31.29 30.13 3ibb h VAL 423 CO -0.01 0.31 2.40 0.23 0.02 0.00 0.00 177.57 180.51 3ibb n MET 424 N -4.31 3.20 -3.84 1.57 2.81 -0.87 -4.59 117.12 111.08 3ibb n MET 424 Ca 0.08 -3.16 -0.28 0.00 -1.81 0.00 0.00 57.70 52.53 3ibb n MET 424 Cb 0.15 -3.21 0.03 0.00 -0.71 0.00 0.00 33.22 29.48 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 4.07 -0.45 3.85 3.03 0.00 -1.25 -4.91 105.19 109.52 3ibb n GLY 425 Ca 0.46 0.18 -0.31 0.00 0.00 0.00 0.00 46.02 46.36 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 -3.55 5.91 0.40 1.61 1.04 -1.20 -4.68 113.70 113.23 3ibb s SER 426 Ca 0.51 1.48 0.07 0.00 0.48 0.00 0.00 55.95 58.48 3ibb s SER 426 Cb -0.25 -2.46 0.83 0.00 0.10 0.00 0.00 66.02 64.24 3ibb s SER 426 CO 0.82 -1.09 2.04 0.50 0.98 0.00 0.00 173.24 176.50 3ibb h LYS 427 N -0.47 0.58 -0.94 4.02 3.64 -1.82 0.55 116.57 122.13 3ibb h LYS 427 Ca -0.44 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3ibb h LYS 427 Cb 1.20 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.84 3ibb h LYS 427 CO 0.60 0.39 0.60 0.45 -2.27 0.00 0.00 179.45 179.22 3ibb h HIS 428 N 0.60 1.20 0.00 1.91 3.86 -1.91 1.11 115.15 121.93 3ibb h HIS 428 Ca 0.18 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 3ibb h HIS 428 Cb -0.01 -0.40 0.00 0.00 1.06 0.00 0.00 27.41 28.06 3ibb h HIS 428 CO -0.00 0.77 0.00 1.25 0.86 0.00 0.00 177.93 180.81 3ibb h LEU 429 N 1.28 0.00 0.00 2.43 5.85 -1.16 -3.45 115.31 120.25 3ibb h LEU 429 Ca 0.34 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.06 3ibb h LEU 429 Cb -0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.91 3ibb h LEU 429 CO -0.07 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.64 3ibb n GLY 430 N -0.39 1.18 3.75 3.75 0.00 0.38 -4.36 105.19 109.51 3ibb n GLY 430 Ca -0.01 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 3.51 0.05 4.61 0.00 -1.19 -4.94 121.76 121.80 3ibb s ALA 431 Ca 0.00 1.13 -0.19 0.00 0.00 0.00 0.00 51.96 52.90 3ibb s ALA 431 Cb 0.00 -3.47 -0.14 0.00 0.00 0.00 0.00 23.12 19.51 3ibb s ALA 431 CO 0.00 -0.53 1.33 -0.44 0.00 0.00 0.00 175.76 176.12 3ibb h ASP 432 N 4.82 0.49 -3.34 0.00 3.32 -1.60 -3.43 116.42 116.69 3ibb h ASP 432 Ca -0.46 -0.52 -0.60 0.00 0.02 0.00 0.00 57.03 55.47 3ibb h ASP 432 Cb 1.22 -0.14 -0.34 0.00 0.22 0.00 0.00 39.33 40.29 3ibb h ASP 432 CO 0.74 0.91 -0.85 -0.22 -1.72 0.00 0.00 179.24 178.10 3ibb s LEU 433 N -8.97 1.86 -0.20 1.55 2.96 -0.70 -5.02 118.68 110.17 3ibb s LEU 433 Ca -0.14 -0.45 -0.04 0.00 -0.22 0.00 0.00 54.13 53.28 3ibb s LEU 433 Cb 0.06 -1.15 -0.02 0.00 0.50 0.00 0.00 46.19 45.58 3ibb s LEU 433 CO 0.78 0.08 -0.03 0.20 -1.32 0.00 0.00 176.35 176.06 3ibb s ASN 434 N 0.63 4.60 -0.09 3.68 -0.87 -1.26 -0.10 114.94 121.53 3ibb s ASN 434 Ca -0.14 -0.27 0.04 0.00 -1.57 0.00 0.00 52.86 50.93 3ibb s ASN 434 Cb -0.16 -1.78 -0.00 0.00 -0.02 0.00 0.00 41.25 39.28 3ibb s ASN 434 CO 0.04 0.05 -0.24 -0.76 -2.57 0.00 0.00 177.10 173.62 3ibb s LEU 435 N 1.06 2.10 -0.08 0.60 2.01 0.45 -2.10 118.68 122.72 3ibb s LEU 435 Ca 0.01 -0.54 0.03 0.00 0.01 0.00 0.00 54.13 53.65 3ibb s LEU 435 Cb -0.15 -1.41 0.01 0.00 0.01 0.00 0.00 46.19 44.65 3ibb s LEU 435 CO 0.01 0.18 -0.19 0.00 1.01 0.00 0.00 176.35 177.36 3ibb s ALA 436 N 0.23 1.79 0.69 4.21 0.00 -0.90 -1.27 121.76 126.51 3ibb s ALA 436 Ca -0.15 -0.74 -0.12 0.00 0.00 0.00 0.00 51.96 50.95 3ibb s ALA 436 Cb -0.17 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.26 3ibb s ALA 436 CO 0.08 0.22 1.07 -1.58 0.00 0.00 0.00 175.76 175.55 3ibb s TRP 437 N 0.46 2.93 0.39 0.00 0.52 0.10 -2.46 118.94 120.87 3ibb s TRP 437 Ca -0.17 1.48 0.06 0.00 0.02 0.00 0.00 56.10 57.49 3ibb s TRP 437 Cb -0.17 -2.96 0.78 0.00 -1.15 0.00 0.00 33.47 29.97 3ibb s TRP 437 CO 0.07 -1.38 2.04 -1.35 0.02 0.00 0.00 176.95 176.34 3ibb h PRO 438 N -0.56 0.65 -0.55 4.98 0.11 -1.86 -1.28 132.00 133.49 3ibb h PRO 438 Ca -0.44 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 3ibb h PRO 438 Cb 1.22 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 3ibb h PRO 438 CO 0.55 0.43 0.23 1.15 -0.21 0.00 0.00 178.00 180.15 3ibb h THR 439 N 0.67 1.19 -3.76 -1.15 2.02 -1.92 -3.41 112.91 106.55 3ibb h THR 439 Ca 0.19 -0.59 -0.54 0.00 0.77 0.00 0.00 66.41 66.24 3ibb h THR 439 Cb -0.04 0.53 0.11 0.00 -1.74 0.00 0.00 68.15 67.01 3ibb h THR 439 CO -0.04 0.24 0.76 0.00 0.37 0.00 0.00 175.52 176.85 3ibb n ALA 440 N -2.46 2.29 -3.65 6.16 0.00 0.09 -4.52 120.51 118.43 3ibb n ALA 440 Ca 0.05 0.35 -0.34 0.00 0.00 0.00 0.00 53.44 53.49 3ibb n ALA 440 Cb 0.15 -2.41 -0.15 0.00 0.00 0.00 0.00 19.45 17.04 3ibb n ALA 440 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3ibb s GLN 441 N -1.84 3.25 -0.16 0.00 -0.21 1.74 -1.37 119.66 121.06 3ibb s GLN 441 Ca 0.55 -0.70 0.01 0.00 0.02 0.00 0.00 55.36 55.23 3ibb s GLN 441 Cb -0.49 -2.81 0.00 0.00 1.00 0.00 0.00 33.01 30.71 3ibb s GLN 441 CO 0.61 -0.15 -0.16 0.42 -2.12 0.00 0.00 175.29 173.89 3ibb s ILE 442 N 1.28 2.53 -0.01 1.08 1.01 -1.25 -0.13 121.20 125.70 3ibb s ILE 442 Ca 0.03 -0.81 -0.14 0.00 0.00 0.00 0.00 60.65 59.73 3ibb s ILE 442 Cb -0.14 -2.06 0.02 0.00 0.01 0.00 0.00 42.46 40.29 3ibb s ILE 442 CO -0.05 0.52 0.30 0.00 0.00 0.00 0.00 174.94 175.70 3ibb s ALA 443 N 0.89 -0.75 0.08 9.38 0.00 -0.93 -4.58 121.76 125.84 3ibb s ALA 443 Ca -0.04 0.27 -0.20 0.00 0.00 0.00 0.00 51.96 51.99 3ibb s ALA 443 Cb -0.15 0.10 -0.10 0.00 0.00 0.00 0.00 23.12 22.97 3ibb s ALA 443 CO -0.02 -0.27 1.52 0.28 0.00 0.00 0.00 175.76 177.28 3ibb h VAL 444 N 3.85 1.24 -2.61 0.00 2.07 -1.93 -1.95 116.25 116.92 3ibb h VAL 444 Ca -0.30 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 3ibb h VAL 444 Cb 1.18 1.38 -0.15 0.00 -1.52 0.00 0.00 31.29 32.19 3ibb h VAL 444 CO 0.40 0.25 0.25 0.00 0.02 0.00 0.00 177.57 178.49 3ibb s MET 445 N -5.07 1.15 0.60 1.57 0.23 -1.26 -2.57 119.30 113.95 3ibb s MET 445 Ca -0.14 -0.24 -0.16 0.00 -1.03 0.00 0.00 55.69 54.13 3ibb s MET 445 Cb 0.07 0.53 -0.03 0.00 -1.53 0.00 0.00 34.83 33.87 3ibb s MET 445 CO 0.73 -0.46 1.06 0.20 -2.03 0.00 0.00 175.02 174.52 3ibb s GLY 446 N -2.25 2.13 0.46 3.16 0.00 -1.26 -4.70 107.32 104.86 3ibb s GLY 446 Ca -0.02 0.41 0.16 0.00 0.00 0.00 0.00 44.72 45.26 3ibb s GLY 446 CO -0.06 0.73 2.01 0.00 0.00 0.00 0.00 173.10 175.78 3ibb h ALA 447 N 0.39 2.08 -0.03 3.20 0.00 -1.97 -0.99 119.26 121.93 3ibb h ALA 447 Ca -0.47 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 3ibb h ALA 447 Cb 1.22 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 3ibb h ALA 447 CO 0.57 -0.19 0.01 0.37 0.00 0.00 0.00 179.25 180.01 3ibb h GLN 448 N 0.30 0.04 -0.67 0.00 5.75 -1.98 0.31 115.11 118.86 3ibb h GLN 448 Ca 0.23 -0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.64 3ibb h GLN 448 Cb 0.51 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.03 3ibb h GLN 448 CO -0.05 0.24 0.12 0.78 -2.65 0.00 0.00 178.83 177.27 3ibb h GLY 449 N -0.17 1.18 0.91 2.39 0.00 -1.67 -3.33 103.07 102.37 3ibb h GLY 449 Ca 0.01 -0.77 -0.02 0.00 0.00 0.00 0.00 47.33 46.55 3ibb h GLY 449 CO -0.00 0.71 0.10 0.00 0.00 0.00 0.00 176.54 177.36 3ibb h ALA 450 N 1.09 0.39 -0.76 3.60 0.00 -1.04 -3.05 119.26 119.49 3ibb h ALA 450 Ca 0.21 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ibb h ALA 450 Cb 0.42 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3ibb h ALA 450 CO 0.01 0.01 0.46 -0.39 0.00 0.00 0.00 179.25 179.34 3ibb h VAL 451 N 0.33 1.21 0.27 0.00 -1.51 -0.53 -0.89 116.25 115.13 3ibb h VAL 451 Ca 0.10 -0.46 -0.01 0.00 -1.23 0.00 0.00 66.70 65.09 3ibb h VAL 451 Cb 0.22 0.15 0.00 0.00 -2.13 0.00 0.00 31.29 29.53 3ibb h VAL 451 CO -0.01 0.22 -0.13 0.78 -1.23 0.00 0.00 177.57 177.21 3ibb h ASN 452 N 1.03 -0.30 -0.09 4.19 2.35 -1.64 0.69 115.58 121.80 3ibb h ASN 452 Ca 0.27 -0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 3ibb h ASN 452 Cb -0.04 0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 3ibb h ASN 452 CO -0.05 -0.06 -0.02 0.40 -1.65 0.00 0.00 177.43 176.04 3ibb h ILE 453 N -0.54 1.29 -0.68 2.81 2.04 -1.54 -2.01 117.51 118.87 3ibb h ILE 453 Ca -0.04 -0.94 -0.07 0.00 1.00 0.00 0.00 64.86 64.81 3ibb h ILE 453 Cb 0.40 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 3ibb h ILE 453 CO 0.06 0.26 0.14 -0.07 0.00 0.00 0.00 178.15 178.54 3ibb h LEU 454 N -0.15 1.06 -3.17 1.44 3.38 -1.07 -3.33 115.31 113.48 3ibb h LEU 454 Ca 0.02 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3ibb h LEU 454 Cb 0.43 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3ibb h LEU 454 CO 0.01 1.04 0.00 1.41 0.09 0.00 0.00 178.44 180.99 3ibb n HIS 455 N -4.23 0.92 -0.30 1.13 8.25 0.24 -4.85 115.22 116.38 3ibb n HIS 455 Ca 0.05 -0.74 -0.01 0.00 -0.26 0.00 0.00 57.72 56.76 3ibb n HIS 455 Cb 0.28 -0.24 0.18 0.00 1.12 0.00 0.00 29.99 31.33 3ibb n HIS 455 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3ibb h ARG 456 N 2.17 1.15 -0.58 -0.41 9.65 -1.48 0.76 114.38 125.65 3ibb h ARG 456 Ca 0.00 -0.07 -0.04 0.00 -1.10 0.00 0.00 59.98 58.77 3ibb h ARG 456 Cb 1.28 -0.26 -0.03 0.00 -1.39 0.00 0.00 29.97 29.58 3ibb h ARG 456 CO 0.18 0.76 0.22 -0.09 2.80 0.00 0.00 179.97 183.84 3ibb h ARG 457 N 1.19 0.88 -0.55 0.20 9.65 -1.89 -1.10 114.38 122.76 3ibb h ARG 457 Ca 0.32 -0.17 -0.06 0.00 -1.10 0.00 0.00 59.98 58.98 3ibb h ARG 457 Cb -0.13 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.29 3ibb h ARG 457 CO -0.07 0.76 0.11 1.15 2.80 0.00 0.00 179.97 184.72 3ibb h THR 458 N 0.81 1.25 -0.67 0.20 2.02 0.09 -3.09 112.91 113.52 3ibb h THR 458 Ca 0.19 -0.93 -0.03 0.00 0.77 0.00 0.00 66.41 66.41 3ibb h THR 458 Cb 0.22 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 3ibb h THR 458 CO -0.01 0.34 0.28 0.40 0.37 0.00 0.00 175.52 176.89 3ibb h ILE 459 N 0.80 1.23 -0.69 3.11 1.08 -1.11 -3.26 117.51 118.66 3ibb h ILE 459 Ca 0.17 -0.69 -0.05 0.00 -0.39 0.00 0.00 64.86 63.90 3ibb h ILE 459 Cb 0.38 0.42 -0.03 0.00 -3.07 0.00 0.00 36.82 34.52 3ibb h ILE 459 CO 0.01 0.28 0.25 0.00 -0.69 0.00 0.00 178.15 177.99 3ibb h ALA 460 N 1.35 1.13 -0.76 1.87 0.00 -1.12 -3.39 119.26 118.34 3ibb h ALA 460 Ca 0.23 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3ibb h ALA 460 Cb 0.16 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3ibb h ALA 460 CO -0.02 0.61 0.37 -0.44 0.00 0.00 0.00 179.25 179.77 3ibb h ASP 461 N 1.01 0.99 -3.64 0.00 3.32 -1.59 -3.43 116.42 113.09 3ibb h ASP 461 Ca 0.23 -0.13 -0.68 0.00 0.02 0.00 0.00 57.03 56.47 3ibb h ASP 461 Cb 0.24 -0.26 -0.29 0.00 0.22 0.00 0.00 39.33 39.25 3ibb h ASP 461 CO -0.01 0.84 -0.82 0.00 -1.72 0.00 0.00 179.24 177.53 3ibb s ALA 462 N -5.72 2.42 -2.02 3.45 0.00 -1.26 -5.01 121.76 113.62 3ibb s ALA 462 Ca -0.13 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 50.95 3ibb s ALA 462 Cb 0.15 -0.95 0.32 0.00 0.00 0.00 0.00 23.12 22.64 3ibb s ALA 462 CO 0.81 0.36 1.23 0.41 0.00 0.00 0.00 175.76 178.57 3ibb n GLY 463 N 3.15 -0.38 3.55 0.00 0.00 -1.26 -4.85 105.19 105.40 3ibb n GLY 463 Ca -0.18 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 3ibb n GLY 463 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ibb s ASP 464 N -1.13 4.67 -0.87 1.61 -0.00 -1.26 -4.48 116.67 115.21 3ibb s ASP 464 Ca 0.14 -0.06 -0.05 0.00 -0.00 0.00 0.00 52.55 52.58 3ibb s ASP 464 Cb 0.07 -1.36 -0.00 0.00 -0.00 0.00 0.00 42.92 41.63 3ibb s ASP 464 CO 0.10 0.30 0.67 0.47 -0.00 0.00 0.00 175.17 176.72 3ibb n ASP 465 N 2.62 -5.86 -0.24 0.27 8.00 -1.26 -4.76 116.55 115.32 3ibb n ASP 465 Ca -0.18 -0.70 -0.06 0.00 0.71 0.00 0.00 54.79 54.56 3ibb n ASP 465 Cb 0.53 -3.14 0.04 0.00 -0.02 0.00 0.00 41.12 38.53 3ibb n ASP 465 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ibb h ALA 466 N 0.95 0.86 -0.16 2.24 0.00 -1.89 0.29 119.26 121.55 3ibb h ALA 466 Ca -0.44 -0.13 -0.69 0.00 0.00 0.00 0.00 54.91 53.65 3ibb h ALA 466 Cb 1.27 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3ibb h ALA 466 CO 0.37 0.41 3.47 0.39 0.00 0.00 0.00 179.25 183.89 3ibb n GLU 467 N -4.48 3.84 0.00 0.00 -0.58 -1.26 -4.11 120.64 114.05 3ibb n GLU 467 Ca 0.05 -2.53 0.00 0.00 -0.42 0.00 0.00 57.16 54.26 3ibb n GLU 467 Cb 0.12 -2.80 0.00 0.00 -0.57 0.00 0.00 31.44 28.19 3ibb n GLU 467 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ibb n ALA 468 N 3.36 2.65 -0.11 0.62 0.00 0.10 -4.79 120.51 122.34 3ibb n ALA 468 Ca 0.73 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 54.09 3ibb n ALA 468 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 3ibb n ALA 468 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ibb h THR 469 N 0.00 1.06 -0.33 0.00 1.03 -1.76 0.47 112.91 113.38 3ibb h THR 469 Ca 0.00 -0.16 -0.06 0.00 -0.01 0.00 0.00 66.41 66.18 3ibb h THR 469 Cb 0.00 0.56 -0.02 0.00 -1.07 0.00 0.00 68.15 67.62 3ibb h THR 469 CO 0.00 0.08 -0.05 -0.09 -0.01 0.00 0.00 175.52 175.45 3ibb h ARG 470 N 0.46 0.53 -0.94 0.00 2.43 -1.85 -2.61 114.38 112.41 3ibb h ARG 470 Ca 0.14 -0.13 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 3ibb h ARG 470 Cb -0.02 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.40 3ibb h ARG 470 CO -0.05 0.60 0.61 0.00 -1.51 0.00 0.00 179.97 179.62 3ibb h ALA 471 N 1.45 1.45 -0.48 2.80 0.00 -0.31 1.55 119.26 125.72 3ibb h ALA 471 Ca 0.10 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3ibb h ALA 471 Cb 0.41 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3ibb h ALA 471 CO 0.02 0.43 0.06 -0.09 0.00 0.00 0.00 179.25 179.67 3ibb h ARG 472 N 1.12 0.75 -0.66 0.00 1.12 -0.99 -2.54 114.38 113.17 3ibb h ARG 472 Ca 0.39 -0.17 -0.02 0.00 -1.11 0.00 0.00 59.98 59.07 3ibb h ARG 472 Cb 0.12 -0.10 -0.03 0.00 -0.01 0.00 0.00 29.97 29.95 3ibb h ARG 472 CO -0.14 0.72 0.33 -0.07 -3.11 0.00 0.00 179.97 177.70 3ibb h LEU 473 N 0.71 0.84 -0.72 3.80 3.38 0.23 0.01 115.31 123.57 3ibb h LEU 473 Ca 0.15 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3ibb h LEU 473 Cb 0.35 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3ibb h LEU 473 CO 0.01 0.71 0.21 0.40 0.09 0.00 0.00 178.44 179.86 3ibb h ILE 474 N 0.94 1.26 -0.57 1.22 2.04 -1.34 -2.72 117.51 118.34 3ibb h ILE 474 Ca 0.23 -0.92 0.04 0.00 1.00 0.00 0.00 64.86 65.21 3ibb h ILE 474 Cb 0.09 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 3ibb h ILE 474 CO -0.03 0.36 0.33 -0.61 0.00 0.00 0.00 178.15 178.19 3ibb h GLN 475 N 1.07 0.62 -0.23 2.37 4.15 -0.62 -1.78 115.11 120.69 3ibb h GLN 475 Ca 0.23 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.56 3ibb h GLN 475 Cb 0.32 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 3ibb h GLN 475 CO -0.01 0.41 -0.06 0.93 -1.93 0.00 0.00 178.83 178.17 3ibb h GLU 476 N 0.64 0.45 -0.28 1.69 5.08 -1.21 -2.50 114.58 118.45 3ibb h GLU 476 Ca 0.24 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 3ibb h GLU 476 Cb 0.07 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3ibb h GLU 476 CO -0.12 0.69 -0.22 -0.92 -1.00 0.00 0.00 179.01 177.43 3ibb h TYR 477 N 0.18 0.76 -0.30 4.33 5.03 -1.30 -1.51 116.97 124.15 3ibb h TYR 477 Ca 0.06 -0.21 -0.06 0.00 2.58 0.00 0.00 58.73 61.09 3ibb h TYR 477 Cb 0.53 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.63 3ibb h TYR 477 CO 0.05 0.92 -0.06 1.05 -1.32 0.00 0.00 178.16 178.81 3ibb h GLU 478 N 0.37 0.58 -0.31 1.82 4.11 -1.45 4.13 114.58 123.83 3ibb h GLU 478 Ca 0.05 -0.21 -0.02 0.00 0.07 0.00 0.00 59.36 59.24 3ibb h GLU 478 Cb 0.77 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 3ibb h GLU 478 CO 0.06 0.76 0.10 -0.44 0.07 0.00 0.00 179.01 179.55 3ibb h ASP 479 N 0.35 0.45 0.06 3.06 5.19 -1.53 -1.10 116.42 122.91 3ibb h ASP 479 Ca 0.08 -0.20 -0.00 0.00 -0.62 0.00 0.00 57.03 56.28 3ibb h ASP 479 Cb 0.54 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.93 3ibb h ASP 479 CO 0.03 0.54 -0.03 0.00 -3.12 0.00 0.00 179.24 176.65 3ibb h ALA 480 N 0.93 -0.09 0.00 3.45 0.00 -1.24 -3.42 119.26 118.89 3ibb h ALA 480 Ca 0.10 -0.12 -0.31 0.00 0.00 0.00 0.00 54.91 54.58 3ibb h ALA 480 Cb 0.24 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 3ibb h ALA 480 CO -0.00 -0.43 -2.17 1.28 0.00 0.00 0.00 179.25 177.92 3ibb n LEU 481 N -5.02 2.96 -3.99 0.00 4.32 1.36 -4.75 117.00 111.88 3ibb n LEU 481 Ca -0.08 -0.11 -0.42 0.00 -0.02 0.00 0.00 56.01 55.37 3ibb n LEU 481 Cb 0.16 -0.71 0.00 0.00 -1.62 0.00 0.00 43.42 41.25 3ibb n LEU 481 CO 0.33 0.84 2.37 0.18 -1.22 0.00 0.00 177.39 179.89 3ibb n LEU 482 N -3.10 6.30 -3.53 2.23 4.32 -0.42 -4.55 117.00 118.25 3ibb n LEU 482 Ca -0.36 -4.16 -0.15 0.00 -0.02 0.00 0.00 56.01 51.31 3ibb n LEU 482 Cb 0.89 -1.66 -0.05 0.00 -1.62 0.00 0.00 43.42 40.98 3ibb n LEU 482 CO 0.21 0.89 0.36 0.54 -1.22 0.00 0.00 177.39 178.17 3ibb s ASN 483 N 3.15 -0.55 -1.37 -1.43 2.20 -1.26 -4.69 114.94 110.98 3ibb s ASN 483 Ca 0.48 0.37 -0.13 0.00 -0.94 0.00 0.00 52.86 52.63 3ibb s ASN 483 Cb 0.10 0.52 0.08 0.00 -2.00 0.00 0.00 41.25 39.96 3ibb s ASN 483 CO -0.03 -0.71 2.02 -0.81 -2.94 0.00 0.00 177.10 174.63 3ibb n PRO 484 N 0.51 3.13 0.00 3.55 -0.04 -0.47 -3.91 135.00 137.77 3ibb n PRO 484 Ca -0.18 -3.02 0.00 0.00 -0.04 0.00 0.00 63.50 60.26 3ibb n PRO 484 Cb 0.60 -3.22 0.00 0.00 -0.04 0.00 0.00 33.50 30.84 3ibb n PRO 484 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3ibb n TYR 485 N 5.87 0.00 -0.30 0.54 4.01 -1.26 -4.66 117.16 121.35 3ibb n TYR 485 Ca 0.48 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 58.17 3ibb n TYR 485 Cb 0.40 0.02 0.07 0.00 -0.31 0.00 0.00 39.34 39.52 3ibb n TYR 485 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3ibb h THR 486 N 0.00 1.24 -0.45 -0.72 2.02 -1.90 -2.72 112.91 110.39 3ibb h THR 486 Ca 0.00 -0.61 -0.00 0.00 0.77 0.00 0.00 66.41 66.57 3ibb h THR 486 Cb 0.88 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 3ibb h THR 486 CO 0.00 0.27 0.26 0.00 0.37 0.00 0.00 175.52 176.43 3ibb h ALA 487 N 1.24 0.57 -0.56 6.16 0.00 -1.86 -2.97 119.26 121.85 3ibb h ALA 487 Ca 0.29 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3ibb h ALA 487 Cb 0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3ibb h ALA 487 CO -0.05 0.07 0.12 0.00 0.00 0.00 0.00 179.25 179.39 3ibb h ALA 488 N 1.12 1.16 -0.29 0.00 0.00 -1.76 0.19 119.26 119.67 3ibb h ALA 488 Ca 0.16 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3ibb h ALA 488 Cb 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3ibb h ALA 488 CO -0.03 0.57 0.15 0.93 0.00 0.00 0.00 179.25 180.87 3ibb h GLU 489 N 0.84 0.31 0.00 0.00 5.08 -1.37 0.12 114.58 119.55 3ibb h GLU 489 Ca 0.18 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 3ibb h GLU 489 Cb 0.33 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 3ibb h GLU 489 CO 0.00 0.20 -0.14 0.00 -1.00 0.00 0.00 179.01 178.08 3ibb h ARG 490 N 0.32 0.00 0.00 2.33 2.47 -0.61 -3.46 114.38 115.43 3ibb h ARG 490 Ca 0.12 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 3ibb h ARG 490 Cb 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 3ibb h ARG 490 CO -0.07 0.14 0.00 0.41 0.56 0.00 0.00 179.97 181.00 3ibb n GLY 491 N -0.88 0.78 0.36 0.04 0.00 0.40 -4.90 105.19 101.00 3ibb n GLY 491 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.05 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 0.95 -3.49 1.61 0.05 -1.45 -3.39 116.97 111.25 3ibb h TYR 492 Ca 0.00 0.02 -0.62 0.00 0.05 0.00 0.00 58.73 58.18 3ibb h TYR 492 Cb 0.00 -0.31 -0.16 0.00 1.01 0.00 0.00 36.73 37.27 3ibb h TYR 492 CO 0.00 0.48 -0.53 0.14 -1.05 0.00 0.00 178.16 177.19 3ibb s VAL 493 N -5.82 5.08 0.21 -2.88 -7.23 -1.22 -4.62 120.40 103.92 3ibb s VAL 493 Ca -0.11 0.08 -0.10 0.00 -1.81 0.00 0.00 61.98 60.04 3ibb s VAL 493 Cb 0.20 -3.35 0.14 0.00 0.56 0.00 0.00 36.38 33.94 3ibb s VAL 493 CO 0.79 0.38 1.86 0.44 -0.31 0.00 0.00 175.10 178.27 3ibb h ASP 494 N 7.33 0.79 -5.02 4.85 5.19 -1.62 -3.43 116.42 124.51 3ibb h ASP 494 Ca -0.38 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.00 3ibb h ASP 494 Cb 1.17 -0.19 -0.12 0.00 0.18 0.00 0.00 39.33 40.37 3ibb h ASP 494 CO 0.66 0.56 0.15 0.00 -3.12 0.00 0.00 179.24 177.50 3ibb s ALA 495 N -6.13 -1.45 -0.28 3.45 0.00 -0.96 -5.02 121.76 111.36 3ibb s ALA 495 Ca -0.13 0.35 -0.07 0.00 0.00 0.00 0.00 51.96 52.11 3ibb s ALA 495 Cb 0.15 0.85 0.00 0.00 0.00 0.00 0.00 23.12 24.12 3ibb s ALA 495 CO 0.77 -0.76 0.07 0.08 0.00 0.00 0.00 175.76 175.93 3ibb s VAL 496 N -3.77 4.00 0.08 0.00 1.01 -1.26 -2.11 120.40 118.35 3ibb s VAL 496 Ca 0.02 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.49 3ibb s VAL 496 Cb -0.01 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 3ibb s VAL 496 CO -0.12 0.15 -0.21 0.27 0.00 0.00 0.00 175.10 175.19 3ibb s ILE 497 N 1.52 1.67 0.67 2.22 -4.36 -1.03 -4.99 121.20 116.91 3ibb s ILE 497 Ca 0.04 -1.38 -0.15 0.00 -0.26 0.00 0.00 60.65 58.90 3ibb s ILE 497 Cb -0.17 -1.49 0.01 0.00 1.25 0.00 0.00 42.46 42.06 3ibb s ILE 497 CO 0.02 0.05 1.13 -0.32 0.24 0.00 0.00 174.94 176.06 3ibb s MET 498 N -1.57 2.66 0.22 0.37 -2.45 -1.26 -4.34 119.30 112.94 3ibb s MET 498 Ca 0.07 1.45 -0.08 0.00 -1.25 0.00 0.00 55.69 55.87 3ibb s MET 498 Cb -0.09 -1.93 0.23 0.00 1.25 0.00 0.00 34.83 34.29 3ibb s MET 498 CO 0.03 -1.37 1.86 -1.35 1.05 0.00 0.00 175.02 175.25 3ibb h PRO 499 N -0.06 0.94 -0.65 4.11 0.11 -1.94 -1.66 132.00 132.84 3ibb h PRO 499 Ca -0.47 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 3ibb h PRO 499 Cb 1.25 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 3ibb h PRO 499 CO 0.53 0.62 0.17 0.66 -0.21 0.00 0.00 178.00 179.77 3ibb h SER 500 N 0.96 0.96 0.00 -2.05 4.64 -1.87 -1.40 113.55 114.80 3ibb h SER 500 Ca 0.31 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3ibb h SER 500 Cb 0.02 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 61.86 3ibb h SER 500 CO -0.12 0.92 0.00 0.47 -0.87 0.00 0.00 176.83 177.23 3ibb n ASP 501 N -4.25 0.67 0.08 4.97 8.00 -0.63 -3.35 116.55 122.04 3ibb n ASP 501 Ca 0.05 -1.44 -0.09 0.00 0.71 0.00 0.00 54.79 54.02 3ibb n ASP 501 Cb 0.24 -0.33 -0.04 0.00 -0.02 0.00 0.00 41.12 40.97 3ibb n ASP 501 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3ibb h THR 502 N 0.00 1.52 0.01 -3.53 2.02 -1.32 -2.40 112.91 109.20 3ibb h THR 502 Ca 0.00 -2.78 -0.00 0.00 0.77 0.00 0.00 66.41 64.40 3ibb h THR 502 Cb 0.33 2.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 3ibb h THR 502 CO 0.00 0.81 -0.00 -0.09 0.37 0.00 0.00 175.52 176.60 3ibb h ARG 503 N 0.09 -0.01 -0.46 6.66 2.43 -1.80 -2.72 114.38 118.57 3ibb h ARG 503 Ca -0.05 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.00 3ibb h ARG 503 Cb 1.59 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.13 3ibb h ARG 503 CO 0.14 0.17 -0.18 0.07 -1.51 0.00 0.00 179.97 178.66 3ibb h ARG 504 N -0.18 0.93 -0.63 0.20 0.11 -1.79 -2.78 114.38 110.24 3ibb h ARG 504 Ca -0.00 -0.39 -0.06 0.00 0.10 0.00 0.00 59.98 59.63 3ibb h ARG 504 Cb 0.18 -0.04 -0.03 0.00 1.11 0.00 0.00 29.97 31.19 3ibb h ARG 504 CO 0.00 1.05 0.16 0.45 0.10 0.00 0.00 179.97 181.73 3ibb h HIS 505 N 0.78 1.05 -0.61 4.08 3.86 -1.55 -0.30 115.15 122.45 3ibb h HIS 505 Ca 0.11 -0.12 -0.05 0.00 -1.16 0.00 0.00 60.37 59.14 3ibb h HIS 505 Cb 0.75 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.90 3ibb h HIS 505 CO 0.05 0.87 0.18 0.82 0.86 0.00 0.00 177.93 180.72 3ibb h ILE 506 N 0.92 1.25 -0.28 2.45 2.04 -1.57 -1.36 117.51 120.94 3ibb h ILE 506 Ca 0.20 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 3ibb h ILE 506 Cb 0.35 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3ibb h ILE 506 CO 0.00 0.32 0.10 0.58 0.00 0.00 0.00 178.15 179.16 3ibb h VAL 507 N 0.87 1.19 -0.44 1.67 2.07 -1.53 0.44 116.25 120.53 3ibb h VAL 507 Ca 0.20 -0.59 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 3ibb h VAL 507 Cb 0.31 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3ibb h VAL 507 CO -0.00 0.20 0.11 0.03 0.02 0.00 0.00 177.57 177.92 3ibb h ARG 508 N 0.30 0.70 -0.38 1.57 3.08 -1.07 -2.99 114.38 115.60 3ibb h ARG 508 Ca 0.09 -0.17 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 3ibb h ARG 508 Cb 0.21 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3ibb h ARG 508 CO -0.01 0.70 -0.08 0.78 -1.07 0.00 0.00 179.97 180.30 3ibb h GLY 509 N 0.57 0.68 1.34 0.04 0.00 -1.25 -2.73 103.07 101.73 3ibb h GLY 509 Ca 0.14 -0.47 0.02 0.00 0.00 0.00 0.00 47.33 47.01 3ibb h GLY 509 CO 0.00 0.44 0.41 1.41 0.00 0.00 0.00 176.54 178.80 3ibb h LEU 510 N 0.59 0.67 -0.66 3.11 3.38 -0.17 -1.46 115.31 120.77 3ibb h LEU 510 Ca 0.11 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3ibb h LEU 510 Cb 0.49 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3ibb h LEU 510 CO 0.03 0.48 0.31 0.03 0.09 0.00 0.00 178.44 179.37 3ibb h ARG 511 N 0.79 0.96 -0.37 1.13 2.47 -1.33 -1.71 114.38 116.31 3ibb h ARG 511 Ca 0.24 -0.15 -0.06 0.00 -1.26 0.00 0.00 59.98 58.75 3ibb h ARG 511 Cb -0.02 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.12 3ibb h ARG 511 CO -0.06 0.77 0.00 1.96 0.56 0.00 0.00 179.97 183.20 3ibb h GLN 512 N 0.92 0.66 0.00 0.04 1.08 -1.39 -3.36 115.11 113.05 3ibb h GLN 512 Ca 0.23 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3ibb h GLN 512 Cb 0.14 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 3ibb h GLN 512 CO -0.03 0.76 0.00 1.28 -0.95 0.00 0.00 178.83 179.89 3ibb n LEU 513 N -4.48 0.00 -0.28 1.46 4.77 -0.57 -3.76 117.00 114.13 3ibb n LEU 513 Ca -0.01 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.98 3ibb n LEU 513 Cb 0.28 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.58 3ibb n LEU 513 CO 0.40 0.00 1.26 0.03 -1.33 0.00 0.00 177.39 177.75 3ibb h ARG 514 N 0.00 1.06 -5.14 3.23 3.08 -1.50 -3.41 114.38 111.70 3ibb h ARG 514 Ca 0.00 -0.06 -0.66 0.00 0.07 0.00 0.00 59.98 59.33 3ibb h ARG 514 Cb 0.00 -0.24 -0.28 0.00 0.08 0.00 0.00 29.97 29.53 3ibb h ARG 514 CO 0.00 0.70 -0.76 0.95 -1.07 0.00 0.00 179.97 179.79 3ibb s THR 515 N -5.93 3.04 0.04 2.04 -4.23 -1.25 -5.00 115.64 104.36 3ibb s THR 515 Ca -0.12 -0.63 -0.01 0.00 -1.18 0.00 0.00 61.69 59.75 3ibb s THR 515 Cb 0.19 -2.33 -0.03 0.00 1.34 0.00 0.00 72.50 71.67 3ibb s THR 515 CO 0.80 0.48 -0.01 -0.75 -0.54 0.00 0.00 174.62 174.60 3ibb s LYS 516 N 0.96 0.51 0.02 3.99 2.20 -1.26 -5.13 119.74 121.04 3ibb s LYS 516 Ca -0.02 -0.96 -0.09 0.00 -0.36 0.00 0.00 55.97 54.54 3ibb s LYS 516 Cb -0.15 0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.36 3ibb s LYS 516 CO -0.01 -0.10 0.19 -0.98 -0.36 0.00 0.00 175.35 174.09 3ibb s ARG 517 N -2.95 0.61 -0.10 4.03 1.70 -1.26 -5.13 118.95 115.85 3ibb s ARG 517 Ca -0.02 -0.50 -0.21 0.00 -0.47 0.00 0.00 55.73 54.54 3ibb s ARG 517 Cb 0.01 0.26 0.05 0.00 -0.57 0.00 0.00 34.95 34.69 3ibb s ARG 517 CO -0.06 -0.17 0.50 -1.21 -1.08 0.00 0.00 175.30 173.28 3ibb s GLU 518 N -1.99 0.75 -0.07 3.89 0.41 -1.26 -5.12 118.70 115.32 3ibb s GLU 518 Ca -0.10 0.31 0.02 0.00 -0.41 0.00 0.00 54.97 54.79 3ibb s GLU 518 Cb -0.04 0.35 0.02 0.00 -1.78 0.00 0.00 34.13 32.68 3ibb s GLU 518 CO -0.01 -0.18 -0.10 0.45 -0.49 0.00 0.00 175.26 174.93 3ibb s SER 519 N -0.63 1.75 0.04 -0.19 0.15 -1.26 -5.14 113.70 108.43 3ibb s SER 519 Ca -0.07 -0.28 -0.06 0.00 0.70 0.00 0.00 55.95 56.24 3ibb s SER 519 Cb -0.03 -0.78 -0.01 0.00 -1.71 0.00 0.00 66.02 63.48 3ibb s SER 519 CO 0.04 -0.01 0.11 -0.76 1.20 0.00 0.00 173.24 173.82 3ibb s LEU 520 N 0.89 1.76 0.30 3.45 1.02 -1.26 -5.12 118.68 119.71 3ibb s LEU 520 Ca -0.11 -0.53 -0.30 0.00 0.02 0.00 0.00 54.13 53.22 3ibb s LEU 520 Cb -0.15 0.64 -0.11 0.00 0.02 0.00 0.00 46.19 46.59 3ibb s LEU 520 CO 0.01 -0.52 1.55 -2.84 0.02 0.00 0.00 176.35 174.57 3ibb s PRO 521 N -2.65 4.15 0.12 1.29 0.02 -1.26 -4.75 135.00 131.92 3ibb s PRO 521 Ca -0.05 2.53 -0.31 0.00 0.02 0.00 0.00 61.00 63.19 3ibb s PRO 521 Cb -0.01 -3.03 -0.10 0.00 0.02 0.00 0.00 34.50 31.38 3ibb s PRO 521 CO -0.05 -0.58 1.85 -1.25 -0.33 0.00 0.00 177.00 176.65 3ibb s PRO 522 N -0.72 4.13 0.01 5.54 0.04 -1.26 -4.94 135.00 137.80 3ibb s PRO 522 Ca 0.61 2.62 0.02 0.00 0.04 0.00 0.00 61.00 64.29 3ibb s PRO 522 Cb -0.46 -3.62 -0.01 0.00 0.04 0.00 0.00 34.50 30.45 3ibb s PRO 522 CO 0.49 -0.86 -0.06 -1.59 0.04 0.00 0.00 177.00 175.02 3ibb s LYS 523 N 2.82 0.48 0.15 4.56 -2.85 -1.26 -5.04 119.74 118.59 3ibb s LYS 523 Ca 0.82 -0.38 -0.16 0.00 -1.00 0.00 0.00 55.97 55.24 3ibb s LYS 523 Cb -0.46 -0.40 0.03 0.00 -2.06 0.00 0.00 37.83 34.94 3ibb s LYS 523 CO 0.37 0.10 1.78 0.87 0.10 0.00 0.00 175.35 178.57 3ibb h LYS 524 N 5.52 0.38 -2.72 1.78 1.57 -2.04 -3.43 116.57 117.63 3ibb h LYS 524 Ca -0.31 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.53 3ibb h LYS 524 Cb 1.19 -0.09 -0.09 0.00 0.08 0.00 0.00 32.23 33.33 3ibb h LYS 524 CO 0.47 0.25 0.33 -3.38 -0.57 0.00 0.00 179.45 176.55 3ibb s HIS 525 N -6.16 -0.29 0.76 -1.35 -3.43 -1.26 -5.19 115.29 98.37 3ibb s HIS 525 Ca -0.13 -0.01 -0.11 0.00 -0.80 0.00 0.00 55.06 54.01 3ibb s HIS 525 Cb 0.11 0.63 0.05 0.00 -1.43 0.00 0.00 32.58 31.94 3ibb s HIS 525 CO 0.71 -0.92 1.08 0.20 -2.00 0.00 0.00 174.74 173.81 3ibb s GLY 526 N -2.81 1.65 -0.64 -1.38 0.00 -1.26 -5.03 107.32 97.84 3ibb s GLY 526 Ca 0.08 -0.02 0.05 0.00 0.00 0.00 0.00 44.72 44.83 3ibb s GLY 526 CO -0.02 0.36 0.58 -2.01 0.00 0.00 0.00 173.10 172.01 3ibb n ASN 527 N -3.36 2.87 -4.77 1.64 4.05 -1.26 -5.06 115.26 109.36 3ibb n ASN 527 Ca 0.07 -3.21 -0.41 0.00 0.45 0.00 0.00 54.58 51.49 3ibb n ASN 527 Cb 0.55 -0.70 -0.01 0.00 1.23 0.00 0.00 39.78 40.84 3ibb n ASN 527 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 3ibb s ILE 528 N -1.71 2.31 0.38 -1.44 2.07 -1.26 -4.97 121.20 116.58 3ibb s ILE 528 Ca 0.32 0.31 -0.28 0.00 -1.41 0.00 0.00 60.65 59.59 3ibb s ILE 528 Cb 0.05 -3.20 -0.10 0.00 0.13 0.00 0.00 42.46 39.34 3ibb s ILE 528 CO -0.11 0.07 1.40 -2.84 -1.91 0.00 0.00 174.94 171.55 3ibb s PRO 529 N -2.00 4.11 0.00 3.50 0.02 -1.26 -5.15 135.00 134.22 3ibb s PRO 529 Ca 0.52 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.92 3ibb s PRO 529 Cb -0.44 -2.93 0.00 0.00 0.02 0.00 0.00 34.50 31.15 3ibb s PRO 529 CO 0.59 -0.46 0.24 1.28 -0.33 0.00 0.00 177.00 178.32