#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 0.07 -0.23 5.18 0.13 -1.26 -4.66 119.36 118.59 3ibb n ILE 11 Ca 0.00 -0.08 -0.08 0.00 -1.10 0.00 0.00 62.75 61.49 3ibb n ILE 11 Cb 0.00 -0.13 0.04 0.00 -0.84 0.00 0.00 39.64 38.70 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 1.19 -3.99 9.51 3.86 -2.01 -3.41 115.15 120.30 3ibb h HIS 12 Ca -0.03 -0.18 -0.52 0.00 -1.16 0.00 0.00 60.37 58.48 3ibb h HIS 12 Cb 0.55 -0.32 0.09 0.00 1.06 0.00 0.00 27.41 28.78 3ibb h HIS 12 CO 0.00 1.01 0.56 -0.08 0.86 0.00 0.00 177.93 180.28 3ibb s THR 13 N -5.15 2.67 0.17 2.45 -1.32 -1.26 -4.90 115.64 108.30 3ibb s THR 13 Ca -0.12 0.54 0.23 0.00 -1.21 0.00 0.00 61.69 61.13 3ibb s THR 13 Cb 0.14 -3.29 0.21 0.00 -1.51 0.00 0.00 72.50 68.05 3ibb s THR 13 CO 0.86 0.03 1.82 0.74 -2.21 0.00 0.00 174.62 175.86 3ibb h THR 14 N 2.00 0.66 -0.40 5.08 2.02 -1.98 0.13 112.91 120.42 3ibb h THR 14 Ca -0.50 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 65.50 3ibb h THR 14 Cb 1.26 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 69.42 3ibb h THR 14 CO 0.60 0.26 0.27 0.00 0.37 0.00 0.00 175.52 177.01 3ibb h ALA 15 N 1.74 0.51 -0.01 6.16 0.00 -1.97 -2.87 119.26 122.82 3ibb h ALA 15 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ibb h ALA 15 Cb 0.75 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3ibb h ALA 15 CO 0.03 -0.04 -0.59 0.41 0.00 0.00 0.00 179.25 179.06 3ibb n GLY 16 N -1.21 -0.28 0.35 0.00 0.00 -1.15 -4.42 105.19 98.49 3ibb n GLY 16 Ca 0.01 -0.61 -0.04 0.00 0.00 0.00 0.00 46.02 45.37 3ibb n GLY 16 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ibb h LYS 17 N 1.72 1.22 -0.92 1.61 3.64 -0.72 -0.22 116.57 122.89 3ibb h LYS 17 Ca 0.00 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3ibb h LYS 17 Cb 0.67 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 32.23 3ibb h LYS 17 CO 0.00 0.92 0.56 -0.07 -2.27 0.00 0.00 179.45 178.59 3ibb h LEU 18 N 1.21 1.10 -1.34 5.20 3.38 -1.77 -2.13 115.31 120.96 3ibb h LEU 18 Ca 0.30 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 3ibb h LEU 18 Cb 0.09 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3ibb h LEU 18 CO -0.04 0.84 0.25 0.00 0.09 0.00 0.00 178.44 179.58 3ibb h ALA 19 N 1.31 1.49 -0.13 1.53 0.00 -1.29 2.86 119.26 125.02 3ibb h ALA 19 Ca 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3ibb h ALA 19 Cb -0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3ibb h ALA 19 CO -0.06 0.41 0.06 0.22 0.00 0.00 0.00 179.25 179.88 3ibb h ASP 20 N 0.71 0.16 -0.49 0.00 3.58 -1.12 -0.69 116.42 118.56 3ibb h ASP 20 Ca 0.18 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.60 3ibb h ASP 20 Cb 0.07 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 3ibb h ASP 20 CO -0.03 0.14 0.23 0.25 -2.88 0.00 0.00 179.24 176.96 3ibb h LEU 21 N 0.18 0.64 -0.81 2.28 5.85 0.52 -2.17 115.31 121.80 3ibb h LEU 21 Ca 0.05 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 3ibb h LEU 21 Cb 0.03 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 3ibb h LEU 21 CO -0.01 0.59 0.28 0.03 -0.34 0.00 0.00 178.44 178.99 3ibb h ARG 22 N 0.64 1.16 -0.84 1.25 3.08 -0.92 0.15 114.38 118.90 3ibb h ARG 22 Ca 0.17 -0.23 0.01 0.00 0.07 0.00 0.00 59.98 60.00 3ibb h ARG 22 Cb 0.12 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 3ibb h ARG 22 CO -0.02 0.96 0.55 -0.09 -1.07 0.00 0.00 179.97 180.30 3ibb h ARG 23 N 1.12 1.10 -0.20 0.04 2.43 -1.14 0.33 114.38 118.06 3ibb h ARG 23 Ca 0.25 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 3ibb h ARG 23 Cb 0.25 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3ibb h ARG 23 CO -0.02 0.73 -0.01 0.00 -1.51 0.00 0.00 179.97 179.17 3ibb h ARG 24 N 1.13 0.35 -0.47 0.20 3.08 -0.79 -2.96 114.38 114.92 3ibb h ARG 24 Ca 0.31 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 3ibb h ARG 24 Cb -0.13 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 3ibb h ARG 24 CO -0.07 0.56 0.15 0.82 -1.07 0.00 0.00 179.97 180.36 3ibb h ILE 25 N 0.10 1.22 -0.73 2.04 2.04 -0.34 0.02 117.51 121.86 3ibb h ILE 25 Ca 0.05 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 3ibb h ILE 25 Cb 0.40 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 3ibb h ILE 25 CO 0.01 0.27 0.36 1.05 0.00 0.00 0.00 178.15 179.84 3ibb h GLU 26 N 0.62 1.04 -0.31 2.37 -0.00 -0.48 -2.71 114.58 115.11 3ibb h GLU 26 Ca 0.15 -0.14 -0.03 0.00 -0.00 0.00 0.00 59.36 59.34 3ibb h GLU 26 Cb 0.27 -0.19 -0.01 0.00 -0.00 0.00 0.00 28.75 28.81 3ibb h GLU 26 CO -0.01 0.80 0.08 1.49 -0.00 0.00 0.00 179.01 181.37 3ibb h GLU 27 N 1.04 0.50 -0.49 1.06 4.81 -1.32 -3.26 114.58 116.91 3ibb h GLU 27 Ca 0.25 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 3ibb h GLU 27 Cb 0.10 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3ibb h GLU 27 CO -0.03 0.56 0.14 0.00 -0.73 0.00 0.00 179.01 178.95 3ibb h ALA 28 N 0.91 1.32 -0.47 2.92 0.00 -0.72 0.49 119.26 123.71 3ibb h ALA 28 Ca 0.10 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3ibb h ALA 28 Cb 0.29 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3ibb h ALA 28 CO 0.00 0.49 0.18 1.79 0.00 0.00 0.00 179.25 181.72 3ibb h THR 29 N 0.72 1.18 -0.53 0.00 1.35 -1.56 -3.04 112.91 111.03 3ibb h THR 29 Ca 0.16 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 3ibb h THR 29 Cb 0.24 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 67.28 3ibb h THR 29 CO -0.01 0.21 0.00 1.41 -0.25 0.00 0.00 175.52 176.89 3ibb n HIS 30 N -4.36 1.21 -1.73 4.73 -0.00 0.17 -5.00 115.22 110.24 3ibb n HIS 30 Ca 0.03 -0.48 -0.42 0.00 -0.00 0.00 0.00 57.72 56.85 3ibb n HIS 30 Cb 0.15 -0.20 -0.00 0.00 -0.00 0.00 0.00 29.99 29.93 3ibb n HIS 30 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3ibb n ALA 31 N 0.90 1.82 0.00 -1.41 0.00 -0.73 -4.72 120.51 116.36 3ibb n ALA 31 Ca 0.21 0.35 0.00 0.00 0.00 0.00 0.00 53.44 54.00 3ibb n ALA 31 Cb 0.74 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.86 3ibb n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ibb n GLY 32 N 0.69 0.14 3.73 0.00 0.00 -1.26 -4.81 105.19 103.68 3ibb n GLY 32 Ca 0.03 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 3ibb n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ibb s SER 33 N -1.80 6.39 0.40 1.61 0.01 -1.26 -4.85 113.70 114.21 3ibb s SER 33 Ca 0.00 2.88 0.08 0.00 1.31 0.00 0.00 55.95 60.22 3ibb s SER 33 Cb 0.00 -2.61 0.83 0.00 0.21 0.00 0.00 66.02 64.45 3ibb s SER 33 CO 0.00 -0.94 1.99 0.00 0.41 0.00 0.00 173.24 174.70 3ibb h ALA 34 N 6.16 1.62 -0.86 1.44 0.00 -1.91 -2.82 119.26 122.89 3ibb h ALA 34 Ca -0.44 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 3ibb h ALA 34 Cb 1.21 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 3ibb h ALA 34 CO 0.90 0.30 0.45 -0.09 0.00 0.00 0.00 179.25 180.81 3ibb h ARG 35 N 0.40 1.21 -0.99 0.00 2.43 -2.01 -1.34 114.38 114.08 3ibb h ARG 35 Ca 0.10 -0.16 0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3ibb h ARG 35 Cb 0.14 -0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 29.41 3ibb h ARG 35 CO -0.01 0.90 0.66 0.00 -1.51 0.00 0.00 179.97 180.01 3ibb h ALA 36 N 1.24 1.26 -0.53 2.80 0.00 -1.87 -2.54 119.26 119.62 3ibb h ALA 36 Ca 0.30 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 3ibb h ALA 36 Cb 0.06 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3ibb h ALA 36 CO -0.04 0.64 0.02 0.28 0.00 0.00 0.00 179.25 180.14 3ibb h VAL 37 N 1.34 1.25 -0.57 0.00 2.07 -1.14 -0.20 116.25 119.00 3ibb h VAL 37 Ca 0.37 -1.03 0.04 0.00 0.82 0.00 0.00 66.70 66.90 3ibb h VAL 37 Cb -0.15 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3ibb h VAL 37 CO -0.08 0.37 0.38 -0.33 0.02 0.00 0.00 177.57 177.92 3ibb h GLU 38 N 0.82 0.59 -0.61 1.57 5.08 -0.96 0.23 114.58 121.31 3ibb h GLU 38 Ca 0.16 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3ibb h GLU 38 Cb 0.47 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 3ibb h GLU 38 CO 0.02 0.39 0.29 -0.22 -1.00 0.00 0.00 179.01 178.49 3ibb h LYS 39 N 0.61 0.88 -0.65 2.33 3.64 -0.91 0.81 116.57 123.28 3ibb h LYS 39 Ca 0.23 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 3ibb h LYS 39 Cb 0.17 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 3ibb h LYS 39 CO -0.06 0.71 0.23 0.37 -2.27 0.00 0.00 179.45 178.43 3ibb h GLN 40 N 0.84 1.00 -0.72 1.90 5.75 -0.97 -2.93 115.11 119.97 3ibb h GLN 40 Ca 0.21 -0.20 -0.04 0.00 -0.15 0.00 0.00 58.65 58.48 3ibb h GLN 40 Cb 0.12 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.48 3ibb h GLN 40 CO -0.03 0.85 0.31 0.45 -2.65 0.00 0.00 178.83 177.76 3ibb h HIS 41 N 0.93 1.07 -0.59 3.99 3.86 0.14 -2.80 115.15 121.75 3ibb h HIS 41 Ca 0.21 -0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.33 3ibb h HIS 41 Cb 0.25 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.37 3ibb h HIS 41 CO 0.02 0.80 0.24 0.00 0.86 0.00 0.00 177.93 179.84 3ibb h ALA 42 N 1.29 1.31 -0.02 2.45 0.00 0.61 0.27 119.26 125.17 3ibb h ALA 42 Ca 0.25 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3ibb h ALA 42 Cb 0.17 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3ibb h ALA 42 CO -0.02 0.52 0.02 -0.22 0.00 0.00 0.00 179.25 179.54 3ibb h LYS 43 N 0.84 0.00 0.00 0.00 3.11 -1.31 -3.45 116.57 115.76 3ibb h LYS 43 Ca 0.20 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.04 3ibb h LYS 43 Cb 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.40 3ibb h LYS 43 CO -0.02 0.00 0.00 0.41 -2.81 0.00 0.00 179.45 177.03 3ibb n GLY 44 N -1.46 1.06 3.48 5.01 0.00 0.08 -5.11 105.19 108.25 3ibb n GLY 44 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 3ibb n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ibb s LYS 45 N -0.76 2.21 0.77 1.61 1.02 -1.12 -4.91 119.74 118.55 3ibb s LYS 45 Ca 0.00 -0.90 -0.09 0.00 0.02 0.00 0.00 55.97 55.00 3ibb s LYS 45 Cb 0.00 -2.26 0.10 0.00 -0.52 0.00 0.00 37.83 35.15 3ibb s LYS 45 CO 0.00 0.56 1.10 -0.51 -0.92 0.00 0.00 175.35 175.58 3ibb s LEU 46 N -1.31 2.77 0.37 3.17 1.02 -1.26 -3.95 118.68 119.49 3ibb s LEU 46 Ca 0.14 0.38 0.08 0.00 0.02 0.00 0.00 54.13 54.75 3ibb s LEU 46 Cb -0.11 -2.86 -0.03 0.00 0.02 0.00 0.00 46.19 43.21 3ibb s LEU 46 CO 0.05 -1.89 0.25 -0.89 0.02 0.00 0.00 176.35 173.88 3ibb s THR 47 N -3.41 2.90 0.25 5.49 2.01 -1.26 -4.91 115.64 116.71 3ibb s THR 47 Ca 0.64 -1.53 -0.06 0.00 0.31 0.00 0.00 61.69 61.05 3ibb s THR 47 Cb -0.09 -3.03 0.25 0.00 0.01 0.00 0.00 72.50 69.64 3ibb s THR 47 CO 0.47 -0.10 1.93 0.00 -0.69 0.00 0.00 174.62 176.23 3ibb h ALA 48 N 1.31 1.26 -0.08 7.40 0.00 -1.92 0.98 119.26 128.21 3ibb h ALA 48 Ca -0.43 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.21 3ibb h ALA 48 Cb 1.26 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3ibb h ALA 48 CO 0.62 0.65 -0.78 0.00 0.00 0.00 0.00 179.25 179.74 3ibb h ARG 49 N 1.35 0.49 0.18 0.00 2.47 -1.96 0.41 114.38 117.32 3ibb h ARG 49 Ca 0.36 -0.42 -0.01 0.00 -1.26 0.00 0.00 59.98 58.66 3ibb h ARG 49 Cb -0.15 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.26 3ibb h ARG 49 CO -0.08 1.05 -0.09 0.93 0.56 0.00 0.00 179.97 182.35 3ibb h GLU 50 N 0.32 -0.24 -0.56 0.04 5.08 -1.74 0.23 114.58 117.72 3ibb h GLU 50 Ca -0.04 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 3ibb h GLU 50 Cb 1.37 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.66 3ibb h GLU 50 CO 0.14 -0.09 0.06 0.00 -1.00 0.00 0.00 179.01 178.12 3ibb h ARG 51 N -0.33 0.94 -0.48 2.33 3.08 0.98 -1.81 114.38 119.09 3ibb h ARG 51 Ca -0.03 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 59.72 3ibb h ARG 51 Cb 0.26 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3ibb h ARG 51 CO 0.04 0.92 0.17 0.82 -1.07 0.00 0.00 179.97 180.86 3ibb h ILE 52 N 0.83 1.22 -0.72 2.04 2.04 -0.11 -1.47 117.51 121.34 3ibb h ILE 52 Ca 0.17 -0.69 -0.07 0.00 1.00 0.00 0.00 64.86 65.27 3ibb h ILE 52 Cb 0.45 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 3ibb h ILE 52 CO 0.02 0.26 0.19 -0.78 0.00 0.00 0.00 178.15 177.83 3ibb h ASP 53 N 0.63 1.08 -0.15 1.72 3.58 -0.45 -2.61 116.42 120.23 3ibb h ASP 53 Ca 0.16 -0.22 -0.01 0.00 0.42 0.00 0.00 57.03 57.38 3ibb h ASP 53 Cb 0.23 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 3ibb h ASP 53 CO -0.01 1.02 0.06 0.25 -2.88 0.00 0.00 179.24 177.68 3ibb h LEU 54 N 1.09 0.20 -0.29 2.28 5.85 -1.28 -3.31 115.31 119.85 3ibb h LEU 54 Ca 0.23 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 3ibb h LEU 54 Cb 0.35 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3ibb h LEU 54 CO -0.00 0.29 -0.00 0.25 -0.34 0.00 0.00 178.44 178.64 3ibb h LEU 55 N 0.09 0.50-10.24 2.25 5.85 -1.24 -3.46 115.31 109.07 3ibb h LEU 55 Ca 0.05 -0.31 -0.49 0.00 0.84 0.00 0.00 57.88 57.97 3ibb h LEU 55 Cb 0.15 -0.13 0.04 0.00 0.37 0.00 0.00 40.66 41.08 3ibb h LEU 55 CO -0.00 0.69 0.39 -0.76 -0.34 0.00 0.00 178.44 178.41 3ibb s LEU 56 N -9.46 3.49 0.43 2.25 1.43 -0.99 -4.82 118.68 111.01 3ibb s LEU 56 Ca -0.13 1.58 -0.25 0.00 -1.03 0.00 0.00 54.13 54.29 3ibb s LEU 56 Cb 0.08 -4.50 -0.08 0.00 0.03 0.00 0.00 46.19 41.72 3ibb s LEU 56 CO 0.76 -0.79 1.27 -1.81 0.23 0.00 0.00 176.35 176.02 3ibb s ASP 57 N -3.32 6.21 0.26 2.29 1.01 0.11 -4.85 116.67 118.39 3ibb s ASP 57 Ca 0.59 2.58 -0.31 0.00 0.71 0.00 0.00 52.55 56.12 3ibb s ASP 57 Cb -0.11 -2.63 -0.12 0.00 1.01 0.00 0.00 42.92 41.07 3ibb s ASP 57 CO 0.39 -0.91 1.65 -0.70 0.21 0.00 0.00 175.17 175.81 3ibb s GLU 58 N -2.37 4.11 -1.61 8.23 2.12 -1.26 -1.19 118.70 126.73 3ibb s GLU 58 Ca 0.59 2.61 -0.03 0.00 0.36 0.00 0.00 54.97 58.50 3ibb s GLU 58 Cb -0.36 -3.04 0.01 0.00 0.26 0.00 0.00 34.13 31.00 3ibb s GLU 58 CO 0.46 -0.69 0.32 0.41 -0.54 0.00 0.00 175.26 175.21 3ibb n GLY 59 N 2.83 -0.51 0.31 -1.50 0.00 -1.26 -4.84 105.19 100.21 3ibb n GLY 59 Ca 0.11 0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.25 3ibb n GLY 59 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ibb n SER 60 N -2.26 2.62 -4.62 1.61 3.41 -0.34 -5.04 113.62 109.02 3ibb n SER 60 Ca -0.17 -2.49 -0.36 0.00 -0.26 0.00 0.00 58.87 55.60 3ibb n SER 60 Cb 0.64 -0.26 -0.10 0.00 -0.26 0.00 0.00 64.21 64.23 3ibb n SER 60 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3ibb s PHE 61 N -1.85 3.25 -0.14 7.33 5.36 -1.26 -4.06 117.98 126.62 3ibb s PHE 61 Ca 0.21 0.06 -0.06 0.00 -0.96 0.00 0.00 56.93 56.19 3ibb s PHE 61 Cb 0.16 -2.18 -0.04 0.00 -0.34 0.00 0.00 43.02 40.63 3ibb s PHE 61 CO 0.06 0.04 0.06 0.08 -1.46 0.00 0.00 175.22 174.00 3ibb s VAL 62 N 0.84 4.81 -0.21 3.12 1.01 -0.42 -4.88 120.40 124.67 3ibb s VAL 62 Ca 0.05 -0.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.90 3ibb s VAL 62 Cb -0.13 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 3ibb s VAL 62 CO 0.02 0.54 0.10 -0.70 0.00 0.00 0.00 175.10 175.07 3ibb s GLU 63 N -0.36 4.01 -0.06 2.72 2.12 -1.26 0.18 118.70 126.04 3ibb s GLU 63 Ca 0.09 -0.31 0.04 0.00 0.36 0.00 0.00 54.97 55.14 3ibb s GLU 63 Cb -0.12 -3.34 -0.02 0.00 0.26 0.00 0.00 34.13 30.90 3ibb s GLU 63 CO 0.02 0.18 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.24 3ibb s LEU 64 N 0.66 2.59 -1.24 2.70 1.43 -0.15 -4.61 118.68 120.05 3ibb s LEU 64 Ca 0.05 -0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 52.81 3ibb s LEU 64 Cb -0.13 -1.52 0.01 0.00 0.03 0.00 0.00 46.19 44.58 3ibb s LEU 64 CO 0.01 0.30 1.07 0.47 0.23 0.00 0.00 176.35 178.44 3ibb n ASP 65 N 2.61 -4.92 -0.04 2.29 8.00 -1.26 -4.55 116.55 118.68 3ibb n ASP 65 Ca -0.17 -0.53 -0.10 0.00 0.71 0.00 0.00 54.79 54.69 3ibb n ASP 65 Cb 0.52 -4.83 -0.04 0.00 -0.02 0.00 0.00 41.12 36.76 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 -2.34 0.24 -0.30 -1.24 4.81 -1.92 -3.04 114.58 110.79 3ibb h GLU 66 Ca -0.55 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 58.56 3ibb h GLU 66 Cb 1.34 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 3ibb h GLU 66 CO 0.51 0.19 -0.25 0.74 -0.73 0.00 0.00 179.01 179.47 3ibb h PHE 67 N 0.23 0.66 -2.36 0.92 -1.00 -1.92 -1.80 116.94 111.66 3ibb h PHE 67 Ca 0.07 -0.15 -0.60 0.00 2.81 0.00 0.00 57.97 60.09 3ibb h PHE 67 Cb 0.00 -0.16 0.07 0.00 3.61 0.00 0.00 35.95 39.48 3ibb h PHE 67 CO -0.06 0.78 0.57 0.00 -1.61 0.00 0.00 178.31 177.99 3ibb n ALA 68 N -2.49 0.60 -2.71 2.45 0.00 -1.15 -4.08 120.51 113.13 3ibb n ALA 68 Ca -0.00 0.44 -0.17 0.00 0.00 0.00 0.00 53.44 53.70 3ibb n ALA 68 Cb 0.42 -2.22 -0.14 0.00 0.00 0.00 0.00 19.45 17.50 3ibb n ALA 68 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3ibb s ARG 69 N -0.06 0.63 0.61 0.00 0.52 -1.26 -0.92 118.95 118.47 3ibb s ARG 69 Ca 0.73 -0.34 -0.18 0.00 -0.52 0.00 0.00 55.73 55.42 3ibb s ARG 69 Cb -0.72 -0.60 -0.02 0.00 0.52 0.00 0.00 34.95 34.13 3ibb s ARG 69 CO 0.48 0.16 1.17 -3.38 0.02 0.00 0.00 175.30 173.74 3ibb s HIS 70 N -0.31 2.46 -0.59 -0.53 -3.43 -1.26 -4.95 115.29 106.68 3ibb s HIS 70 Ca 0.02 1.54 0.06 0.00 -0.80 0.00 0.00 55.06 55.88 3ibb s HIS 70 Cb -0.04 -3.37 0.28 0.00 -1.43 0.00 0.00 32.58 28.02 3ibb s HIS 70 CO -0.00 -2.00 0.79 0.54 -2.00 0.00 0.00 174.74 172.07 3ibb n ARG 71 N -1.83 2.53 -4.35 -0.38 1.74 -1.26 -4.96 116.66 108.14 3ibb n ARG 71 Ca 0.12 -4.57 -0.20 0.00 -0.77 0.00 0.00 57.85 52.44 3ibb n ARG 71 Cb 0.50 -2.15 -0.15 0.00 -1.02 0.00 0.00 32.46 29.64 3ibb n ARG 71 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3ibb s SER 72 N -2.65 1.14 0.00 0.55 0.15 -1.26 -5.01 113.70 106.61 3ibb s SER 72 Ca 0.42 -0.17 0.14 0.00 0.70 0.00 0.00 55.95 57.03 3ibb s SER 72 Cb 0.19 -0.32 0.03 0.00 -1.71 0.00 0.00 66.02 64.22 3ibb s SER 72 CO -0.06 0.05 0.82 0.35 1.20 0.00 0.00 173.24 175.60 3ibb n THR 73 N 3.33 0.00 -1.92 6.45 -2.24 -1.26 -3.16 114.28 115.48 3ibb n THR 73 Ca -0.18 -0.40 -0.41 0.00 -2.27 0.00 0.00 64.05 60.78 3ibb n THR 73 Cb 0.54 1.20 -0.02 0.00 -2.10 0.00 0.00 70.33 69.95 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 -1.54 6.53 -1.45 3.42 0.01 -1.26 -3.21 114.94 117.45 3ibb s ASN 74 Ca 0.13 2.81 -0.10 0.00 -0.71 0.00 0.00 52.86 54.99 3ibb s ASN 74 Cb 0.11 -2.63 0.04 0.00 0.41 0.00 0.00 41.25 39.18 3ibb s ASN 74 CO 0.29 -0.78 1.00 0.49 -1.51 0.00 0.00 177.10 176.59 3ibb n PHE 75 N 1.93 -2.50 -3.37 2.20 3.72 -1.26 -2.01 117.46 116.16 3ibb n PHE 75 Ca 0.06 0.88 -0.24 0.00 -0.05 0.00 0.00 57.45 58.10 3ibb n PHE 75 Cb 0.39 -4.47 0.01 0.00 -0.94 0.00 0.00 39.48 34.48 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 -1.79 -0.50 0.10 1.37 0.00 -1.20 -4.78 105.19 98.39 3ibb n GLY 76 Ca 0.01 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.27 3ibb n GLY 76 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ibb n LEU 77 N -4.02 0.58 -0.15 0.99 7.94 -0.85 -3.21 117.00 118.27 3ibb n LEU 77 Ca -0.03 0.61 -0.01 0.00 -1.11 0.00 0.00 56.01 55.47 3ibb n LEU 77 Cb 0.56 -0.49 0.23 0.00 0.53 0.00 0.00 43.42 44.25 3ibb n LEU 77 CO 0.55 -0.38 1.09 -2.24 -1.11 0.00 0.00 177.39 175.30 3ibb h ASP 78 N 0.00 0.78 -0.95 1.96 3.04 -1.78 -3.22 116.42 116.26 3ibb h ASP 78 Ca 0.00 -0.08 0.04 0.00 -3.24 0.00 0.00 57.03 53.74 3ibb h ASP 78 Cb 0.46 -0.20 -0.06 0.00 -1.04 0.00 0.00 39.33 38.50 3ibb h ASP 78 CO 0.00 0.67 0.61 0.00 -2.04 0.00 0.00 179.24 178.49 3ibb h ALA 79 N 1.45 1.26 -3.26 4.15 0.00 -1.89 -3.40 119.26 117.56 3ibb h ALA 79 Ca 0.21 -0.04 -0.66 0.00 0.00 0.00 0.00 54.91 54.42 3ibb h ALA 79 Cb 0.11 -0.33 -0.27 0.00 0.00 0.00 0.00 17.79 17.30 3ibb h ALA 79 CO -0.03 0.48 -0.76 -0.80 0.00 0.00 0.00 179.25 178.15 3ibb s ASN 80 N -5.95 4.06 -0.48 0.00 0.01 -1.22 -5.03 114.94 106.34 3ibb s ASN 80 Ca -0.13 -0.34 0.04 0.00 -0.71 0.00 0.00 52.86 51.72 3ibb s ASN 80 Cb 0.18 -1.63 0.17 0.00 0.41 0.00 0.00 41.25 40.38 3ibb s ASN 80 CO 0.81 0.13 0.36 -0.13 -1.51 0.00 0.00 177.10 176.76 3ibb s ARG 81 N 0.55 1.26 0.77 -0.60 0.52 -1.26 -4.90 118.95 115.29 3ibb s ARG 81 Ca -0.08 -2.35 -0.11 0.00 -0.52 0.00 0.00 55.73 52.68 3ibb s ARG 81 Cb -0.15 -1.91 0.05 0.00 0.52 0.00 0.00 34.95 33.45 3ibb s ARG 81 CO 0.04 -1.34 1.08 -1.25 0.02 0.00 0.00 175.30 173.85 3ibb s PRO 82 N -0.22 2.32 0.12 3.54 0.04 -1.26 -4.93 135.00 134.62 3ibb s PRO 82 Ca 0.29 0.78 -0.30 0.00 0.04 0.00 0.00 61.00 61.81 3ibb s PRO 82 Cb -0.01 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.53 3ibb s PRO 82 CO -0.17 -1.49 1.17 0.71 0.04 0.00 0.00 177.00 177.26 3ibb s TYR 83 N -3.09 3.47 0.00 0.56 4.12 -1.26 -3.39 117.35 117.76 3ibb s TYR 83 Ca 0.60 1.41 0.00 0.00 0.02 0.00 0.00 57.07 59.10 3ibb s TYR 83 Cb -0.15 -3.39 0.00 0.00 -1.52 0.00 0.00 41.96 36.91 3ibb s TYR 83 CO 0.55 -1.09 0.00 0.41 0.02 0.00 0.00 175.55 175.43 3ibb n GLY 84 N 2.64 0.82 2.40 0.71 0.00 -0.10 -4.34 105.19 107.33 3ibb n GLY 84 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 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 -4.74 -3.54 1.61 2.03 -1.21 -0.96 116.55 109.75 3ibb n ASP 85 Ca 0.00 0.14 -0.24 0.00 0.52 0.00 0.00 54.79 55.20 3ibb n ASP 85 Cb 0.00 -4.02 0.07 0.00 -0.72 0.00 0.00 41.12 36.45 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 -0.83 -0.54 3.10 0.27 0.00 -1.26 -4.45 105.19 101.49 3ibb n GLY 86 Ca -0.19 0.23 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.29 0.35 -0.21 1.61 0.11 -0.13 -3.54 120.40 115.29 3ibb s VAL 87 Ca 0.55 -1.77 -0.04 0.00 -2.93 0.00 0.00 61.98 57.79 3ibb s VAL 87 Cb -0.25 -1.47 -0.01 0.00 -1.53 0.00 0.00 36.38 33.13 3ibb s VAL 87 CO 0.68 -0.92 -0.05 -0.69 -3.33 0.00 0.00 175.10 170.79 3ibb s VAL 88 N -3.64 3.35 -0.09 2.04 1.01 0.47 -4.83 120.40 118.71 3ibb s VAL 88 Ca 0.06 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.55 3ibb s VAL 88 Cb 0.06 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 33.94 3ibb s VAL 88 CO -0.08 0.43 -0.12 0.42 0.00 0.00 0.00 175.10 175.75 3ibb s THR 89 N 1.38 1.25 0.22 3.92 -4.23 -1.26 0.15 115.64 117.06 3ibb s THR 89 Ca 0.05 -0.49 -0.03 0.00 -1.18 0.00 0.00 61.69 60.03 3ibb s THR 89 Cb -0.14 -1.17 -0.03 0.00 1.34 0.00 0.00 72.50 72.50 3ibb s THR 89 CO -0.03 0.39 0.22 -0.83 -0.54 0.00 0.00 174.62 173.84 3ibb s GLY 90 N 1.04 1.32 0.00 3.99 0.00 -0.77 -0.97 107.32 111.93 3ibb s GLY 90 Ca -0.07 -1.55 -0.20 0.00 0.00 0.00 0.00 44.72 42.91 3ibb s GLY 90 CO -0.01 -1.23 0.56 -0.19 0.00 0.00 0.00 173.10 172.23 3ibb s TYR 91 N -4.04 3.70 0.00 1.90 2.02 0.46 -2.62 117.35 118.77 3ibb s TYR 91 Ca 0.35 1.17 0.02 0.00 -0.37 0.00 0.00 57.07 58.24 3ibb s TYR 91 Cb 0.05 -2.56 -0.01 0.00 -0.40 0.00 0.00 41.96 39.04 3ibb s TYR 91 CO 0.13 0.41 -0.06 0.20 -1.57 0.00 0.00 175.55 174.65 3ibb s GLY 92 N -0.37 0.33 -0.15 0.71 0.00 -0.81 -1.30 107.32 105.73 3ibb s GLY 92 Ca 0.30 -0.34 0.01 0.00 0.00 0.00 0.00 44.72 44.69 3ibb s GLY 92 CO 0.17 -0.31 -0.18 -0.51 0.00 0.00 0.00 173.10 172.26 3ibb s THR 93 N -0.34 2.39 -0.18 0.90 -4.23 -1.26 0.12 115.64 113.04 3ibb s THR 93 Ca 0.00 -0.87 -0.05 0.00 -1.18 0.00 0.00 61.69 59.60 3ibb s THR 93 Cb -0.04 -1.99 -0.03 0.00 1.34 0.00 0.00 72.50 71.79 3ibb s THR 93 CO -0.00 0.53 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.92 3ibb s VAL 94 N 0.82 4.08 -1.37 2.29 1.01 0.54 0.05 120.40 127.82 3ibb s VAL 94 Ca -0.06 -0.28 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 3ibb s VAL 94 Cb -0.15 -2.82 0.03 0.00 0.00 0.00 0.00 36.38 33.43 3ibb s VAL 94 CO -0.01 0.45 0.42 0.47 0.00 0.00 0.00 175.10 176.44 3ibb n ASP 95 N 3.91 -4.70 -3.79 3.32 8.00 -1.26 0.37 116.55 122.40 3ibb n ASP 95 Ca -0.17 -0.24 -0.29 0.00 0.71 0.00 0.00 54.79 54.81 3ibb n ASP 95 Cb 0.52 -3.87 0.03 0.00 -0.02 0.00 0.00 41.12 37.78 3ibb n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ibb n GLY 96 N -1.23 -0.51 3.24 0.44 0.00 -1.26 -4.99 105.19 100.88 3ibb n GLY 96 Ca -0.08 0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -6.49 2.17 0.49 1.61 0.52 1.18 -5.14 118.95 113.29 3ibb s ARG 97 Ca 0.62 -0.82 -0.21 0.00 -0.52 0.00 0.00 55.73 54.80 3ibb s ARG 97 Cb -0.31 -1.93 -0.08 0.00 0.52 0.00 0.00 34.95 33.16 3ibb s ARG 97 CO 0.77 0.39 1.08 -1.25 0.02 0.00 0.00 175.30 176.31 3ibb s PRO 98 N -0.25 3.71 0.11 3.54 0.04 -1.26 0.20 135.00 141.10 3ibb s PRO 98 Ca 0.01 1.51 -0.21 0.00 0.04 0.00 0.00 61.00 62.34 3ibb s PRO 98 Cb -0.12 -2.17 0.06 0.00 0.04 0.00 0.00 34.50 32.31 3ibb s PRO 98 CO 0.02 -0.53 0.52 0.08 0.04 0.00 0.00 177.00 177.13 3ibb s VAL 99 N -1.82 0.03 -0.06 -0.36 1.01 0.33 -4.48 120.40 115.05 3ibb s VAL 99 Ca 0.67 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.46 3ibb s VAL 99 Cb -0.21 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.13 3ibb s VAL 99 CO 0.25 -0.13 -0.17 0.00 0.00 0.00 0.00 175.10 175.05 3ibb s ALA 100 N -3.36 1.58 0.03 5.51 0.00 0.79 -1.92 121.76 124.39 3ibb s ALA 100 Ca -0.00 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.32 3ibb s ALA 100 Cb -0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 3ibb s ALA 100 CO -0.09 0.23 -0.08 0.08 0.00 0.00 0.00 175.76 175.90 3ibb s VAL 101 N 0.30 0.58 0.03 0.00 1.01 -1.08 -1.55 120.40 119.68 3ibb s VAL 101 Ca -0.10 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.11 3ibb s VAL 101 Cb -0.14 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 3ibb s VAL 101 CO 0.04 -0.15 -0.05 0.72 0.00 0.00 0.00 175.10 175.66 3ibb s PHE 102 N -0.87 0.39 -0.09 5.22 -0.12 -1.19 -1.84 117.98 119.48 3ibb s PHE 102 Ca -0.04 -0.53 0.03 0.00 -0.05 0.00 0.00 56.93 56.34 3ibb s PHE 102 Cb -0.07 -0.26 0.01 0.00 -0.63 0.00 0.00 43.02 42.07 3ibb s PHE 102 CO 0.00 -0.16 -0.19 0.45 -0.05 0.00 0.00 175.22 175.28 3ibb s SER 103 N -1.51 2.56 0.29 1.98 0.15 0.39 -1.49 113.70 116.07 3ibb s SER 103 Ca -0.14 -0.46 -0.30 0.00 0.70 0.00 0.00 55.95 55.76 3ibb s SER 103 Cb -0.10 -1.17 -0.11 0.00 -1.71 0.00 0.00 66.02 62.93 3ibb s SER 103 CO -0.01 0.10 1.49 -1.10 1.20 0.00 0.00 173.24 174.92 3ibb s GLN 104 N 0.54 4.20 -0.31 5.44 -0.21 -0.43 0.18 119.66 129.07 3ibb s GLN 104 Ca -0.16 2.42 -0.11 0.00 0.02 0.00 0.00 55.36 57.54 3ibb s GLN 104 Cb -0.17 -3.06 -0.02 0.00 1.00 0.00 0.00 33.01 30.76 3ibb s GLN 104 CO 0.06 -0.49 0.19 0.34 -2.12 0.00 0.00 175.29 173.27 3ibb s ASP 105 N 0.26 5.82 0.27 5.90 -1.08 -1.23 -4.32 116.67 122.29 3ibb s ASP 105 Ca 0.59 -0.35 -0.03 0.00 -0.52 0.00 0.00 52.55 52.25 3ibb s ASP 105 Cb -0.44 -2.07 0.36 0.00 -1.46 0.00 0.00 42.92 39.30 3ibb s ASP 105 CO 0.48 -0.17 1.83 0.15 0.52 0.00 0.00 175.17 177.99 3ibb h PHE 106 N 8.40 0.95 -0.92 -5.34 3.57 -1.81 -2.80 116.94 119.00 3ibb h PHE 106 Ca -0.33 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.09 3ibb h PHE 106 Cb 1.16 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 39.57 3ibb h PHE 106 CO 0.68 0.75 0.52 1.79 -2.23 0.00 0.00 178.31 179.82 3ibb h THR 107 N 0.91 1.26 -2.37 4.41 1.35 -1.91 0.25 112.91 116.82 3ibb h THR 107 Ca 0.21 -0.61 -0.53 0.00 -0.55 0.00 0.00 66.41 64.92 3ibb h THR 107 Cb 0.23 -0.01 -0.07 0.00 -1.73 0.00 0.00 68.15 66.57 3ibb h THR 107 CO -0.01 0.28 1.11 -0.69 -0.25 0.00 0.00 175.52 175.96 3ibb s VAL 108 N -5.89 3.68 0.00 6.82 1.01 -1.24 -3.05 120.40 121.73 3ibb s VAL 108 Ca -0.13 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.27 3ibb s VAL 108 Cb 0.17 -4.73 0.00 0.00 0.00 0.00 0.00 36.38 31.82 3ibb s VAL 108 CO 0.83 -1.64 0.00 0.49 0.00 0.00 0.00 175.10 174.77 3ibb n PHE 109 N 9.88 0.00 -0.68 5.22 3.72 -1.26 0.21 117.46 134.54 3ibb n PHE 109 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 3ibb n PHE 109 Cb 0.49 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 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 -2.60 0.65 3.68 1.37 0.00 -0.53 -3.80 105.19 103.97 3ibb n GLY 110 Ca 0.00 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.68 -0.52 3.77 -0.02 0.00 0.55 -1.87 105.19 104.41 3ibb n GLY 111 Ca 0.00 0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 3ibb n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibb s ALA 112 N -3.32 3.57 0.32 4.61 0.00 -1.24 -4.49 121.76 121.21 3ibb s ALA 112 Ca 0.58 1.42 -0.29 0.00 0.00 0.00 0.00 51.96 53.68 3ibb s ALA 112 Cb -0.27 -3.56 -0.10 0.00 0.00 0.00 0.00 23.12 19.19 3ibb s ALA 112 CO 0.76 -0.85 1.32 -1.17 0.00 0.00 0.00 175.76 175.82 3ibb s LEU 113 N -1.56 4.42 0.11 0.00 1.98 -0.96 -4.59 118.68 118.07 3ibb s LEU 113 Ca 0.53 2.67 -0.08 0.00 -2.89 0.00 0.00 54.13 54.37 3ibb s LEU 113 Cb -0.43 -3.64 -0.01 0.00 0.66 0.00 0.00 46.19 42.76 3ibb s LEU 113 CO 0.55 -0.55 0.20 -0.83 -1.89 0.00 0.00 176.35 173.82 3ibb s GLY 114 N -0.35 0.23 0.12 7.98 0.00 -1.26 -1.04 107.32 113.00 3ibb s GLY 114 Ca 0.50 -0.74 -0.18 0.00 0.00 0.00 0.00 44.72 44.30 3ibb s GLY 114 CO 0.51 -0.86 1.71 -2.09 0.00 0.00 0.00 173.10 172.38 3ibb h GLU 115 N 2.72 0.39 -0.65 2.90 4.81 -1.93 1.85 114.58 124.66 3ibb h GLU 115 Ca -0.33 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 58.78 3ibb h GLU 115 Cb 1.20 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 3ibb h GLU 115 CO 0.55 0.35 0.15 0.28 -0.73 0.00 0.00 179.01 179.61 3ibb h VAL 116 N 0.32 1.26 -0.72 0.32 2.07 -1.97 -2.45 116.25 115.07 3ibb h VAL 116 Ca 0.10 -0.96 -0.03 0.00 0.82 0.00 0.00 66.70 66.62 3ibb h VAL 116 Cb 0.08 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 3ibb h VAL 116 CO -0.01 0.36 0.32 0.22 0.02 0.00 0.00 177.57 178.48 3ibb h TYR 117 N 0.98 1.07 -0.83 1.57 5.03 -0.85 0.15 116.97 124.09 3ibb h TYR 117 Ca 0.20 -0.07 -0.03 0.00 2.58 0.00 0.00 58.73 61.41 3ibb h TYR 117 Cb 0.38 -0.33 -0.04 0.00 1.55 0.00 0.00 36.73 38.30 3ibb h TYR 117 CO 0.03 0.81 0.38 0.78 -1.32 0.00 0.00 178.16 178.84 3ibb h GLY 118 N 1.02 1.29 1.41 1.82 0.00 0.26 -2.85 103.07 106.02 3ibb h GLY 118 Ca 0.25 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3ibb h GLY 118 CO -0.03 0.62 0.38 1.46 0.00 0.00 0.00 176.54 178.98 3ibb h GLN 119 N 1.19 0.79 -0.22 4.80 4.20 -0.54 -0.29 115.11 125.04 3ibb h GLN 119 Ca 0.28 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.92 3ibb h GLN 119 Cb 0.14 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3ibb h GLN 119 CO -0.03 0.53 0.08 0.87 -0.67 0.00 0.00 178.83 179.61 3ibb h LYS 120 N 0.81 0.34 -0.51 1.46 1.57 -0.86 -0.71 116.57 118.67 3ibb h LYS 120 Ca 0.22 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.84 3ibb h LYS 120 Cb -0.08 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 3ibb h LYS 120 CO -0.05 0.42 -0.03 0.82 -0.57 0.00 0.00 179.45 180.04 3ibb h ILE 121 N 0.19 1.25 -0.87 1.86 2.04 -1.46 -3.22 117.51 117.31 3ibb h ILE 121 Ca 0.07 -1.09 -0.00 0.00 1.00 0.00 0.00 64.86 64.83 3ibb h ILE 121 Cb 0.21 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 3ibb h ILE 121 CO -0.00 0.39 0.52 0.58 0.00 0.00 0.00 178.15 179.64 3ibb h VAL 122 N 0.81 1.24 -0.69 1.67 2.07 -0.59 0.77 116.25 121.52 3ibb h VAL 122 Ca 0.15 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 3ibb h VAL 122 Cb 0.52 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 3ibb h VAL 122 CO 0.03 0.25 0.31 0.50 0.02 0.00 0.00 177.57 178.68 3ibb h LYS 123 N 1.19 1.00 -0.54 1.57 3.64 -1.21 -1.44 116.57 120.78 3ibb h LYS 123 Ca 0.31 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.48 3ibb h LYS 123 Cb -0.05 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 3ibb h LYS 123 CO -0.06 0.81 0.15 0.28 -2.27 0.00 0.00 179.45 178.35 3ibb h VAL 124 N 0.96 1.24 -0.62 2.00 2.07 -1.29 -2.81 116.25 117.81 3ibb h VAL 124 Ca 0.23 -0.85 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 3ibb h VAL 124 Cb 0.15 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3ibb h VAL 124 CO -0.03 0.31 0.18 0.24 0.02 0.00 0.00 177.57 178.30 3ibb h MET 125 N 0.76 0.94 -0.17 1.57 2.86 -0.70 -1.73 114.93 118.46 3ibb h MET 125 Ca 0.17 -0.19 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3ibb h MET 125 Cb 0.32 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 3ibb h MET 125 CO -0.00 0.81 0.10 -0.44 1.06 0.00 0.00 176.91 178.44 3ibb h ASP 126 N 0.91 0.20 -0.47 1.22 3.32 -1.18 -2.59 116.42 117.83 3ibb h ASP 126 Ca 0.20 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.10 3ibb h ASP 126 Cb 0.27 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 3ibb h ASP 126 CO -0.01 0.20 -0.04 0.15 -1.72 0.00 0.00 179.24 177.82 3ibb h PHE 127 N 0.18 1.00 0.01 4.55 3.57 -1.47 0.71 116.94 125.49 3ibb h PHE 127 Ca 0.06 -0.17 -0.00 0.00 3.53 0.00 0.00 57.97 61.39 3ibb h PHE 127 Cb 0.04 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.52 3ibb h PHE 127 CO -0.05 0.92 -0.01 0.00 -2.23 0.00 0.00 178.31 176.95 3ibb h ALA 128 N 1.11 -0.01 -0.55 2.41 0.00 -1.13 0.20 119.26 121.29 3ibb h ALA 128 Ca 0.15 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3ibb h ALA 128 Cb 0.55 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3ibb h ALA 128 CO 0.03 -0.50 -0.06 1.25 0.00 0.00 0.00 179.25 179.97 3ibb h LEU 129 N -0.04 0.98 0.14 0.00 6.46 -1.39 1.28 115.31 122.74 3ibb h LEU 129 Ca -0.00 -0.30 -0.01 0.00 -0.12 0.00 0.00 57.88 57.45 3ibb h LEU 129 Cb 0.03 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 39.70 3ibb h LEU 129 CO 0.00 1.07 -0.07 0.50 -0.62 0.00 0.00 178.44 179.33 3ibb h LYS 130 N 0.90 -0.18 -0.27 1.25 3.64 0.12 -2.93 116.57 119.11 3ibb h LYS 130 Ca 0.15 0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.41 3ibb h LYS 130 Cb 0.61 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 3ibb h LYS 130 CO 0.04 0.00 -0.37 0.00 -2.27 0.00 0.00 179.45 176.84 3ibb h THR 131 N -0.32 1.29 0.00 1.00 1.03 -0.76 -3.50 112.91 111.65 3ibb h THR 131 Ca -0.02 -1.53 0.00 0.00 -0.01 0.00 0.00 66.41 64.86 3ibb h THR 131 Cb 0.26 1.49 0.00 0.00 -1.07 0.00 0.00 68.15 68.83 3ibb h THR 131 CO 0.03 0.49 0.00 0.61 -0.01 0.00 0.00 175.52 176.64 3ibb n GLY 132 N -0.05 1.53 3.26 2.99 0.00 0.75 -5.08 105.19 108.58 3ibb n GLY 132 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.47 3.67 -0.21 0.00 0.02 -1.25 -4.37 135.00 131.38 3ibb s PRO 134 Ca 0.06 1.49 -0.04 0.00 0.02 0.00 0.00 61.00 62.53 3ibb s PRO 134 Cb -0.09 -2.12 -0.02 0.00 0.02 0.00 0.00 34.50 32.29 3ibb s PRO 134 CO 0.03 -0.56 -0.02 0.08 -0.33 0.00 0.00 177.00 176.19 3ibb s VAL 135 N -1.85 3.64 -0.21 3.83 1.01 -1.01 -0.15 120.40 125.67 3ibb s VAL 135 Ca 0.68 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 62.21 3ibb s VAL 135 Cb -0.20 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 3ibb s VAL 135 CO 0.24 0.42 -0.02 -0.69 0.00 0.00 0.00 175.10 175.05 3ibb s VAL 136 N 1.24 3.67 -0.27 2.92 1.01 -0.60 -1.01 120.40 127.36 3ibb s VAL 136 Ca 0.03 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 3ibb s VAL 136 Cb -0.14 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 3ibb s VAL 136 CO -0.00 0.43 0.09 -0.83 0.00 0.00 0.00 175.10 174.78 3ibb s GLY 137 N 1.21 1.79 -0.43 4.51 0.00 0.30 -3.18 107.32 111.52 3ibb s GLY 137 Ca 0.03 -1.22 -0.20 0.00 0.00 0.00 0.00 44.72 43.33 3ibb s GLY 137 CO 0.00 0.58 0.59 -0.42 0.00 0.00 0.00 173.10 173.86 3ibb s ILE 138 N 1.61 4.89 -0.30 0.90 1.01 -0.55 -1.32 121.20 127.44 3ibb s ILE 138 Ca 0.06 -0.00 -0.08 0.00 0.00 0.00 0.00 60.65 60.63 3ibb s ILE 138 Cb -0.16 -4.17 -0.00 0.00 0.01 0.00 0.00 42.46 38.14 3ibb s ILE 138 CO 0.04 -0.56 0.10 0.20 0.00 0.00 0.00 174.94 174.73 3ibb s ASN 139 N 1.96 5.27 -0.42 3.58 -0.87 0.22 -1.31 114.94 123.37 3ibb s ASN 139 Ca 0.20 -0.59 0.07 0.00 -1.57 0.00 0.00 52.86 50.97 3ibb s ASN 139 Cb -0.15 -1.93 0.25 0.00 -0.02 0.00 0.00 41.25 39.40 3ibb s ASN 139 CO 0.18 -0.18 0.63 -0.67 -2.57 0.00 0.00 177.10 174.49 3ibb n ASP 140 N 4.91 -0.78 -4.01 -1.22 2.03 -1.25 -1.87 116.55 114.36 3ibb n ASP 140 Ca -0.14 -2.88 -0.18 0.00 0.52 0.00 0.00 54.79 52.10 3ibb n ASP 140 Cb 0.49 0.12 -0.15 0.00 -0.72 0.00 0.00 41.12 40.86 3ibb n ASP 140 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3ibb s SER 141 N -1.34 0.97 0.30 1.67 0.15 -0.87 -3.91 113.70 110.66 3ibb s SER 141 Ca 0.34 -0.16 0.04 0.00 0.70 0.00 0.00 55.95 56.88 3ibb s SER 141 Cb 0.19 -0.11 0.67 0.00 -1.71 0.00 0.00 66.02 65.06 3ibb s SER 141 CO -0.15 0.10 1.81 1.23 1.20 0.00 0.00 173.24 177.43 3ibb h GLY 142 N 5.91 1.66 0.00 9.45 0.00 -1.51 -3.32 103.07 115.26 3ibb h GLY 142 Ca -0.30 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.64 3ibb h GLY 142 CO 0.50 0.06 0.00 0.61 0.00 0.00 0.00 176.54 177.70 3ibb n GLY 143 N -1.35 -0.52 3.67 4.60 0.00 -1.26 -4.26 105.19 106.06 3ibb n GLY 143 Ca 0.21 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 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 3.58 -0.75 4.61 0.00 -1.26 -2.27 121.76 124.67 3ibb s ALA 144 Ca 0.00 -0.65 -0.26 0.00 0.00 0.00 0.00 51.96 51.05 3ibb s ALA 144 Cb 0.00 -2.53 -0.13 0.00 0.00 0.00 0.00 23.12 20.46 3ibb s ALA 144 CO 0.00 -0.26 2.41 0.50 0.00 0.00 0.00 175.76 178.41 3ibb s ARG 145 N 1.22 1.66 0.37 0.00 3.52 -0.21 -4.67 118.95 120.85 3ibb s ARG 145 Ca 0.15 0.63 0.04 0.00 -0.13 0.00 0.00 55.73 56.42 3ibb s ARG 145 Cb -0.14 -4.75 0.71 0.00 -1.56 0.00 0.00 34.95 29.21 3ibb s ARG 145 CO 0.07 -4.29 2.02 0.82 -0.81 0.00 0.00 175.30 173.11 3ibb h ILE 146 N 7.69 1.14 -0.62 4.11 2.04 -1.93 -0.95 117.51 129.00 3ibb h ILE 146 Ca -0.04 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 65.58 3ibb h ILE 146 Cb 1.04 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 3ibb h ILE 146 CO 1.03 0.14 0.41 1.56 0.00 0.00 0.00 178.15 181.29 3ibb h GLN 147 N 0.74 0.66 -0.84 2.37 4.20 -1.97 -2.85 115.11 117.42 3ibb h GLN 147 Ca 0.20 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 3ibb h GLN 147 Cb -0.07 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.52 3ibb h GLN 147 CO -0.04 0.44 0.50 0.93 -0.67 0.00 0.00 178.83 179.99 3ibb h GLU 148 N 0.68 1.13 0.00 1.46 5.08 -1.49 -3.43 114.58 118.02 3ibb h GLU 148 Ca 0.25 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3ibb h GLU 148 Cb 0.15 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3ibb h GLU 148 CO -0.07 0.79 0.00 0.41 -1.00 0.00 0.00 179.01 179.14 3ibb n GLY 149 N -1.28 -0.64 0.34 -3.84 0.00 -1.08 -4.64 105.19 94.06 3ibb n GLY 149 Ca 0.09 -2.18 0.18 0.00 0.00 0.00 0.00 46.02 44.11 3ibb n GLY 149 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ibb h VAL 150 N 0.00 0.31 -0.41 1.61 2.07 -1.96 -2.45 116.25 115.42 3ibb h VAL 150 Ca 0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 3ibb h VAL 150 Cb 0.00 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3ibb h VAL 150 CO 0.00 0.00 0.29 0.00 0.02 0.00 0.00 177.57 177.88 3ibb h ALA 151 N 1.70 2.37 -0.61 1.67 0.00 -1.97 0.57 119.26 122.99 3ibb h ALA 151 Ca 0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3ibb h ALA 151 Cb 0.50 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3ibb h ALA 151 CO -0.00 -0.48 0.21 0.77 0.00 0.00 0.00 179.25 179.74 3ibb h SER 152 N 0.02 0.87 -0.74 0.00 0.02 -1.76 0.76 113.55 112.72 3ibb h SER 152 Ca 0.20 -0.20 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 3ibb h SER 152 Cb 0.76 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 3ibb h SER 152 CO -0.01 0.83 0.25 -0.07 -1.14 0.00 0.00 176.83 176.70 3ibb h LEU 153 N 0.86 1.07 -0.70 5.07 3.38 -0.10 0.35 115.31 125.24 3ibb h LEU 153 Ca 0.20 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3ibb h LEU 153 Cb 0.26 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3ibb h LEU 153 CO -0.01 0.98 0.26 1.23 0.09 0.00 0.00 178.44 180.99 3ibb h GLY 154 N 1.12 1.14 1.02 0.83 0.00 -1.26 -2.12 103.07 103.80 3ibb h GLY 154 Ca 0.24 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 3ibb h GLY 154 CO -0.01 0.60 0.44 0.00 0.00 0.00 0.00 176.54 177.57 3ibb h ALA 155 N 1.12 1.04 -0.58 3.60 0.00 0.65 -2.02 119.26 123.07 3ibb h ALA 155 Ca 0.23 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3ibb h ALA 155 Cb 0.24 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3ibb h ALA 155 CO -0.01 0.55 0.15 1.88 0.00 0.00 0.00 179.25 181.82 3ibb h TYR 156 N 1.13 0.96 -0.71 0.00 0.05 -0.71 -2.31 116.97 115.38 3ibb h TYR 156 Ca 0.28 -0.11 -0.01 0.00 0.05 0.00 0.00 58.73 58.95 3ibb h TYR 156 Cb 0.04 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 37.47 3ibb h TYR 156 CO 0.00 0.81 0.40 0.78 -1.05 0.00 0.00 178.16 179.11 3ibb h GLY 157 N 0.83 1.03 1.01 3.88 0.00 -1.31 0.53 103.07 109.03 3ibb h GLY 157 Ca 0.18 -0.44 0.01 0.00 0.00 0.00 0.00 47.33 47.08 3ibb h GLY 157 CO -0.00 0.42 0.57 -2.09 0.00 0.00 0.00 176.54 175.44 3ibb h GLU 158 N 0.98 1.13 -0.22 4.80 4.57 -0.81 0.15 114.58 125.17 3ibb h GLU 158 Ca 0.25 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.32 3ibb h GLU 158 Cb -0.01 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.32 3ibb h GLU 158 CO -0.04 0.75 -0.05 0.82 -1.18 0.00 0.00 179.01 179.30 3ibb h ILE 159 N 1.16 1.28 -0.73 2.32 2.04 -0.80 -3.24 117.51 119.54 3ibb h ILE 159 Ca 0.31 -1.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 3ibb h ILE 159 Cb -0.13 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 3ibb h ILE 159 CO -0.07 0.32 0.35 -0.26 0.00 0.00 0.00 178.15 178.49 3ibb h PHE 160 N 0.15 1.05 -0.67 1.37 0.04 0.16 0.16 116.94 119.20 3ibb h PHE 160 Ca 0.06 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 3ibb h PHE 160 Cb 0.50 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 38.29 3ibb h PHE 160 CO 0.05 0.77 0.39 -0.09 -0.60 0.00 0.00 178.31 178.83 3ibb h ARG 161 N 1.02 0.93 -0.51 1.51 2.43 -0.87 -1.73 114.38 117.17 3ibb h ARG 161 Ca 0.25 -0.10 -0.10 0.00 -0.81 0.00 0.00 59.98 59.22 3ibb h ARG 161 Cb 0.12 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3ibb h ARG 161 CO -0.03 0.68 -0.09 0.00 -1.51 0.00 0.00 179.97 179.02 3ibb h ARG 162 N 0.92 0.92 -0.81 0.20 3.08 -1.36 -2.24 114.38 115.09 3ibb h ARG 162 Ca 0.24 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 3ibb h ARG 162 Cb 0.00 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 29.94 3ibb h ARG 162 CO -0.04 0.96 0.45 -0.91 -1.07 0.00 0.00 179.97 179.37 3ibb h ASN 163 N 0.83 1.01 -0.72 7.04 -0.26 -0.20 -0.69 115.58 122.58 3ibb h ASN 163 Ca 0.14 -0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 55.78 3ibb h ASN 163 Cb 0.61 -0.26 -0.03 0.00 -1.06 0.00 0.00 38.32 37.58 3ibb h ASN 163 CO 0.04 0.81 0.42 0.74 -1.06 0.00 0.00 177.43 178.37 3ibb h THR 164 N 1.13 1.21 -0.28 2.81 2.02 -1.33 -2.25 112.91 116.22 3ibb h THR 164 Ca 0.29 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 3ibb h THR 164 Cb 0.02 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 3ibb h THR 164 CO -0.05 0.23 0.06 0.45 0.37 0.00 0.00 175.52 176.59 3ibb h HIS 165 N 0.99 0.47 -0.02 3.16 3.86 -0.54 -3.21 115.15 119.86 3ibb h HIS 165 Ca 0.26 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 3ibb h HIS 165 Cb 0.01 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.34 3ibb h HIS 165 CO -0.01 0.52 0.00 0.00 0.86 0.00 0.00 177.93 179.30 3ibb n ALA 166 N -2.31 2.56 -1.87 2.45 0.00 -0.53 -4.87 120.51 115.94 3ibb n ALA 166 Ca -0.03 -0.47 -0.42 0.00 0.00 0.00 0.00 53.44 52.52 3ibb n ALA 166 Cb 0.19 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 3ibb n ALA 166 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ibb s SER 167 N -1.99 6.55 0.00 0.00 0.15 -0.85 -1.01 113.70 116.54 3ibb s SER 167 Ca 0.37 2.71 0.00 0.00 0.70 0.00 0.00 55.95 59.73 3ibb s SER 167 Cb 0.21 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 3ibb s SER 167 CO 0.33 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.56 3ibb n GLY 168 N 3.07 0.67 0.15 9.45 0.00 -1.26 -4.83 105.19 112.45 3ibb n GLY 168 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.07 1.49 -4.28 1.61 0.31 -0.18 -4.69 118.33 110.51 3ibb n VAL 169 Ca 0.00 -0.41 -0.17 0.00 -0.01 0.00 0.00 64.34 63.75 3ibb n VAL 169 Cb 0.01 -1.79 -0.14 0.00 -0.91 0.00 0.00 33.84 31.01 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 -2.50 0.65 0.20 2.52 -4.36 -1.00 -1.96 121.20 114.75 3ibb s ILE 170 Ca -0.37 -0.47 -0.31 0.00 -0.26 0.00 0.00 60.65 59.24 3ibb s ILE 170 Cb 0.14 -0.57 -0.10 0.00 1.25 0.00 0.00 42.46 43.17 3ibb s ILE 170 CO 0.50 0.10 1.53 -2.84 0.24 0.00 0.00 174.94 174.47 3ibb s PRO 171 N -0.41 4.23 -0.22 0.37 0.02 -1.26 -4.75 135.00 132.97 3ibb s PRO 171 Ca 0.02 2.36 -0.06 0.00 0.02 0.00 0.00 61.00 63.33 3ibb s PRO 171 Cb -0.04 -3.13 -0.03 0.00 0.02 0.00 0.00 34.50 31.32 3ibb s PRO 171 CO -0.00 -0.55 0.03 -0.65 -0.33 0.00 0.00 177.00 175.50 3ibb s GLN 172 N 0.55 3.63 -0.18 5.54 -0.21 -1.26 -2.41 119.66 125.32 3ibb s GLN 172 Ca 0.66 -0.50 -0.02 0.00 0.02 0.00 0.00 55.36 55.52 3ibb s GLN 172 Cb -0.43 -3.19 -0.01 0.00 1.00 0.00 0.00 33.01 30.38 3ibb s GLN 172 CO 0.36 -0.09 -0.10 0.42 -2.12 0.00 0.00 175.29 173.77 3ibb s ILE 173 N 1.30 3.08 -0.31 1.08 1.09 -0.18 -2.79 121.20 124.46 3ibb s ILE 173 Ca 0.04 -0.62 -0.13 0.00 -1.10 0.00 0.00 60.65 58.85 3ibb s ILE 173 Cb -0.15 -2.35 -0.03 0.00 -1.06 0.00 0.00 42.46 38.88 3ibb s ILE 173 CO 0.02 0.48 0.27 -0.44 -0.10 0.00 0.00 174.94 175.17 3ibb s SER 174 N 0.99 6.10 -0.27 3.58 0.01 0.56 -0.53 113.70 124.13 3ibb s SER 174 Ca -0.01 -0.17 -0.10 0.00 1.31 0.00 0.00 55.95 56.98 3ibb s SER 174 Cb -0.15 -2.15 -0.05 0.00 0.21 0.00 0.00 66.02 63.88 3ibb s SER 174 CO -0.01 -0.19 0.17 -0.22 0.41 0.00 0.00 173.24 173.40 3ibb s LEU 175 N 1.84 3.95 -0.25 2.44 2.96 -0.43 0.15 118.68 129.33 3ibb s LEU 175 Ca 0.09 -0.03 -0.08 0.00 -0.22 0.00 0.00 54.13 53.89 3ibb s LEU 175 Cb -0.17 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.40 3ibb s LEU 175 CO 0.11 -0.04 0.08 -0.69 -1.32 0.00 0.00 176.35 174.49 3ibb s VAL 176 N 1.68 4.37 -0.23 1.68 1.01 0.13 -0.61 120.40 128.44 3ibb s VAL 176 Ca 0.07 -0.17 0.09 0.00 0.00 0.00 0.00 61.98 61.97 3ibb s VAL 176 Cb -0.16 -3.05 -0.12 0.00 0.00 0.00 0.00 36.38 33.05 3ibb s VAL 176 CO 0.10 0.32 0.30 1.33 0.00 0.00 0.00 175.10 177.14 3ibb n VAL 177 N 4.93 0.00 -4.02 2.92 0.24 -0.81 -3.35 118.33 118.25 3ibb n VAL 177 Ca -0.16 -0.25 -0.10 0.00 -2.04 0.00 0.00 64.34 61.79 3ibb n VAL 177 Cb 0.51 0.66 -0.11 0.00 -1.47 0.00 0.00 33.84 33.44 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 -2.42 0.35 0.31 7.63 0.00 -0.78 -3.36 107.32 109.04 3ibb s GLY 178 Ca 0.00 -0.70 -0.29 0.00 0.00 0.00 0.00 44.72 43.73 3ibb s GLY 178 CO 0.38 -0.77 1.28 -1.55 0.00 0.00 0.00 173.10 172.44 3ibb n PRO 179 N 1.43 1.99 -3.90 2.90 -0.04 -1.26 -3.82 135.00 132.30 3ibb n PRO 179 Ca -0.23 0.70 -0.28 0.00 -0.04 0.00 0.00 63.50 63.65 3ibb n PRO 179 Cb 0.55 -2.27 -0.16 0.00 -0.04 0.00 0.00 33.50 31.58 3ibb n PRO 179 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ibb s ALA 181 N 1.62 -0.29 0.00 0.00 0.00 -1.26 -2.66 121.76 119.18 3ibb s ALA 181 Ca 0.01 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.12 3ibb s ALA 181 Cb -0.15 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.88 3ibb s ALA 181 CO -0.08 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 175.98 3ibb n GLY 182 N 2.43 -1.24 0.33 0.00 0.00 -1.16 -4.30 105.19 101.25 3ibb n GLY 182 Ca -0.16 -2.14 0.22 0.00 0.00 0.00 0.00 46.02 43.94 3ibb n GLY 182 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ibb h GLY 183 N 0.00 0.00 -0.06 -0.02 0.00 -1.90 -0.30 103.07 100.79 3ibb h GLY 183 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.57 3ibb h GLY 183 CO 0.00 0.00 0.80 0.00 0.00 0.00 0.00 176.54 177.34 3ibb h ALA 184 N 2.00 2.65 -0.39 3.60 0.00 -1.92 4.30 119.26 129.50 3ibb h ALA 184 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3ibb h ALA 184 Cb 0.05 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3ibb h ALA 184 CO 0.00 -1.22 0.20 -0.39 0.00 0.00 0.00 179.25 177.84 3ibb h VAL 185 N 0.00 1.13 -0.62 0.00 -1.51 -1.30 -2.90 116.25 111.04 3ibb h VAL 185 Ca 0.39 -0.34 0.01 0.00 -1.23 0.00 0.00 66.70 65.53 3ibb h VAL 185 Cb 1.99 0.61 -0.03 0.00 -2.13 0.00 0.00 31.29 31.73 3ibb h VAL 185 CO -0.00 0.14 0.41 1.88 -1.23 0.00 0.00 177.57 178.77 3ibb h TYR 186 N 0.54 0.76 -0.44 5.19 -1.99 0.82 -2.92 116.97 118.93 3ibb h TYR 186 Ca 0.14 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.84 3ibb h TYR 186 Cb 0.03 -0.26 -0.02 0.00 2.00 0.00 0.00 36.73 38.49 3ibb h TYR 186 CO 0.00 0.47 0.08 1.03 -0.00 0.00 0.00 178.16 179.75 3ibb h SER 187 N 0.81 0.68 0.18 3.88 0.87 -1.64 0.63 113.55 118.97 3ibb h SER 187 Ca 0.23 -0.25 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 3ibb h SER 187 Cb -0.05 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 3ibb h SER 187 CO -0.05 0.76 -0.20 -0.65 -0.53 0.00 0.00 176.83 176.16 3ibb h PRO 188 N 0.58 0.03 -0.87 2.24 0.11 -1.72 -3.20 132.00 129.17 3ibb h PRO 188 Ca 0.13 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 3ibb h PRO 188 Cb 0.36 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.42 3ibb h PRO 188 CO 0.01 0.23 0.53 0.00 -0.21 0.00 0.00 178.00 178.55 3ibb h ALA 189 N 1.77 1.11 -0.88 -0.75 0.00 -0.78 0.24 119.26 119.98 3ibb h ALA 189 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3ibb h ALA 189 Cb 0.37 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3ibb h ALA 189 CO 0.03 0.57 0.45 0.82 0.00 0.00 0.00 179.25 181.12 3ibb h ILE 190 N 1.20 1.26 -4.00 0.00 2.04 -1.37 -3.45 117.51 113.19 3ibb h ILE 190 Ca 0.31 -0.69 -0.54 0.00 1.00 0.00 0.00 64.86 64.94 3ibb h ILE 190 Cb -0.05 0.10 0.12 0.00 -0.74 0.00 0.00 36.82 36.25 3ibb h ILE 190 CO -0.06 0.31 0.67 -0.89 0.00 0.00 0.00 178.15 178.18 3ibb s THR 191 N -5.77 2.15 0.26 -0.27 2.01 0.84 -4.89 115.64 109.97 3ibb s THR 191 Ca -0.13 0.13 -0.05 0.00 0.31 0.00 0.00 61.69 61.95 3ibb s THR 191 Cb 0.17 -3.07 0.25 0.00 0.01 0.00 0.00 72.50 69.85 3ibb s THR 191 CO 0.83 0.01 1.92 0.44 -0.69 0.00 0.00 174.62 177.14 3ibb h ASP 192 N 2.19 1.11 -4.33 3.53 3.32 -1.78 -3.42 116.42 117.04 3ibb h ASP 192 Ca -0.51 -0.04 -0.36 0.00 0.02 0.00 0.00 57.03 56.14 3ibb h ASP 192 Cb 1.27 -0.28 -0.25 0.00 0.22 0.00 0.00 39.33 40.29 3ibb h ASP 192 CO 0.60 0.83 -0.77 -0.36 -1.72 0.00 0.00 179.24 177.82 3ibb s PHE 193 N -6.02 0.86 -0.05 4.55 0.08 -1.12 -5.06 117.98 111.22 3ibb s PHE 193 Ca -0.13 -0.32 0.03 0.00 0.12 0.00 0.00 56.93 56.64 3ibb s PHE 193 Cb 0.18 -0.52 0.00 0.00 -0.57 0.00 0.00 43.02 42.11 3ibb s PHE 193 CO 0.82 -0.01 -0.14 0.99 -0.10 0.00 0.00 175.22 176.77 3ibb s THR 194 N -0.78 1.22 -0.02 0.64 2.01 -1.26 -0.32 115.64 117.13 3ibb s THR 194 Ca -0.01 -0.58 0.04 0.00 0.31 0.00 0.00 61.69 61.44 3ibb s THR 194 Cb -0.07 -1.07 -0.01 0.00 0.01 0.00 0.00 72.50 71.37 3ibb s THR 194 CO 0.01 0.36 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.47 3ibb s VAL 195 N 0.23 1.08 0.05 3.82 1.01 0.40 -0.62 120.40 126.37 3ibb s VAL 195 Ca -0.06 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 3ibb s VAL 195 Cb -0.12 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 3ibb s VAL 195 CO 0.02 0.32 -0.04 0.00 0.00 0.00 0.00 175.10 175.40 3ibb s MET 196 N -0.10 0.57 -0.09 2.72 0.23 -1.17 0.20 119.30 121.67 3ibb s MET 196 Ca 0.01 -1.09 0.03 0.00 -1.03 0.00 0.00 55.69 53.61 3ibb s MET 196 Cb -0.08 0.11 -0.02 0.00 -1.53 0.00 0.00 34.83 33.32 3ibb s MET 196 CO 0.00 -0.08 -0.17 0.14 -2.03 0.00 0.00 175.02 172.89 3ibb s VAL 197 N -3.26 2.77 0.21 5.16 -7.23 -1.21 -1.69 120.40 115.15 3ibb s VAL 197 Ca 0.02 -0.79 -0.31 0.00 -1.81 0.00 0.00 61.98 59.08 3ibb s VAL 197 Cb 0.03 -2.10 -0.11 0.00 0.56 0.00 0.00 36.38 34.76 3ibb s VAL 197 CO -0.07 0.56 1.63 -0.62 -0.31 0.00 0.00 175.10 176.29 3ibb s ASP 198 N -0.12 6.46 -1.55 4.85 -1.08 -0.94 -1.32 116.67 122.98 3ibb s ASP 198 Ca -0.03 2.80 0.00 0.00 -0.52 0.00 0.00 52.55 54.80 3ibb s ASP 198 Cb -0.14 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.72 3ibb s ASP 198 CO 0.04 -0.90 0.00 0.00 0.52 0.00 0.00 175.17 174.83 3ibb n GLN 199 N 3.53 -1.64 0.00 4.34 6.02 -1.26 -4.53 117.38 123.85 3ibb n GLN 199 Ca 0.13 0.87 0.00 0.00 -0.01 0.00 0.00 57.00 57.99 3ibb n GLN 199 Cb 0.37 -5.31 0.00 0.00 1.02 0.00 0.00 30.24 26.32 3ibb n GLN 199 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3ibb n THR 200 N -2.76 0.00 -5.03 5.09 -1.04 -0.43 -5.07 114.28 105.04 3ibb n THR 200 Ca -0.17 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.54 3ibb n THR 200 Cb 0.58 -0.28 -0.17 0.00 -1.82 0.00 0.00 70.33 68.64 3ibb n THR 200 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3ibb s SER 201 N -2.31 2.66 0.01 8.00 1.04 -0.72 -4.27 113.70 118.10 3ibb s SER 201 Ca 0.00 -0.47 0.03 0.00 0.48 0.00 0.00 55.95 55.99 3ibb s SER 201 Cb 0.00 -1.10 -0.01 0.00 0.10 0.00 0.00 66.02 65.01 3ibb s SER 201 CO 0.00 0.14 -0.09 -1.00 0.98 0.00 0.00 173.24 173.27 3ibb s HIS 202 N 0.32 0.77 -0.09 5.02 0.09 -1.26 -3.63 115.29 116.52 3ibb s HIS 202 Ca -0.14 -0.21 0.02 0.00 -0.00 0.00 0.00 55.06 54.73 3ibb s HIS 202 Cb -0.16 -0.49 0.01 0.00 -0.00 0.00 0.00 32.58 31.94 3ibb s HIS 202 CO 0.06 -0.01 -0.14 -1.64 -0.00 0.00 0.00 174.74 173.01 3ibb s MET 203 N -0.47 2.01 0.03 1.40 -1.94 -0.59 -0.71 119.30 119.03 3ibb s MET 203 Ca 0.01 -0.50 -0.27 0.00 -1.71 0.00 0.00 55.69 53.22 3ibb s MET 203 Cb -0.04 -1.67 0.07 0.00 2.01 0.00 0.00 34.83 35.19 3ibb s MET 203 CO -0.00 -0.00 0.63 -0.59 -0.01 0.00 0.00 175.02 175.04 3ibb s PHE 204 N 0.80 -0.58 -0.16 -0.03 -0.12 -1.09 -4.34 117.98 112.47 3ibb s PHE 204 Ca -0.11 0.76 -0.03 0.00 -0.05 0.00 0.00 56.93 57.50 3ibb s PHE 204 Cb -0.16 0.44 -0.23 0.00 -0.63 0.00 0.00 43.02 42.44 3ibb s PHE 204 CO 0.02 -0.69 0.20 1.51 -0.05 0.00 0.00 175.22 176.21 3ibb n ILE 205 N 0.43 1.68 -4.04 -4.49 0.13 -1.26 -2.99 119.36 108.82 3ibb n ILE 205 Ca -0.18 -0.64 -0.20 0.00 -1.10 0.00 0.00 62.75 60.62 3ibb n ILE 205 Cb 0.60 -1.58 -0.17 0.00 -0.84 0.00 0.00 39.64 37.65 3ibb n ILE 205 CO 0.00 0.00 0.00 -0.89 2.80 0.00 0.00 176.55 178.46 3ibb s THR 206 N -2.55 0.44 0.89 9.51 2.01 -1.26 -3.82 115.64 120.86 3ibb s THR 206 Ca -0.25 -0.04 -0.12 0.00 0.31 0.00 0.00 61.69 61.59 3ibb s THR 206 Cb 0.07 -0.50 0.12 0.00 0.01 0.00 0.00 72.50 72.20 3ibb s THR 206 CO 0.72 0.22 1.13 -0.83 -0.69 0.00 0.00 174.62 175.17 3ibb s GLY 207 N 1.14 1.59 0.22 4.40 0.00 -1.26 -4.78 107.32 108.63 3ibb s GLY 207 Ca -0.08 -0.45 -0.08 0.00 0.00 0.00 0.00 44.72 44.12 3ibb s GLY 207 CO -0.01 0.08 1.87 -2.55 0.00 0.00 0.00 173.10 172.49 3ibb h PRO 208 N -1.42 0.96 -0.60 2.90 0.11 -1.96 -0.12 132.00 131.88 3ibb h PRO 208 Ca -0.50 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.52 3ibb h PRO 208 Cb 1.32 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 3ibb h PRO 208 CO 0.61 0.64 0.25 0.38 -0.21 0.00 0.00 178.00 179.67 3ibb h ASP 209 N 0.99 0.81 -0.49 -2.05 3.04 -1.91 -3.05 116.42 113.76 3ibb h ASP 209 Ca 0.32 -0.16 -0.07 0.00 -3.24 0.00 0.00 57.03 53.88 3ibb h ASP 209 Cb 0.02 -0.21 -0.02 0.00 -1.04 0.00 0.00 39.33 38.08 3ibb h ASP 209 CO -0.12 0.75 0.03 0.58 -2.04 0.00 0.00 179.24 178.44 3ibb h VAL 210 N 0.82 1.26 -0.99 4.15 2.07 -1.37 -2.63 116.25 119.56 3ibb h VAL 210 Ca 0.20 -1.02 0.03 0.00 0.82 0.00 0.00 66.70 66.73 3ibb h VAL 210 Cb 0.18 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 3ibb h VAL 210 CO -0.02 0.36 0.65 0.16 0.02 0.00 0.00 177.57 178.74 3ibb h ILE 211 N 0.71 1.20 -0.43 4.57 3.07 -1.43 -2.48 117.51 122.71 3ibb h ILE 211 Ca 0.14 -0.44 -0.09 0.00 1.55 0.00 0.00 64.86 66.03 3ibb h ILE 211 Cb 0.47 -0.19 -0.01 0.00 -0.27 0.00 0.00 36.82 36.82 3ibb h ILE 211 CO 0.02 0.23 -0.07 0.07 -1.05 0.00 0.00 178.15 177.35 3ibb h LYS 212 N 1.28 0.81 -0.52 0.16 2.10 -1.42 3.50 116.57 122.47 3ibb h LYS 212 Ca 0.38 -0.30 -0.01 0.00 -2.00 0.00 0.00 60.65 58.73 3ibb h LYS 212 Cb -0.05 -0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 31.20 3ibb h LYS 212 CO -0.11 0.91 0.30 1.79 -2.00 0.00 0.00 179.45 180.35 3ibb h THR 213 N 0.64 1.17 0.00 0.07 1.35 -1.20 0.60 112.91 115.53 3ibb h THR 213 Ca 0.11 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 3ibb h THR 213 Cb 0.60 0.48 0.00 0.00 -1.73 0.00 0.00 68.15 67.50 3ibb h THR 213 CO 0.04 0.17 -1.06 0.52 -0.25 0.00 0.00 175.52 174.95 3ibb n VAL 214 N -4.66 0.00 0.14 6.82 0.31 -0.96 -4.34 118.33 115.65 3ibb n VAL 214 Ca 0.03 -0.24 0.06 0.00 -0.01 0.00 0.00 64.34 64.17 3ibb n VAL 214 Cb 0.07 0.65 -0.09 0.00 -0.91 0.00 0.00 33.84 33.56 3ibb n VAL 214 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3ibb n THR 215 N -1.60 0.00 0.00 2.52 -1.04 1.16 -5.02 114.28 110.30 3ibb n THR 215 Ca 0.00 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 3ibb n THR 215 Cb 0.27 0.43 0.00 0.00 -1.82 0.00 0.00 70.33 69.21 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 1.67 1.04 3.76 3.41 0.00 0.20 -4.93 105.19 110.33 3ibb n GLY 216 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3ibb n GLY 216 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3ibb n GLU 217 N 0.00 2.22 -4.19 1.61 0.28 -1.26 -4.63 120.64 114.67 3ibb n GLU 217 Ca 0.00 0.79 -0.34 0.00 -0.16 0.00 0.00 57.16 57.45 3ibb n GLU 217 Cb 0.00 -2.60 -0.13 0.00 1.43 0.00 0.00 31.44 30.13 3ibb n GLU 217 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3ibb s ASP 218 N -0.47 4.56 0.03 -1.84 1.01 -1.26 -3.63 116.67 115.07 3ibb s ASP 218 Ca 0.61 -0.26 -0.02 0.00 0.71 0.00 0.00 52.55 53.59 3ibb s ASP 218 Cb -0.46 -1.76 -0.02 0.00 1.01 0.00 0.00 42.92 41.69 3ibb s ASP 218 CO 0.58 0.08 0.01 -0.69 0.21 0.00 0.00 175.17 175.36 3ibb s VAL 219 N 0.91 0.14 0.27 -1.27 1.01 -1.26 -5.11 120.40 115.10 3ibb s VAL 219 Ca -0.00 -1.18 0.09 0.00 0.00 0.00 0.00 61.98 60.88 3ibb s VAL 219 Cb -0.15 -0.77 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 3ibb s VAL 219 CO 0.01 -0.65 -0.12 -0.83 0.00 0.00 0.00 175.10 173.51 3ibb s GLY 220 N -2.02 1.82 0.22 4.51 0.00 -1.26 -4.81 107.32 105.77 3ibb s GLY 220 Ca -0.07 -1.88 -0.09 0.00 0.00 0.00 0.00 44.72 42.69 3ibb s GLY 220 CO -0.04 -1.89 1.88 0.74 0.00 0.00 0.00 173.10 173.79 3ibb h PHE 221 N 2.29 1.07 -0.47 1.90 0.04 -1.98 0.30 116.94 120.10 3ibb h PHE 221 Ca -0.40 0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.43 3ibb h PHE 221 Cb 1.24 -0.36 -0.04 0.00 2.20 0.00 0.00 35.95 38.99 3ibb h PHE 221 CO 0.74 0.70 0.22 1.49 -0.60 0.00 0.00 178.31 180.86 3ibb h GLU 222 N 1.14 0.43 -0.10 1.51 4.57 -1.96 0.34 114.58 120.51 3ibb h GLU 222 Ca 0.30 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.41 3ibb h GLU 222 Cb -0.09 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.40 3ibb h GLU 222 CO -0.06 0.28 -0.11 1.49 -1.18 0.00 0.00 179.01 179.43 3ibb h GLU 223 N 0.44 0.25 0.14 1.92 4.81 -1.84 -0.58 114.58 119.72 3ibb h GLU 223 Ca 0.21 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3ibb h GLU 223 Cb 0.13 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3ibb h GLU 223 CO -0.16 0.68 -0.07 1.25 -0.73 0.00 0.00 179.01 179.99 3ibb h LEU 224 N -0.16 -0.15 -5.43 1.64 5.85 -0.94 -3.41 115.31 112.69 3ibb h LEU 224 Ca 0.01 -0.18 -0.35 0.00 0.84 0.00 0.00 57.88 58.20 3ibb h LEU 224 Cb 0.64 0.04 -0.26 0.00 0.37 0.00 0.00 40.66 41.46 3ibb h LEU 224 CO 0.03 0.09 -0.77 0.61 -0.34 0.00 0.00 178.44 178.07 3ibb n GLY 225 N -0.56 1.69 3.90 3.75 0.00 -0.54 -4.99 105.19 108.44 3ibb n GLY 225 Ca -0.09 -0.68 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.68 1.61 0.11 -0.02 0.00 -0.00 -1.54 107.32 105.81 3ibb s GLY 226 Ca 0.31 -0.55 -0.16 0.00 0.00 0.00 0.00 44.72 44.32 3ibb s GLY 226 CO -0.10 -0.25 1.56 0.00 0.00 0.00 0.00 173.10 174.31 3ibb h ALA 227 N -0.31 0.48 -0.19 3.20 0.00 -1.79 0.82 119.26 121.47 3ibb h ALA 227 Ca -0.45 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.21 3ibb h ALA 227 Cb 1.25 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3ibb h ALA 227 CO 0.62 0.23 0.10 -0.09 0.00 0.00 0.00 179.25 180.11 3ibb h ARG 228 N 0.44 0.27 -0.40 0.00 2.43 -1.92 -2.30 114.38 112.90 3ibb h ARG 228 Ca 0.10 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.12 3ibb h ARG 228 Cb 0.44 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3ibb h ARG 228 CO 0.02 0.27 -0.24 1.15 -1.51 0.00 0.00 179.97 179.65 3ibb h THR 229 N 0.21 1.27 -0.38 0.20 2.02 -1.70 2.03 112.91 116.56 3ibb h THR 229 Ca 0.07 -1.37 0.01 0.00 0.77 0.00 0.00 66.41 65.89 3ibb h THR 229 Cb 0.07 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 3ibb h THR 229 CO -0.01 0.46 0.25 0.45 0.37 0.00 0.00 175.52 177.03 3ibb h HIS 230 N 0.70 0.47 0.25 3.16 3.86 -0.98 -1.98 115.15 120.62 3ibb h HIS 230 Ca 0.09 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.30 3ibb h HIS 230 Cb 0.77 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.08 3ibb h HIS 230 CO 0.04 0.29 -0.12 -0.97 0.86 0.00 0.00 177.93 178.03 3ibb h ASN 231 N 0.50 -0.28 -0.16 2.45 -1.24 0.12 -2.90 115.58 114.07 3ibb h ASN 231 Ca 0.14 -0.13 -0.05 0.00 0.71 0.00 0.00 56.30 56.97 3ibb h ASN 231 Cb -0.05 0.07 -0.00 0.00 0.73 0.00 0.00 38.32 39.07 3ibb h ASN 231 CO -0.04 -0.04 -0.10 -1.28 -1.29 0.00 0.00 177.43 174.68 3ibb h SER 232 N -0.53 0.37 0.00 1.15 0.87 0.27 -3.04 113.55 112.64 3ibb h SER 232 Ca -0.03 -0.44 -0.08 0.00 -1.23 0.00 0.00 61.79 60.01 3ibb h SER 232 Cb 0.39 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 3ibb h SER 232 CO 0.06 0.73 -0.95 0.35 -0.53 0.00 0.00 176.83 176.48 3ibb n THR 233 N -4.59 0.82 -0.10 2.23 -2.24 -0.76 -4.12 114.28 105.52 3ibb n THR 233 Ca -0.06 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3ibb n THR 233 Cb 0.33 -1.70 0.28 0.00 -2.10 0.00 0.00 70.33 67.14 3ibb n THR 233 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3ibb h SER 234 N -0.29 0.67 0.00 3.42 4.64 -1.56 -3.46 113.55 116.97 3ibb h SER 234 Ca -0.12 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3ibb h SER 234 Cb 0.80 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3ibb h SER 234 CO -0.07 0.59 0.00 0.61 -0.87 0.00 0.00 176.83 177.09 3ibb n GLY 235 N -1.15 0.77 0.13 -0.77 0.00 -1.10 -4.96 105.19 98.12 3ibb n GLY 235 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 3ibb n GLY 235 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3ibb h VAL 236 N 0.00 1.22 -4.17 1.61 3.04 -1.90 -3.46 116.25 112.59 3ibb h VAL 236 Ca 0.00 -0.70 -0.49 0.00 -1.01 0.00 0.00 66.70 64.50 3ibb h VAL 236 Cb 0.00 1.29 0.05 0.00 -2.01 0.00 0.00 31.29 30.63 3ibb h VAL 236 CO 0.00 0.22 0.38 0.00 -1.01 0.00 0.00 177.57 177.16 3ibb s ALA 237 N -5.23 2.78 -0.58 3.17 0.00 -1.25 -4.76 121.76 115.89 3ibb s ALA 237 Ca -0.14 0.42 0.17 0.00 0.00 0.00 0.00 51.96 52.41 3ibb s ALA 237 Cb 0.07 -3.23 -0.20 0.00 0.00 0.00 0.00 23.12 19.76 3ibb s ALA 237 CO 0.72 -0.68 0.62 0.72 0.00 0.00 0.00 175.76 177.13 3ibb n HIS 238 N -1.81 0.00 -3.62 0.00 8.25 0.21 -4.84 115.22 113.41 3ibb n HIS 238 Ca 0.09 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.49 3ibb n HIS 238 Cb 0.53 -0.10 -0.02 0.00 1.12 0.00 0.00 29.99 31.52 3ibb n HIS 238 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3ibb s HIS 239 N -2.73 -0.23 -0.05 4.41 5.65 -1.21 -2.37 115.29 118.77 3ibb s HIS 239 Ca 0.03 0.02 0.03 0.00 0.25 0.00 0.00 55.06 55.39 3ibb s HIS 239 Cb 0.12 0.58 0.01 0.00 -1.18 0.00 0.00 32.58 32.11 3ibb s HIS 239 CO 0.69 -0.65 -0.13 1.41 -0.65 0.00 0.00 174.74 175.40 3ibb s MET 240 N -3.14 1.60 -0.01 2.88 1.75 -1.25 -3.07 119.30 118.06 3ibb s MET 240 Ca 0.09 -0.47 0.07 0.00 -1.25 0.00 0.00 55.69 54.13 3ibb s MET 240 Cb -0.01 -1.37 -0.02 0.00 2.84 0.00 0.00 34.83 36.28 3ibb s MET 240 CO -0.04 0.12 -0.22 0.00 -0.65 0.00 0.00 175.02 174.24 3ibb s ALA 241 N 0.34 1.81 0.21 4.11 0.00 -0.68 -4.95 121.76 122.59 3ibb s ALA 241 Ca -0.08 -0.95 -0.10 0.00 0.00 0.00 0.00 51.96 50.82 3ibb s ALA 241 Cb -0.13 -0.45 0.15 0.00 0.00 0.00 0.00 23.12 22.69 3ibb s ALA 241 CO 0.03 0.44 1.85 0.78 0.00 0.00 0.00 175.76 178.86 3ibb h GLY 242 N 5.51 1.09 -3.02 0.00 0.00 -1.95 -2.50 103.07 102.20 3ibb h GLY 242 Ca -0.40 -0.45 -0.12 0.00 0.00 0.00 0.00 47.33 46.36 3ibb h GLY 242 CO 0.47 0.43 -0.52 0.51 0.00 0.00 0.00 176.54 177.44 3ibb s ASP 243 N -5.97 0.25 0.51 0.19 1.47 -1.26 -4.58 116.67 107.29 3ibb s ASP 243 Ca -0.13 -0.94 0.18 0.00 1.18 0.00 0.00 52.55 52.84 3ibb s ASP 243 Cb 0.15 0.31 1.26 0.00 -0.34 0.00 0.00 42.92 44.29 3ibb s ASP 243 CO 0.79 -0.73 2.08 -0.33 0.68 0.00 0.00 175.17 177.66 3ibb h GLU 244 N 2.85 0.08 0.02 2.11 5.08 -1.91 0.30 114.58 123.11 3ibb h GLU 244 Ca -0.34 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3ibb h GLU 244 Cb 1.19 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3ibb h GLU 244 CO 0.58 0.05 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.41 3ibb h LYS 245 N 0.08 -0.03 -0.30 2.33 3.64 -1.96 -1.75 116.57 118.59 3ibb h LYS 245 Ca 0.12 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 3ibb h LYS 245 Cb 0.36 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 3ibb h LYS 245 CO -0.01 -0.00 -0.13 -0.44 -2.27 0.00 0.00 179.45 176.60 3ibb h ASP 246 N -0.05 0.49 -0.62 4.20 3.45 -0.79 -2.70 116.42 120.41 3ibb h ASP 246 Ca -0.00 -0.13 -0.00 0.00 0.43 0.00 0.00 57.03 57.32 3ibb h ASP 246 Cb 0.04 -0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 38.65 3ibb h ASP 246 CO 0.00 0.66 0.37 0.00 -1.57 0.00 0.00 179.24 178.71 3ibb h ALA 247 N 1.40 0.79 -0.66 3.45 0.00 -0.96 -0.92 119.26 122.35 3ibb h ALA 247 Ca 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3ibb h ALA 247 Cb 0.51 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3ibb h ALA 247 CO 0.03 0.27 0.39 0.28 0.00 0.00 0.00 179.25 180.22 3ibb h VAL 248 N 0.84 1.20 -0.56 0.00 2.07 -1.04 -2.21 116.25 116.54 3ibb h VAL 248 Ca 0.22 -0.45 -0.09 0.00 0.82 0.00 0.00 66.70 67.20 3ibb h VAL 248 Cb -0.02 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 3ibb h VAL 248 CO -0.04 0.21 -0.01 -0.08 0.02 0.00 0.00 177.57 177.66 3ibb h GLU 249 N 0.90 0.99 -0.58 1.57 4.57 -0.94 0.12 114.58 121.21 3ibb h GLU 249 Ca 0.24 -0.31 -0.07 0.00 -1.18 0.00 0.00 59.36 58.04 3ibb h GLU 249 Cb -0.01 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.46 3ibb h GLU 249 CO -0.04 0.98 0.07 -0.92 -1.18 0.00 0.00 179.01 177.92 3ibb h TYR 250 N 0.90 0.99 -0.65 0.92 3.20 -1.17 -0.24 116.97 120.93 3ibb h TYR 250 Ca 0.16 -0.13 0.02 0.00 3.14 0.00 0.00 58.73 61.93 3ibb h TYR 250 Cb 0.55 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 3ibb h TYR 250 CO 0.04 0.86 0.41 0.28 -1.64 0.00 0.00 178.16 178.10 3ibb h VAL 251 N 0.88 1.11 -0.04 1.81 2.07 -1.19 0.91 116.25 121.80 3ibb h VAL 251 Ca 0.18 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 3ibb h VAL 251 Cb 0.42 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3ibb h VAL 251 CO 0.01 0.15 0.01 0.50 0.02 0.00 0.00 177.57 178.26 3ibb h LYS 252 N 0.82 0.06 -0.54 1.57 3.64 -0.31 -3.06 116.57 118.75 3ibb h LYS 252 Ca 0.26 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.52 3ibb h LYS 252 Cb -0.01 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 3ibb h LYS 252 CO -0.09 0.26 -0.06 1.96 -2.27 0.00 0.00 179.45 179.26 3ibb h GLN 253 N -0.15 0.98 -0.58 1.90 4.20 -0.95 -3.30 115.11 117.21 3ibb h GLN 253 Ca 0.01 -0.32 0.01 0.00 0.06 0.00 0.00 58.65 58.41 3ibb h GLN 253 Cb 0.23 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 3ibb h GLN 253 CO -0.00 1.00 0.38 1.25 -0.67 0.00 0.00 178.83 180.79 3ibb h LEU 254 N 0.89 0.65 -1.39 1.46 5.85 0.93 0.44 115.31 124.13 3ibb h LEU 254 Ca 0.15 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 3ibb h LEU 254 Cb 0.59 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 3ibb h LEU 254 CO 0.04 0.47 -0.26 0.25 -0.34 0.00 0.00 178.44 178.60 3ibb h LEU 255 N 0.77 0.07 -1.62 2.25 5.85 -1.61 -3.21 115.31 117.82 3ibb h LEU 255 Ca 0.21 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.95 3ibb h LEU 255 Cb -0.06 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3ibb h LEU 255 CO -0.05 0.33 0.30 0.77 -0.34 0.00 0.00 178.44 179.45 3ibb h SER 256 N 0.07 0.43 -0.11 1.25 4.64 -0.23 0.83 113.55 120.43 3ibb h SER 256 Ca 0.01 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ibb h SER 256 Cb 0.49 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3ibb h SER 256 CO 0.04 0.30 0.00 -1.22 -0.87 0.00 0.00 176.83 175.07 3ibb n TYR 257 N -4.48 0.13 -4.86 4.77 4.01 -1.21 -4.36 117.16 111.17 3ibb n TYR 257 Ca 0.05 -0.07 -0.26 0.00 -0.16 0.00 0.00 57.90 57.46 3ibb n TYR 257 Cb 0.14 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.01 3ibb n TYR 257 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3ibb s LEU 258 N -1.71 1.93 0.55 7.72 1.43 0.29 -4.85 118.68 124.03 3ibb s LEU 258 Ca 0.34 -0.36 -0.18 0.00 -1.03 0.00 0.00 54.13 52.90 3ibb s LEU 258 Cb 0.18 -0.99 -0.06 0.00 0.03 0.00 0.00 46.19 45.36 3ibb s LEU 258 CO 0.29 0.16 1.06 -2.16 0.23 0.00 0.00 176.35 175.93 3ibb s PRO 259 N 0.01 3.47 0.20 1.29 0.04 -1.26 -4.53 135.00 134.22 3ibb s PRO 259 Ca -0.03 1.34 -0.11 0.00 0.04 0.00 0.00 61.00 62.24 3ibb s PRO 259 Cb -0.11 -2.05 0.14 0.00 0.04 0.00 0.00 34.50 32.52 3ibb s PRO 259 CO 0.02 -0.70 1.85 0.77 0.04 0.00 0.00 177.00 178.98 3ibb h SER 260 N 0.95 0.87 -5.17 6.66 0.02 -1.86 -3.43 113.55 111.59 3ibb h SER 260 Ca -0.48 -0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 60.34 3ibb h SER 260 Cb 1.23 -0.22 -0.12 0.00 0.14 0.00 0.00 62.40 63.43 3ibb h SER 260 CO 0.58 0.67 -0.17 0.54 -1.14 0.00 0.00 176.83 177.31 3ibb s ASN 261 N -5.95 -0.09 0.66 3.07 2.20 -1.18 -3.88 114.94 109.77 3ibb s ASN 261 Ca -0.13 -0.65 0.38 0.00 -0.94 0.00 0.00 52.86 51.52 3ibb s ASN 261 Cb 0.15 0.49 2.06 0.00 -2.00 0.00 0.00 41.25 41.95 3ibb s ASN 261 CO 0.78 -0.94 2.19 -0.55 -2.94 0.00 0.00 177.10 175.65 3ibb h ASN 262 N 2.41 0.00 -0.71 3.54 7.08 -1.67 -2.73 115.58 123.50 3ibb h ASN 262 Ca -0.31 0.00 0.09 0.00 -3.08 0.00 0.00 56.30 53.00 3ibb h ASN 262 Cb 1.24 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 37.44 3ibb h ASN 262 CO 0.45 0.00 0.47 -0.07 -2.08 0.00 0.00 177.43 176.19 3ibb h LEU 263 N 0.00 0.55 -8.33 6.14 -0.00 -1.91 -3.39 115.31 108.37 3ibb h LEU 263 Ca 0.01 0.01 -0.47 0.00 -0.00 0.00 0.00 57.88 57.43 3ibb h LEU 263 Cb 0.28 -0.11 -0.26 0.00 -0.00 0.00 0.00 40.66 40.58 3ibb h LEU 263 CO -0.00 0.34 -0.80 -0.94 -0.00 0.00 0.00 178.44 177.03 3ibb s SER 264 N -6.15 1.77 0.62 -0.43 1.04 -1.03 -5.12 113.70 104.39 3ibb s SER 264 Ca -0.09 -0.42 -0.17 0.00 0.48 0.00 0.00 55.95 55.75 3ibb s SER 264 Cb 0.20 -0.14 -0.02 0.00 0.10 0.00 0.00 66.02 66.16 3ibb s SER 264 CO 0.77 0.08 1.14 -1.61 0.98 0.00 0.00 173.24 174.60 3ibb s GLU 265 N -0.98 2.93 0.51 4.02 2.02 -1.26 -4.64 118.70 121.31 3ibb s GLU 265 Ca 0.03 1.58 -0.22 0.00 0.02 0.00 0.00 54.97 56.38 3ibb s GLU 265 Cb -0.07 -1.95 -0.06 0.00 0.10 0.00 0.00 34.13 32.15 3ibb s GLU 265 CO 0.01 -1.18 1.28 -1.25 0.02 0.00 0.00 175.26 174.14 3ibb s PRO 266 N -3.68 3.38 0.47 0.39 0.04 -1.26 -4.81 135.00 129.52 3ibb s PRO 266 Ca 0.71 2.05 -0.24 0.00 0.04 0.00 0.00 61.00 63.57 3ibb s PRO 266 Cb -0.24 -2.31 -0.07 0.00 0.04 0.00 0.00 34.50 31.91 3ibb s PRO 266 CO 0.36 -0.94 1.31 -1.25 0.04 0.00 0.00 177.00 176.52 3ibb s PRO 267 N -2.83 3.62 0.05 0.56 0.04 -1.26 -4.62 135.00 130.57 3ibb s PRO 267 Ca 0.68 2.15 0.01 0.00 0.04 0.00 0.00 61.00 63.88 3ibb s PRO 267 Cb -0.36 -2.52 -0.03 0.00 0.04 0.00 0.00 34.50 31.64 3ibb s PRO 267 CO 0.43 -0.77 -0.06 0.00 0.04 0.00 0.00 177.00 176.63 3ibb s ALA 268 N -1.32 0.55 -0.47 8.56 0.00 -1.26 -4.59 121.76 123.23 3ibb s ALA 268 Ca 0.63 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 51.75 3ibb s ALA 268 Cb -0.38 0.12 0.23 0.00 0.00 0.00 0.00 23.12 23.09 3ibb s ALA 268 CO 0.47 -0.14 0.54 1.19 0.00 0.00 0.00 175.76 177.82 3ibb n PHE 269 N 1.01 0.63 -2.15 0.00 3.72 -0.41 -5.04 117.46 115.22 3ibb n PHE 269 Ca -0.20 -3.69 -0.42 0.00 -0.05 0.00 0.00 57.45 53.09 3ibb n PHE 269 Cb 0.57 -0.31 -0.03 0.00 -0.94 0.00 0.00 39.48 38.77 3ibb n PHE 269 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 3ibb s PRO 270 N -1.28 4.33 -0.06 -1.08 0.02 -1.26 -4.41 135.00 131.25 3ibb s PRO 270 Ca 0.35 2.11 -0.03 0.00 0.02 0.00 0.00 61.00 63.45 3ibb s PRO 270 Cb 0.13 -3.21 0.03 0.00 0.02 0.00 0.00 34.50 31.47 3ibb s PRO 270 CO -0.11 -0.39 0.15 -1.83 -0.33 0.00 0.00 177.00 174.49 3ibb s GLU 271 N 0.60 0.12 -0.58 5.54 -1.05 -1.23 -4.96 118.70 117.13 3ibb s GLU 271 Ca 0.62 0.33 -0.21 0.00 -0.15 0.00 0.00 54.97 55.56 3ibb s GLU 271 Cb -0.38 -0.11 0.07 0.00 -0.44 0.00 0.00 34.13 33.27 3ibb s GLU 271 CO 0.34 -0.13 0.82 -2.00 0.95 0.00 0.00 175.26 175.24 3ibb s GLU 272 N 0.88 3.15 0.47 -4.83 2.12 -1.26 -4.42 118.70 114.80 3ibb s GLU 272 Ca -0.07 -0.83 -0.24 0.00 0.36 0.00 0.00 54.97 54.20 3ibb s GLU 272 Cb -0.09 -4.16 -0.07 0.00 0.26 0.00 0.00 34.13 30.07 3ibb s GLU 272 CO -0.04 -1.53 1.29 0.00 -0.54 0.00 0.00 175.26 174.44 3ibb s ALA 273 N 3.37 3.04 0.19 6.30 0.00 -1.26 -4.91 121.76 128.50 3ibb s ALA 273 Ca 0.20 1.20 -0.32 0.00 0.00 0.00 0.00 51.96 53.04 3ibb s ALA 273 Cb -0.18 -3.49 -0.11 0.00 0.00 0.00 0.00 23.12 19.34 3ibb s ALA 273 CO 0.12 -0.98 1.64 0.34 0.00 0.00 0.00 175.76 176.88 3ibb s ASP 274 N -0.96 6.47 0.19 0.00 3.68 -1.26 -4.90 116.67 119.91 3ibb s ASP 274 Ca 0.64 2.76 -0.05 0.00 2.13 0.00 0.00 52.55 58.02 3ibb s ASP 274 Cb -0.37 -2.60 0.12 0.00 -1.45 0.00 0.00 42.92 38.62 3ibb s ASP 274 CO 0.45 -0.90 1.56 -0.07 0.13 0.00 0.00 175.17 176.34 3ibb h LEU 275 N 6.69 0.79 -9.95 -1.34 4.07 -2.02 -3.48 115.31 110.08 3ibb h LEU 275 Ca -0.43 -0.34 -0.55 0.00 0.08 0.00 0.00 57.88 56.65 3ibb h LEU 275 Cb 1.20 -0.22 0.12 0.00 1.08 0.00 0.00 40.66 42.84 3ibb h LEU 275 CO 0.93 1.06 0.71 0.00 -1.08 0.00 0.00 178.44 180.06 3ibb n ALA 276 N -2.52 2.08 -1.76 1.53 0.00 -1.26 -4.86 120.51 113.72 3ibb n ALA 276 Ca -0.01 0.29 -0.41 0.00 0.00 0.00 0.00 53.44 53.30 3ibb n ALA 276 Cb 0.50 -2.39 -0.01 0.00 0.00 0.00 0.00 19.45 17.55 3ibb n ALA 276 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ibb s VAL 277 N -1.16 2.06 -0.20 0.00 1.01 -1.26 -4.97 120.40 115.88 3ibb s VAL 277 Ca 0.58 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.58 3ibb s VAL 277 Cb -0.47 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 3ibb s VAL 277 CO 0.60 0.01 -0.06 0.42 0.00 0.00 0.00 175.10 176.07 3ibb s THR 278 N -0.08 3.35 0.35 3.92 -4.23 -1.26 -4.98 115.64 112.71 3ibb s THR 278 Ca 0.63 -0.51 0.26 0.00 -1.18 0.00 0.00 61.69 60.88 3ibb s THR 278 Cb -0.48 -2.50 0.40 0.00 1.34 0.00 0.00 72.50 71.26 3ibb s THR 278 CO 0.49 0.45 1.21 0.47 -0.54 0.00 0.00 174.62 176.70 3ibb n ASP 279 N 4.43 0.16 0.17 3.99 9.92 -1.26 0.27 116.55 134.22 3ibb n ASP 279 Ca -0.18 1.06 0.05 0.00 -0.53 0.00 0.00 54.79 55.20 3ibb n ASP 279 Cb 0.51 -0.52 0.51 0.00 -0.64 0.00 0.00 41.12 40.98 3ibb n ASP 279 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 3ibb h GLU 280 N 0.00 0.17 -0.48 -1.24 4.81 -2.01 1.81 114.58 117.64 3ibb h GLU 280 Ca 0.69 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.90 3ibb h GLU 280 Cb 2.24 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 31.56 3ibb h GLU 280 CO -0.35 0.20 0.31 -0.44 -0.73 0.00 0.00 179.01 178.00 3ibb h ASP 281 N 0.17 0.56 -0.02 1.04 3.32 0.33 -0.57 116.42 121.25 3ibb h ASP 281 Ca 0.04 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.08 3ibb h ASP 281 Cb 0.14 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3ibb h ASP 281 CO 0.00 0.41 0.02 0.00 -1.72 0.00 0.00 179.24 177.95 3ibb h ALA 282 N 1.69 1.71 -0.20 3.45 0.00 0.29 -0.89 119.26 125.31 3ibb h ALA 282 Ca 0.18 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.14 3ibb h ALA 282 Cb -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3ibb h ALA 282 CO -0.04 -0.03 0.14 0.93 0.00 0.00 0.00 179.25 180.26 3ibb h GLU 283 N 0.00 0.00 -0.04 0.00 5.08 -0.82 0.24 114.58 119.04 3ibb h GLU 283 Ca 0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3ibb h GLU 283 Cb 0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 3ibb h GLU 283 CO -0.00 0.00 -0.05 -0.07 -1.00 0.00 0.00 179.01 177.89 3ibb h LEU 284 N 0.00 0.06 -0.96 1.33 4.07 -1.32 -2.16 115.31 116.32 3ibb h LEU 284 Ca 0.09 -0.00 0.08 0.00 0.08 0.00 0.00 57.88 58.13 3ibb h LEU 284 Cb 0.38 -0.01 -0.07 0.00 1.08 0.00 0.00 40.66 42.04 3ibb h LEU 284 CO -0.00 0.12 0.61 0.44 -1.08 0.00 0.00 178.44 178.53 3ibb h ASP 285 N 0.06 0.94 -0.09 -0.43 3.45 -0.70 -1.44 116.42 118.21 3ibb h ASP 285 Ca 0.02 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.50 3ibb h ASP 285 Cb 0.13 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 38.73 3ibb h ASP 285 CO 0.01 0.56 0.00 0.35 -1.57 0.00 0.00 179.24 178.59 3ibb n THR 286 N -4.58 0.13 -0.29 0.35 -2.24 -0.83 -4.54 114.28 102.28 3ibb n THR 286 Ca 0.16 -0.56 -0.04 0.00 -2.27 0.00 0.00 64.05 61.33 3ibb n THR 286 Cb 0.24 1.25 0.07 0.00 -2.10 0.00 0.00 70.33 69.80 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 3.35 1.20 -2.86 2.28 6.09 -1.03 -3.38 117.51 123.16 3ibb h ILE 287 Ca 0.00 -0.37 -0.53 0.00 -1.37 0.00 0.00 64.86 62.60 3ibb h ILE 287 Cb 0.74 0.04 0.04 0.00 0.47 0.00 0.00 36.82 38.10 3ibb h ILE 287 CO 0.00 0.19 0.85 0.68 -3.07 0.00 0.00 178.15 176.80 3ibb s VAL 288 N -6.13 2.77 0.71 2.19 -7.23 -1.26 -4.90 120.40 106.54 3ibb s VAL 288 Ca -0.13 0.55 -0.12 0.00 -1.81 0.00 0.00 61.98 60.47 3ibb s VAL 288 Cb 0.15 -3.35 0.02 0.00 0.56 0.00 0.00 36.38 33.76 3ibb s VAL 288 CO 0.79 0.04 1.08 -2.16 -0.31 0.00 0.00 175.10 174.54 3ibb s PRO 289 N 1.12 2.71 0.21 4.82 0.04 -1.26 -4.96 135.00 137.68 3ibb s PRO 289 Ca 0.69 1.13 -0.10 0.00 0.04 0.00 0.00 61.00 62.75 3ibb s PRO 289 Cb -0.42 -1.96 0.18 0.00 0.04 0.00 0.00 34.50 32.34 3ibb s PRO 289 CO 0.31 -1.28 1.87 -0.44 0.04 0.00 0.00 177.00 177.49 3ibb h ASP 290 N -0.62 0.80 -3.81 6.66 3.32 -1.93 -3.43 116.42 117.41 3ibb h ASP 290 Ca -0.44 -0.01 -0.48 0.00 0.02 0.00 0.00 57.03 56.11 3ibb h ASP 290 Cb 1.22 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 3ibb h ASP 290 CO 0.54 0.57 0.29 -0.44 -1.72 0.00 0.00 179.24 178.49 3ibb s SER 291 N -5.82 7.28 0.03 6.45 0.01 -1.26 -4.97 113.70 115.42 3ibb s SER 291 Ca -0.13 1.74 -0.26 0.00 1.31 0.00 0.00 55.95 58.62 3ibb s SER 291 Cb 0.15 -2.54 -0.17 0.00 0.21 0.00 0.00 66.02 63.67 3ibb s SER 291 CO 0.78 -0.04 1.39 0.00 0.41 0.00 0.00 173.24 175.77 3ibb h ALA 292 N 3.24 -0.38 -0.28 1.44 0.00 -2.04 -3.30 119.26 117.94 3ibb h ALA 292 Ca -0.47 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.17 3ibb h ALA 292 Cb 1.19 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 3ibb h ALA 292 CO 0.65 -0.59 -0.26 -0.91 0.00 0.00 0.00 179.25 178.13 3ibb h ASN 293 N -0.63 0.73 -2.29 0.00 2.35 -1.96 -3.46 115.58 110.32 3ibb h ASN 293 Ca -0.04 -0.47 -0.58 0.00 -0.55 0.00 0.00 56.30 54.67 3ibb h ASN 293 Cb 0.45 -0.20 0.06 0.00 0.05 0.00 0.00 38.32 38.67 3ibb h ASN 293 CO 0.06 1.04 0.82 1.67 -1.65 0.00 0.00 177.43 179.37 3ibb n GLN 294 N -4.29 2.19 -2.04 0.81 7.27 -1.24 -4.89 117.38 115.19 3ibb n GLN 294 Ca -0.04 0.79 -0.31 0.00 0.07 0.00 0.00 57.00 57.51 3ibb n GLN 294 Cb 0.46 -2.57 -0.00 0.00 2.41 0.00 0.00 30.24 30.54 3ibb n GLN 294 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 3ibb s PRO 295 N 1.01 3.71 0.14 3.69 0.02 -1.26 -4.74 135.00 137.56 3ibb s PRO 295 Ca 0.79 0.81 -0.21 0.00 0.02 0.00 0.00 61.00 62.41 3ibb s PRO 295 Cb -0.67 -2.10 0.06 0.00 0.02 0.00 0.00 34.50 31.81 3ibb s PRO 295 CO 0.38 -0.48 0.53 1.52 -0.33 0.00 0.00 177.00 178.62 3ibb s TYR 296 N -3.01 -0.43 0.21 6.54 1.13 -1.26 -4.91 117.35 115.62 3ibb s TYR 296 Ca 0.56 0.21 -0.30 0.00 -1.41 0.00 0.00 57.07 56.14 3ibb s TYR 296 Cb -0.11 0.45 -0.09 0.00 -1.10 0.00 0.00 41.96 41.12 3ibb s TYR 296 CO 0.47 -0.78 1.23 0.34 -2.51 0.00 0.00 175.55 174.30 3ibb s ASP 297 N -2.69 7.02 0.29 -0.18 -1.08 -1.26 -4.29 116.67 114.48 3ibb s ASP 297 Ca 0.01 2.32 -0.00 0.00 -0.52 0.00 0.00 52.55 54.36 3ibb s ASP 297 Cb -0.00 -2.61 0.43 0.00 -1.46 0.00 0.00 42.92 39.28 3ibb s ASP 297 CO -0.12 -0.41 1.84 -0.03 0.52 0.00 0.00 175.17 176.97 3ibb h MET 298 N 5.03 0.80 -0.66 4.34 1.85 -1.94 -3.40 114.93 120.94 3ibb h MET 298 Ca -0.45 -0.16 -0.03 0.00 -0.61 0.00 0.00 59.70 58.45 3ibb h MET 298 Cb 1.21 -0.12 -0.03 0.00 0.43 0.00 0.00 31.60 33.09 3ibb h MET 298 CO 0.74 0.72 0.29 0.45 -0.40 0.00 0.00 176.91 178.71 3ibb h HIS 299 N 0.77 0.98 -0.71 1.39 3.86 -1.94 -2.52 115.15 116.99 3ibb h HIS 299 Ca 0.17 -0.06 0.01 0.00 -1.16 0.00 0.00 60.37 59.33 3ibb h HIS 299 Cb 0.28 -0.30 -0.04 0.00 1.06 0.00 0.00 27.41 28.41 3ibb h HIS 299 CO 0.02 0.75 0.47 1.03 0.86 0.00 0.00 177.93 181.06 3ibb h SER 300 N 0.93 0.80 -0.50 2.45 0.87 -1.99 0.80 113.55 116.91 3ibb h SER 300 Ca 0.22 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.72 3ibb h SER 300 Cb 0.16 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 3ibb h SER 300 CO -0.02 0.58 0.12 0.58 -0.53 0.00 0.00 176.83 177.55 3ibb h VAL 301 N 0.95 1.24 -0.37 2.23 2.07 -1.70 -1.93 116.25 118.74 3ibb h VAL 301 Ca 0.26 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 3ibb h VAL 301 Cb -0.08 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3ibb h VAL 301 CO -0.06 0.31 0.04 0.40 0.02 0.00 0.00 177.57 178.28 3ibb h ILE 302 N 0.69 1.19 -0.94 4.57 2.04 -0.93 -3.05 117.51 121.08 3ibb h ILE 302 Ca 0.16 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 65.30 3ibb h ILE 302 Cb 0.34 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 3ibb h ILE 302 CO 0.00 0.25 0.62 -0.33 0.00 0.00 0.00 178.15 178.69 3ibb h GLU 303 N 0.54 1.23 0.26 2.37 5.08 0.11 -3.20 114.58 120.97 3ibb h GLU 303 Ca 0.12 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3ibb h GLU 303 Cb 0.28 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3ibb h GLU 303 CO 0.00 0.82 -0.12 0.45 -1.00 0.00 0.00 179.01 179.16 3ibb h HIS 304 N 1.27 -0.32 -0.26 4.33 3.86 -1.25 -3.15 115.15 119.62 3ibb h HIS 304 Ca 0.34 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.50 3ibb h HIS 304 Cb -0.14 0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 3ibb h HIS 304 CO 0.00 -0.10 -0.00 -0.39 0.86 0.00 0.00 177.93 178.30 3ibb h VAL 305 N -0.49 1.26 -4.05 2.45 -1.51 -1.65 -3.46 116.25 108.80 3ibb h VAL 305 Ca -0.04 -0.92 -0.48 0.00 -1.23 0.00 0.00 66.70 64.03 3ibb h VAL 305 Cb 0.37 1.35 0.03 0.00 -2.13 0.00 0.00 31.29 30.91 3ibb h VAL 305 CO 0.06 0.29 0.40 -0.76 -1.23 0.00 0.00 177.57 176.33 3ibb s LEU 306 N -9.47 3.90 0.25 4.19 1.43 -1.19 -4.88 118.68 112.91 3ibb s LEU 306 Ca -0.14 2.01 -0.30 0.00 -1.03 0.00 0.00 54.13 54.67 3ibb s LEU 306 Cb 0.08 -4.47 -0.11 0.00 0.03 0.00 0.00 46.19 41.72 3ibb s LEU 306 CO 0.75 -0.80 1.52 -1.81 0.23 0.00 0.00 176.35 176.24 3ibb s ASP 307 N -1.83 6.55 -0.67 2.29 1.01 0.30 -1.90 116.67 122.43 3ibb s ASP 307 Ca 0.66 2.75 0.00 0.00 0.71 0.00 0.00 52.55 56.67 3ibb s ASP 307 Cb -0.19 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.12 3ibb s ASP 307 CO 0.23 -0.80 0.00 0.47 0.21 0.00 0.00 175.17 175.29 3ibb n ASP 308 N 2.61 -4.76 -3.15 0.27 9.92 -1.26 -2.30 116.55 117.88 3ibb n ASP 308 Ca 0.09 0.16 -0.23 0.00 -0.53 0.00 0.00 54.79 54.27 3ibb n ASP 308 Cb 0.39 -2.81 0.03 0.00 -0.64 0.00 0.00 41.12 38.08 3ibb n ASP 308 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ibb n ALA 309 N 1.12 -1.02 -3.01 2.24 0.00 -0.80 -4.96 120.51 114.08 3ibb n ALA 309 Ca -0.06 0.24 -0.36 0.00 0.00 0.00 0.00 53.44 53.26 3ibb n ALA 309 Cb 0.37 -3.72 -0.12 0.00 0.00 0.00 0.00 19.45 15.98 3ibb n ALA 309 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3ibb s GLU 310 N -5.83 3.70 -0.12 0.00 2.56 -0.97 -4.88 118.70 113.15 3ibb s GLU 310 Ca 0.35 -0.46 0.03 0.00 0.00 0.00 0.00 54.97 54.89 3ibb s GLU 310 Cb -0.16 -3.32 0.00 0.00 2.00 0.00 0.00 34.13 32.65 3ibb s GLU 310 CO 0.43 -0.13 -0.22 0.12 -0.56 0.00 0.00 175.26 174.89 3ibb s PHE 311 N 1.47 2.63 -0.54 5.30 5.36 -1.26 -4.55 117.98 126.39 3ibb s PHE 311 Ca 0.06 -1.20 -0.21 0.00 -0.96 0.00 0.00 56.93 54.62 3ibb s PHE 311 Cb -0.15 -1.77 0.06 0.00 -0.34 0.00 0.00 43.02 40.82 3ibb s PHE 311 CO 0.04 -0.52 0.75 0.12 -1.46 0.00 0.00 175.22 174.15 3ibb s PHE 312 N 0.61 2.94 0.29 10.12 5.36 -0.40 -4.99 117.98 131.91 3ibb s PHE 312 Ca -0.12 -0.45 -0.29 0.00 -0.96 0.00 0.00 56.93 55.10 3ibb s PHE 312 Cb -0.17 -3.81 -0.10 0.00 -0.34 0.00 0.00 43.02 38.60 3ibb s PHE 312 CO 0.03 -1.21 1.37 -2.00 -1.46 0.00 0.00 175.22 171.94 3ibb s GLU 313 N 3.13 4.31 0.03 10.12 2.12 -1.26 0.08 118.70 137.23 3ibb s GLU 313 Ca 0.19 2.26 0.07 0.00 0.36 0.00 0.00 54.97 57.85 3ibb s GLU 313 Cb -0.18 -3.09 -0.02 0.00 0.26 0.00 0.00 34.13 31.10 3ibb s GLU 313 CO 0.13 -0.30 -0.20 0.95 -0.54 0.00 0.00 175.26 175.30 3ibb s THR 314 N -0.63 1.57 -1.34 -1.70 -4.23 0.71 -4.85 115.64 105.16 3ibb s THR 314 Ca 0.54 -1.10 -0.08 0.00 -1.18 0.00 0.00 61.69 59.87 3ibb s THR 314 Cb -0.41 -1.36 0.01 0.00 1.34 0.00 0.00 72.50 72.09 3ibb s THR 314 CO 0.49 0.22 1.16 0.00 -0.54 0.00 0.00 174.62 175.95 3ibb n GLN 315 N 2.00 -7.74 -0.13 3.99 6.02 -1.00 -4.20 117.38 116.32 3ibb n GLN 315 Ca -0.17 0.83 -0.08 0.00 -0.01 0.00 0.00 57.00 57.56 3ibb n GLN 315 Cb 0.53 -5.88 -0.00 0.00 1.02 0.00 0.00 30.24 25.92 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 -2.58 0.57 -0.21 -1.09 0.11 -1.89 -3.05 132.00 123.86 3ibb h PRO 316 Ca -0.57 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.44 3ibb h PRO 316 Cb 1.37 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3ibb h PRO 316 CO 0.55 0.46 0.03 -0.07 -0.21 0.00 0.00 178.00 178.76 3ibb h LEU 317 N 0.52 0.33 -9.96 2.35 3.38 -1.92 -3.40 115.31 106.61 3ibb h LEU 317 Ca 0.14 -0.27 -0.53 0.00 0.09 0.00 0.00 57.88 57.31 3ibb h LEU 317 Cb 0.06 -0.09 0.10 0.00 0.09 0.00 0.00 40.66 40.82 3ibb h LEU 317 CO -0.02 0.52 0.65 0.12 0.09 0.00 0.00 178.44 179.80 3ibb s PHE 318 N -5.14 2.66 -1.22 1.13 5.36 -1.15 -4.42 117.98 115.22 3ibb s PHE 318 Ca -0.14 1.35 -0.02 0.00 -0.96 0.00 0.00 56.93 57.16 3ibb s PHE 318 Cb 0.07 -3.78 -0.01 0.00 -0.34 0.00 0.00 43.02 38.96 3ibb s PHE 318 CO 0.73 -2.45 0.86 0.00 -1.46 0.00 0.00 175.22 172.89 3ibb n ALA 319 N -0.00 -2.12 0.24 11.12 0.00 -1.26 -4.76 120.51 123.73 3ibb n ALA 319 Ca 0.04 -0.08 0.18 0.00 0.00 0.00 0.00 53.44 53.57 3ibb n ALA 319 Cb 0.43 -2.82 0.89 0.00 0.00 0.00 0.00 19.45 17.95 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 -1.77 0.00 0.00 0.00 0.11 -1.78 0.43 132.00 128.99 3ibb h PRO 320 Ca -0.61 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.50 3ibb h PRO 320 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3ibb h PRO 320 CO 0.51 0.00 0.00 -2.95 -0.21 0.00 0.00 178.00 175.35 3ibb h ASN 321 N 0.00 0.00 -4.25 -2.05 -1.07 -1.86 -3.37 115.58 102.99 3ibb h ASN 321 Ca 0.06 0.00 -0.63 0.00 0.07 0.00 0.00 56.30 55.80 3ibb h ASN 321 Cb 0.40 0.00 -0.25 0.00 -2.07 0.00 0.00 38.32 36.40 3ibb h ASN 321 CO -0.00 0.00 -0.86 -0.51 0.07 0.00 0.00 177.43 176.13 3ibb s ILE 322 N -3.55 1.89 -0.14 6.14 2.07 0.14 0.12 121.20 127.87 3ibb s ILE 322 Ca 0.01 -1.35 0.02 0.00 -1.41 0.00 0.00 60.65 57.93 3ibb s ILE 322 Cb 0.09 -1.64 0.00 0.00 0.13 0.00 0.00 42.46 41.04 3ibb s ILE 322 CO 0.42 0.23 -0.20 -0.76 -1.91 0.00 0.00 174.94 172.72 3ibb s LEU 323 N -1.34 2.26 -0.05 8.50 1.43 -0.49 -4.91 118.68 124.07 3ibb s LEU 323 Ca 0.09 -0.54 0.03 0.00 -1.03 0.00 0.00 54.13 52.68 3ibb s LEU 323 Cb -0.09 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.64 3ibb s LEU 323 CO 0.02 0.09 -0.13 0.42 0.23 0.00 0.00 176.35 176.99 3ibb s THR 324 N 0.74 1.16 0.26 5.49 -4.23 -1.25 -1.92 115.64 115.89 3ibb s THR 324 Ca -0.08 -0.53 -0.20 0.00 -1.18 0.00 0.00 61.69 59.70 3ibb s THR 324 Cb -0.16 -1.03 0.02 0.00 1.34 0.00 0.00 72.50 72.67 3ibb s THR 324 CO 0.00 0.35 0.68 -0.83 -0.54 0.00 0.00 174.62 174.28 3ibb s GLY 325 N 0.40 -0.07 0.13 3.99 0.00 -1.00 -0.21 107.32 110.57 3ibb s GLY 325 Ca -0.10 -0.30 0.09 0.00 0.00 0.00 0.00 44.72 44.41 3ibb s GLY 325 CO 0.03 -0.13 -0.20 -1.36 0.00 0.00 0.00 173.10 171.44 3ibb s PHE 326 N -3.91 1.84 0.21 1.90 0.08 0.11 -1.31 117.98 116.89 3ibb s PHE 326 Ca 0.11 -0.44 -0.19 0.00 0.12 0.00 0.00 56.93 56.53 3ibb s PHE 326 Cb -0.05 -0.97 0.03 0.00 -0.57 0.00 0.00 43.02 41.47 3ibb s PHE 326 CO 0.05 0.27 0.58 0.20 -0.10 0.00 0.00 175.22 176.22 3ibb s GLY 327 N -2.24 -0.19 -0.15 4.36 0.00 -0.64 -1.28 107.32 107.18 3ibb s GLY 327 Ca 0.11 -0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.73 3ibb s GLY 327 CO 0.05 -0.14 -0.19 0.50 0.00 0.00 0.00 173.10 173.33 3ibb s ARG 328 N -3.86 3.11 -0.20 2.90 0.52 -1.25 -0.10 118.95 120.06 3ibb s ARG 328 Ca 0.08 -0.80 -0.00 0.00 -0.52 0.00 0.00 55.73 54.48 3ibb s ARG 328 Cb -0.02 -2.54 0.02 0.00 0.52 0.00 0.00 34.95 32.92 3ibb s ARG 328 CO -0.02 -0.02 -0.14 0.08 0.02 0.00 0.00 175.30 175.21 3ibb s VAL 329 N 0.88 2.50 -1.41 3.52 1.01 -0.97 0.11 120.40 126.04 3ibb s VAL 329 Ca -0.05 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 60.98 3ibb s VAL 329 Cb -0.15 -2.13 0.04 0.00 0.00 0.00 0.00 36.38 34.14 3ibb s VAL 329 CO -0.02 0.44 0.90 -0.62 0.00 0.00 0.00 175.10 175.79 3ibb n GLU 330 N 4.66 -5.63 -3.59 2.72 1.02 -1.26 -2.84 120.64 115.72 3ibb n GLU 330 Ca -0.19 0.64 -0.23 0.00 -0.02 0.00 0.00 57.16 57.36 3ibb n GLU 330 Cb 0.49 -5.43 0.08 0.00 -0.02 0.00 0.00 31.44 26.56 3ibb n GLU 330 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ibb n GLY 331 N -1.66 -0.49 3.08 0.62 0.00 -1.26 -3.57 105.19 101.91 3ibb n GLY 331 Ca -0.11 0.21 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 -6.12 0.58 0.31 1.61 0.52 -1.13 -1.29 118.95 113.43 3ibb s ARG 332 Ca 0.44 -0.78 -0.29 0.00 -0.52 0.00 0.00 55.73 54.58 3ibb s ARG 332 Cb -0.20 -0.40 -0.10 0.00 0.52 0.00 0.00 34.95 34.77 3ibb s ARG 332 CO 0.74 0.08 1.37 -2.14 0.02 0.00 0.00 175.30 175.37 3ibb s PRO 333 N -1.57 4.30 0.06 3.54 0.02 -1.26 -2.28 135.00 137.80 3ibb s PRO 333 Ca -0.08 2.29 0.01 0.00 0.02 0.00 0.00 61.00 63.24 3ibb s PRO 333 Cb -0.10 -3.07 -0.03 0.00 0.02 0.00 0.00 34.50 31.32 3ibb s PRO 333 CO 0.01 -0.31 -0.06 0.14 -0.33 0.00 0.00 177.00 176.45 3ibb s VAL 334 N -0.74 0.49 -0.06 3.83 -7.23 0.86 -4.29 120.40 113.26 3ibb s VAL 334 Ca 0.53 -1.49 0.05 0.00 -1.81 0.00 0.00 61.98 59.26 3ibb s VAL 334 Cb -0.41 -1.10 -0.01 0.00 0.56 0.00 0.00 36.38 35.42 3ibb s VAL 334 CO 0.51 -0.68 -0.22 -0.83 -0.31 0.00 0.00 175.10 173.57 3ibb s GLY 335 N -2.31 1.19 -0.18 2.32 0.00 0.12 -1.62 107.32 106.83 3ibb s GLY 335 Ca -0.00 -0.93 -0.01 0.00 0.00 0.00 0.00 44.72 43.78 3ibb s GLY 335 CO -0.03 -0.50 -0.13 -0.42 0.00 0.00 0.00 173.10 172.02 3ibb s ILE 336 N -0.00 2.70 -0.18 0.90 1.01 -0.43 -1.10 121.20 124.10 3ibb s ILE 336 Ca -0.07 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 59.84 3ibb s ILE 336 Cb -0.14 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 40.16 3ibb s ILE 336 CO 0.04 0.49 -0.14 -0.69 0.00 0.00 0.00 174.94 174.65 3ibb s VAL 337 N 1.16 2.66 0.01 2.92 1.01 -1.22 -2.37 120.40 124.57 3ibb s VAL 337 Ca 0.01 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 3ibb s VAL 337 Cb -0.14 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 3ibb s VAL 337 CO -0.05 0.50 0.02 0.00 0.00 0.00 0.00 175.10 175.57 3ibb s ALA 338 N 1.17 -0.03 -0.05 5.51 0.00 -0.81 -2.47 121.76 125.08 3ibb s ALA 338 Ca 0.01 -0.40 -0.22 0.00 0.00 0.00 0.00 51.96 51.35 3ibb s ALA 338 Cb -0.14 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 3ibb s ALA 338 CO -0.06 -0.16 0.65 -0.80 0.00 0.00 0.00 175.76 175.39 3ibb s ASN 339 N -1.33 6.96 -0.46 0.00 -0.87 -0.39 -1.40 114.94 117.45 3ibb s ASN 339 Ca -0.14 1.15 -0.15 0.00 -1.57 0.00 0.00 52.86 52.14 3ibb s ASN 339 Cb -0.09 -2.39 0.06 0.00 -0.02 0.00 0.00 41.25 38.82 3ibb s ASN 339 CO -0.00 -0.04 0.37 -1.58 -2.57 0.00 0.00 177.10 173.28 3ibb s GLN 340 N 0.48 2.98 0.39 -0.60 0.74 0.31 -4.60 119.66 119.37 3ibb s GLN 340 Ca 0.34 -1.26 0.18 0.00 0.05 0.00 0.00 55.36 54.67 3ibb s GLN 340 Cb -0.18 -4.09 1.08 0.00 1.10 0.00 0.00 33.01 30.92 3ibb s GLN 340 CO 0.17 -0.96 1.78 -1.35 -0.55 0.00 0.00 175.29 174.38 3ibb h PRO 341 N 8.72 0.40 -0.74 1.67 0.11 -1.82 -2.28 132.00 138.05 3ibb h PRO 341 Ca -0.28 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.79 3ibb h PRO 341 Cb 1.11 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 3ibb h PRO 341 CO 0.84 0.27 0.39 0.52 -0.21 0.00 0.00 178.00 179.80 3ibb h MET 342 N 0.41 1.04 -5.17 1.05 2.86 -1.91 -2.23 114.93 110.98 3ibb h MET 342 Ca 0.58 -0.13 -0.65 0.00 -2.06 0.00 0.00 59.70 57.44 3ibb h MET 342 Cb 1.44 -0.20 -0.26 0.00 0.06 0.00 0.00 31.60 32.64 3ibb h MET 342 CO -0.29 0.78 -0.72 -0.65 1.06 0.00 0.00 176.91 177.09 3ibb s GLN 343 N -5.65 3.46 -1.47 1.72 -1.52 -1.14 -4.55 119.66 110.51 3ibb s GLN 343 Ca -0.11 -0.61 -0.05 0.00 -1.95 0.00 0.00 55.36 52.63 3ibb s GLN 343 Cb 0.17 -2.87 0.02 0.00 -0.22 0.00 0.00 33.01 30.11 3ibb s GLN 343 CO 0.81 0.04 0.46 1.19 -0.25 0.00 0.00 175.29 177.54 3ibb n PHE 344 N 4.07 -1.78 -3.56 0.91 3.01 -1.26 -2.23 117.46 116.63 3ibb n PHE 344 Ca -0.18 0.41 -0.26 0.00 1.01 0.00 0.00 57.45 58.43 3ibb n PHE 344 Cb 0.52 -3.89 0.03 0.00 -0.01 0.00 0.00 39.48 36.13 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 -3.28 -1.18 -1.92 4.37 0.00 -0.85 -0.47 120.51 117.18 3ibb n ALA 345 Ca -0.10 0.24 -0.20 0.00 0.00 0.00 0.00 53.44 53.38 3ibb n ALA 345 Cb 0.61 -4.26 -0.05 0.00 0.00 0.00 0.00 19.45 15.74 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 -1.62 0.90 3.89 0.00 0.00 -0.87 -4.42 105.19 103.06 3ibb n GLY 346 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 3ibb n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibb s LEU 348 N -5.06 4.30 0.09 0.00 2.96 -1.25 -4.84 118.68 114.89 3ibb s LEU 348 Ca 0.53 0.37 0.04 0.00 -0.22 0.00 0.00 54.13 54.86 3ibb s LEU 348 Cb -0.11 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 3ibb s LEU 348 CO 0.50 0.29 0.03 -0.62 -1.32 0.00 0.00 176.35 175.23 3ibb s ASP 349 N -0.33 5.21 0.31 3.68 2.15 -1.26 -1.52 116.67 124.91 3ibb s ASP 349 Ca 0.12 -0.13 0.06 0.00 0.43 0.00 0.00 52.55 53.04 3ibb s ASP 349 Cb -0.12 -1.30 0.84 0.00 -0.30 0.00 0.00 42.92 42.04 3ibb s ASP 349 CO 0.01 0.17 1.66 0.40 -0.17 0.00 0.00 175.17 177.24 3ibb h ILE 350 N 2.72 0.35 -0.55 4.11 2.04 -1.96 2.52 117.51 126.74 3ibb h ILE 350 Ca -0.47 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 3ibb h ILE 350 Cb 1.17 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 3ibb h ILE 350 CO 0.62 0.05 0.27 0.71 0.00 0.00 0.00 178.15 179.80 3ibb h THR 351 N 0.30 1.20 -0.04 -0.27 1.35 -1.98 -2.68 112.91 110.79 3ibb h THR 351 Ca 0.61 -0.57 -0.00 0.00 -0.55 0.00 0.00 66.41 65.90 3ibb h THR 351 Cb 1.28 0.56 -0.00 0.00 -1.73 0.00 0.00 68.15 68.26 3ibb h THR 351 CO -0.61 0.23 0.01 0.00 -0.25 0.00 0.00 175.52 174.90 3ibb h ALA 352 N 1.10 0.05 -0.40 6.62 0.00 0.39 -1.67 119.26 125.36 3ibb h ALA 352 Ca 0.19 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3ibb h ALA 352 Cb 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3ibb h ALA 352 CO -0.02 -0.33 -0.10 0.66 0.00 0.00 0.00 179.25 179.46 3ibb h SER 353 N -0.15 0.68 -0.04 0.00 4.64 -1.23 -2.87 113.55 114.58 3ibb h SER 353 Ca 0.01 -0.19 0.01 0.00 -0.47 0.00 0.00 61.79 61.16 3ibb h SER 353 Cb 0.23 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 3ibb h SER 353 CO -0.00 0.81 -0.03 -0.08 -0.87 0.00 0.00 176.83 176.66 3ibb h GLU 354 N 0.63 -0.04 -0.08 4.77 4.57 -1.16 0.13 114.58 123.41 3ibb h GLU 354 Ca 0.11 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.27 3ibb h GLU 354 Cb 0.54 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.14 3ibb h GLU 354 CO 0.03 -0.02 -0.06 -0.22 -1.18 0.00 0.00 179.01 177.55 3ibb h LYS 355 N -0.04 0.19 -0.61 1.92 3.11 -1.39 -3.15 116.57 116.60 3ibb h LYS 355 Ca 0.03 -0.09 -0.05 0.00 -2.81 0.00 0.00 60.65 57.73 3ibb h LYS 355 Cb 0.08 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.28 3ibb h LYS 355 CO -0.07 0.60 0.19 0.00 -2.81 0.00 0.00 179.45 177.36 3ibb h ALA 356 N 0.59 1.19 -0.81 5.00 0.00 -1.46 -3.13 119.26 120.63 3ibb h ALA 356 Ca 0.01 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3ibb h ALA 356 Cb 0.55 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3ibb h ALA 356 CO 0.02 0.57 0.35 0.00 0.00 0.00 0.00 179.25 180.19 3ibb h ALA 357 N 1.31 1.09 -0.44 0.00 0.00 -0.76 -0.39 119.26 120.07 3ibb h ALA 357 Ca 0.20 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3ibb h ALA 357 Cb 0.26 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3ibb h ALA 357 CO -0.01 0.66 0.20 -0.09 0.00 0.00 0.00 179.25 180.02 3ibb h ARG 358 N 1.17 0.64 -0.70 0.00 1.12 -1.56 -1.54 114.38 113.52 3ibb h ARG 358 Ca 0.27 -0.10 -0.03 0.00 -1.11 0.00 0.00 59.98 59.01 3ibb h ARG 358 Cb 0.17 -0.11 -0.03 0.00 -0.01 0.00 0.00 29.97 29.99 3ibb h ARG 358 CO -0.03 0.56 0.31 0.35 -3.11 0.00 0.00 179.97 178.05 3ibb h PHE 359 N 0.57 1.02 -0.14 2.20 3.57 -1.31 0.68 116.94 123.52 3ibb h PHE 359 Ca 0.15 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 3ibb h PHE 359 Cb 0.14 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 3ibb h PHE 359 CO -0.01 0.76 0.01 0.28 -2.23 0.00 0.00 178.31 177.12 3ibb h VAL 360 N 1.00 1.24 -0.53 1.41 2.07 -0.89 -1.27 116.25 119.29 3ibb h VAL 360 Ca 0.24 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 3ibb h VAL 360 Cb 0.14 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 3ibb h VAL 360 CO -0.03 0.23 0.26 0.03 0.02 0.00 0.00 177.57 178.08 3ibb h ARG 361 N -0.00 0.76 -0.19 1.57 3.08 -0.79 -1.28 114.38 117.53 3ibb h ARG 361 Ca 0.04 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 3ibb h ARG 361 Cb 0.34 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3ibb h ARG 361 CO 0.01 0.62 0.04 1.15 -1.07 0.00 0.00 179.97 180.72 3ibb h THR 362 N 0.71 1.21 -0.43 2.04 2.02 0.34 -1.18 112.91 117.63 3ibb h THR 362 Ca 0.18 -0.69 -0.06 0.00 0.77 0.00 0.00 66.41 66.61 3ibb h THR 362 Cb 0.11 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 3ibb h THR 362 CO -0.02 0.21 0.00 0.00 0.37 0.00 0.00 175.52 176.08 3ibb h ASP 364 N 0.65 0.93 -0.72 0.00 3.58 -1.15 -0.80 116.42 118.90 3ibb h ASP 364 Ca 0.13 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.54 3ibb h ASP 364 Cb 0.40 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 41.18 3ibb h ASP 364 CO 0.02 0.70 0.44 0.00 -2.88 0.00 0.00 179.24 177.51 3ibb h ALA 365 N 1.47 0.92 -0.57 -0.78 0.00 -0.33 -3.03 119.26 116.93 3ibb h ALA 365 Ca 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3ibb h ALA 365 Cb -0.08 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.42 3ibb h ALA 365 CO -0.06 0.39 0.00 1.19 0.00 0.00 0.00 179.25 180.77 3ibb n PHE 366 N -4.53 0.76 -3.15 0.00 3.72 -1.14 -4.86 117.46 108.27 3ibb n PHE 366 Ca 0.06 -0.38 -0.14 0.00 -0.05 0.00 0.00 57.45 56.94 3ibb n PHE 366 Cb 0.05 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.66 3ibb n PHE 366 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3ibb n ASN 367 N 1.45 -3.86 -4.27 4.37 4.13 -1.15 -4.43 115.26 111.51 3ibb n ASN 367 Ca 0.22 -0.58 -0.33 0.00 1.68 0.00 0.00 54.58 55.57 3ibb n ASN 367 Cb 0.58 -4.57 -0.15 0.00 -1.54 0.00 0.00 39.78 34.09 3ibb n ASN 367 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3ibb s VAL 368 N -3.33 2.59 0.29 2.41 1.01 -0.32 -4.34 120.40 118.71 3ibb s VAL 368 Ca 0.18 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 3ibb s VAL 368 Cb -0.02 -2.08 -0.10 0.00 0.00 0.00 0.00 36.38 34.18 3ibb s VAL 368 CO 0.64 0.53 1.45 -2.84 0.00 0.00 0.00 175.10 174.87 3ibb s PRO 369 N 0.68 4.24 -0.18 2.72 0.02 -1.26 -4.36 135.00 136.86 3ibb s PRO 369 Ca -0.08 2.37 -0.04 0.00 0.02 0.00 0.00 61.00 63.27 3ibb s PRO 369 Cb -0.16 -3.07 -0.02 0.00 0.02 0.00 0.00 34.50 31.27 3ibb s PRO 369 CO 0.02 -0.43 -0.03 0.08 -0.33 0.00 0.00 177.00 176.31 3ibb s VAL 370 N -0.34 3.76 -0.19 3.83 1.01 -0.91 0.11 120.40 127.68 3ibb s VAL 370 Ca 0.57 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 3ibb s VAL 370 Cb -0.43 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 3ibb s VAL 370 CO 0.48 0.46 0.01 -0.76 0.00 0.00 0.00 175.10 175.28 3ibb s LEU 371 N 0.82 3.36 -0.08 3.92 1.43 -0.26 -2.48 118.68 125.38 3ibb s LEU 371 Ca -0.01 -0.14 0.05 0.00 -1.03 0.00 0.00 54.13 53.00 3ibb s LEU 371 Cb -0.14 -1.85 -0.00 0.00 0.03 0.00 0.00 46.19 44.23 3ibb s LEU 371 CO 0.02 0.10 -0.22 0.28 0.23 0.00 0.00 176.35 176.75 3ibb s THR 372 N 0.79 1.90 -0.19 5.49 -1.32 -0.20 -3.40 115.64 118.70 3ibb s THR 372 Ca 0.01 -0.95 -0.02 0.00 -1.21 0.00 0.00 61.69 59.52 3ibb s THR 372 Cb -0.14 -1.63 -0.00 0.00 -1.51 0.00 0.00 72.50 69.21 3ibb s THR 372 CO 0.02 0.53 -0.10 -0.36 -2.21 0.00 0.00 174.62 172.50 3ibb s PHE 373 N 0.18 2.88 -0.22 9.09 0.40 -1.03 -0.18 117.98 129.09 3ibb s PHE 373 Ca -0.12 -1.09 0.01 0.00 -0.60 0.00 0.00 56.93 55.13 3ibb s PHE 373 Cb -0.16 -2.01 0.03 0.00 0.51 0.00 0.00 43.02 41.40 3ibb s PHE 373 CO 0.06 -0.57 -0.13 0.08 0.70 0.00 0.00 175.22 175.36 3ibb s VAL 374 N 1.25 2.31 -0.50 -0.44 1.01 -0.47 -1.26 120.40 122.30 3ibb s VAL 374 Ca 0.03 -1.18 0.07 0.00 0.00 0.00 0.00 61.98 60.90 3ibb s VAL 374 Cb -0.14 -2.15 0.27 0.00 0.00 0.00 0.00 36.38 34.36 3ibb s VAL 374 CO -0.04 0.27 0.68 -0.67 0.00 0.00 0.00 175.10 175.33 3ibb n ASP 375 N 4.57 2.08 -4.33 3.32 -0.08 -1.26 -3.22 116.55 117.62 3ibb n ASP 375 Ca -0.18 -3.12 -0.36 0.00 -1.51 0.00 0.00 54.79 49.62 3ibb n ASP 375 Cb 0.47 -0.64 -0.13 0.00 2.34 0.00 0.00 41.12 43.16 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 -2.19 3.71 -0.59 5.18 0.11 -0.63 -4.65 120.40 121.35 3ibb s VAL 376 Ca 0.39 -0.59 -0.20 0.00 -2.93 0.00 0.00 61.98 58.66 3ibb s VAL 376 Cb 0.20 -2.82 0.09 0.00 -1.53 0.00 0.00 36.38 32.32 3ibb s VAL 376 CO -0.07 0.24 0.73 -2.16 -3.33 0.00 0.00 175.10 170.51 3ibb s PRO 377 N 1.49 3.07 2.86 1.54 0.04 -1.21 -2.43 135.00 140.36 3ibb s PRO 377 Ca 0.04 -1.16 0.00 0.00 0.04 0.00 0.00 61.00 59.92 3ibb s PRO 377 Cb -0.16 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 30.15 3ibb s PRO 377 CO 0.00 -1.53 0.00 0.41 0.04 0.00 0.00 177.00 175.92 3ibb n GLY 378 N 5.27 -0.43 3.13 0.56 0.00 -1.18 -4.64 105.19 107.90 3ibb n GLY 378 Ca -0.08 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 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 0.00 0.71 0.38 1.61 0.40 -1.26 -3.97 117.98 115.85 3ibb s PHE 379 Ca 0.00 -0.99 -0.28 0.00 -0.60 0.00 0.00 56.93 55.06 3ibb s PHE 379 Cb 0.00 -0.45 -0.10 0.00 0.51 0.00 0.00 43.02 42.98 3ibb s PHE 379 CO 0.00 -0.26 1.41 -1.17 0.70 0.00 0.00 175.22 175.89 3ibb s LEU 380 N -2.98 4.30 -0.28 -0.37 2.96 -0.57 -4.76 118.68 116.98 3ibb s LEU 380 Ca 0.10 2.89 -0.10 0.00 -0.22 0.00 0.00 54.13 56.79 3ibb s LEU 380 Cb 0.07 -3.73 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 3ibb s LEU 380 CO -0.07 -0.83 0.16 -2.84 -1.32 0.00 0.00 176.35 171.45 3ibb s PRO 381 N -2.09 3.81 -0.09 0.98 0.02 -1.26 -4.97 135.00 131.41 3ibb s PRO 381 Ca 0.53 -0.40 -0.22 0.00 0.02 0.00 0.00 61.00 60.94 3ibb s PRO 381 Cb -0.43 -3.58 0.05 0.00 0.02 0.00 0.00 34.50 30.55 3ibb s PRO 381 CO 0.58 -0.21 0.51 0.20 -0.33 0.00 0.00 177.00 177.74 3ibb s GLY 382 N 1.71 -0.38 0.27 0.52 0.00 -1.26 -4.96 107.32 103.22 3ibb s GLY 382 Ca 0.07 1.05 -0.01 0.00 0.00 0.00 0.00 44.72 45.82 3ibb s GLY 382 CO 0.09 0.79 1.79 -2.08 0.00 0.00 0.00 173.10 173.69 3ibb h VAL 383 N 3.70 1.23 -0.31 1.40 2.07 -2.00 -2.47 116.25 119.86 3ibb h VAL 383 Ca -0.28 -0.92 -0.14 0.00 0.82 0.00 0.00 66.70 66.18 3ibb h VAL 383 Cb 1.16 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 3ibb h VAL 383 CO 0.32 0.33 -0.35 -2.24 0.02 0.00 0.00 177.57 175.65 3ibb h ASP 384 N 0.75 0.75 -0.40 0.57 2.03 -1.98 -1.46 116.42 116.68 3ibb h ASP 384 Ca 0.16 -0.32 -0.04 0.00 -0.73 0.00 0.00 57.03 56.10 3ibb h ASP 384 Cb 0.39 -0.21 -0.02 0.00 -0.83 0.00 0.00 39.33 38.66 3ibb h ASP 384 CO 0.01 1.03 0.10 1.56 -1.03 0.00 0.00 179.24 180.91 3ibb h GLN 385 N 0.59 0.64 -0.49 4.15 1.08 -1.82 -0.10 115.11 119.16 3ibb h GLN 385 Ca 0.06 -0.15 -0.07 0.00 -1.45 0.00 0.00 58.65 57.03 3ibb h GLN 385 Cb 0.88 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.20 3ibb h GLN 385 CO 0.08 0.66 0.01 0.93 -0.95 0.00 0.00 178.83 179.55 3ibb h GLU 386 N 0.50 0.81 -0.37 1.46 4.39 -1.62 -0.50 114.58 119.26 3ibb h GLU 386 Ca 0.13 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 3ibb h GLU 386 Cb 0.31 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 3ibb h GLU 386 CO 0.00 0.81 0.22 0.45 -1.16 0.00 0.00 179.01 179.33 3ibb h HIS 387 N 0.76 0.49 -0.62 4.33 3.86 -0.76 -2.59 115.15 120.61 3ibb h HIS 387 Ca 0.15 -0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.30 3ibb h HIS 387 Cb 0.45 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.73 3ibb h HIS 387 CO 0.02 0.36 0.17 -0.44 0.86 0.00 0.00 177.93 178.91 3ibb h ASP 388 N 0.48 0.90 0.00 2.45 3.32 -1.17 -3.46 116.42 118.93 3ibb h ASP 388 Ca 0.13 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3ibb h ASP 388 Cb 0.02 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.33 3ibb h ASP 388 CO -0.02 0.86 0.00 0.61 -1.72 0.00 0.00 179.24 178.96 3ibb n GLY 389 N -0.82 0.65 0.33 2.75 0.00 -0.98 -4.99 105.19 102.12 3ibb n GLY 389 Ca 0.05 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.23 3ibb n GLY 389 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3ibb h ILE 390 N 0.00 0.51 -0.72 -0.61 2.10 -1.21 0.22 117.51 117.81 3ibb h ILE 390 Ca 0.00 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.91 3ibb h ILE 390 Cb 0.00 0.86 -0.03 0.00 -1.09 0.00 0.00 36.82 36.56 3ibb h ILE 390 CO 0.00 0.00 0.33 0.40 -1.08 0.00 0.00 178.15 177.80 3ibb h ILE 391 N 0.00 1.24 0.46 2.19 2.04 -1.86 0.71 117.51 122.29 3ibb h ILE 391 Ca 0.08 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.23 3ibb h ILE 391 Cb 0.42 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3ibb h ILE 391 CO -0.00 0.28 -0.22 0.08 0.00 0.00 0.00 178.15 178.30 3ibb h ARG 392 N 1.01 -0.59 -0.17 2.37 0.11 -0.97 -3.36 114.38 112.78 3ibb h ARG 392 Ca 0.25 0.04 -0.03 0.00 0.10 0.00 0.00 59.98 60.33 3ibb h ARG 392 Cb 0.14 0.13 -0.01 0.00 1.11 0.00 0.00 29.97 31.35 3ibb h ARG 392 CO -0.03 -0.30 -0.02 0.00 0.10 0.00 0.00 179.97 179.73 3ibb h ARG 393 N -0.84 0.31 -0.49 0.08 3.08 -0.90 -2.94 114.38 112.68 3ibb h ARG 393 Ca -0.06 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 59.84 3ibb h ARG 393 Cb 0.56 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 3ibb h ARG 393 CO 0.10 0.56 0.13 0.78 -1.07 0.00 0.00 179.97 180.47 3ibb h GLY 394 N 0.04 0.79 2.00 0.04 0.00 0.16 -2.86 103.07 103.25 3ibb h GLY 394 Ca 0.05 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 3ibb h GLY 394 CO 0.01 0.41 -0.02 0.00 0.00 0.00 0.00 176.54 176.94 3ibb h ALA 395 N 1.43 1.60 -0.34 3.60 0.00 -1.66 -0.48 119.26 123.41 3ibb h ALA 395 Ca 0.16 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.15 3ibb h ALA 395 Cb 0.25 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3ibb h ALA 395 CO -0.00 0.03 0.25 0.87 0.00 0.00 0.00 179.25 180.40 3ibb h LYS 396 N 0.00 0.00 -0.46 0.00 1.57 -1.56 0.26 116.57 116.37 3ibb h LYS 396 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3ibb h LYS 396 Cb 0.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3ibb h LYS 396 CO 0.00 0.00 0.19 1.25 -0.57 0.00 0.00 179.45 180.32 3ibb h LEU 397 N 0.00 0.64 -0.56 2.94 5.85 -1.29 -0.03 115.31 122.85 3ibb h LEU 397 Ca 0.16 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3ibb h LEU 397 Cb 0.66 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 3ibb h LEU 397 CO -0.00 0.62 0.26 0.16 -0.34 0.00 0.00 178.44 179.14 3ibb h ILE 398 N 0.61 1.21 -0.68 4.05 -0.00 -0.67 -3.01 117.51 119.02 3ibb h ILE 398 Ca 0.16 -0.62 -0.03 0.00 -0.00 0.00 0.00 64.86 64.36 3ibb h ILE 398 Cb 0.18 0.58 -0.03 0.00 -0.00 0.00 0.00 36.82 37.55 3ibb h ILE 398 CO -0.01 0.25 0.29 0.15 -0.00 0.00 0.00 178.15 178.83 3ibb h PHE 399 N 0.77 1.02 -0.20 0.16 3.57 -1.07 0.62 116.94 121.80 3ibb h PHE 399 Ca 0.19 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 3ibb h PHE 399 Cb 0.15 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 3ibb h PHE 399 CO 0.00 0.78 0.06 0.00 -2.23 0.00 0.00 178.31 176.92 3ibb h ALA 400 N 1.13 0.27 -0.55 2.41 0.00 -0.90 -0.15 119.26 121.48 3ibb h ALA 400 Ca 0.23 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3ibb h ALA 400 Cb 0.17 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3ibb h ALA 400 CO -0.02 -0.10 0.13 1.88 0.00 0.00 0.00 179.25 181.13 3ibb h TYR 401 N 0.16 0.88 0.03 0.00 0.05 -1.50 -2.20 116.97 114.38 3ibb h TYR 401 Ca 0.07 -0.08 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 3ibb h TYR 401 Cb 0.24 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 37.73 3ibb h TYR 401 CO 0.00 0.74 -0.01 0.00 -1.05 0.00 0.00 178.16 177.84 3ibb h ALA 402 N 1.32 -0.03 -0.59 3.88 0.00 -0.45 -2.63 119.26 120.76 3ibb h ALA 402 Ca 0.18 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3ibb h ALA 402 Cb 0.31 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3ibb h ALA 402 CO -0.00 -0.51 0.13 1.05 0.00 0.00 0.00 179.25 179.92 3ibb h GLU 403 N -0.04 0.94 -6.67 0.00 4.11 -0.99 -3.46 114.58 108.47 3ibb h GLU 403 Ca -0.00 -0.23 -0.53 0.00 0.07 0.00 0.00 59.36 58.67 3ibb h GLU 403 Cb 0.03 -0.12 0.05 0.00 0.50 0.00 0.00 28.75 29.21 3ibb h GLU 403 CO 0.01 0.88 0.83 0.00 0.07 0.00 0.00 179.01 180.79 3ibb s ALA 404 N -5.29 3.71 -1.81 1.06 0.00 -0.83 -4.90 121.76 113.70 3ibb s ALA 404 Ca -0.12 1.36 0.18 0.00 0.00 0.00 0.00 51.96 53.37 3ibb s ALA 404 Cb 0.13 -3.60 0.03 0.00 0.00 0.00 0.00 23.12 19.68 3ibb s ALA 404 CO 0.82 -0.77 0.96 0.25 0.00 0.00 0.00 175.76 177.02 3ibb n THR 405 N 3.24 0.00 -1.92 0.00 -2.24 -1.26 -4.98 114.28 107.12 3ibb n THR 405 Ca 0.11 -0.36 -0.32 0.00 -2.27 0.00 0.00 64.05 61.21 3ibb n THR 405 Cb 0.39 1.25 0.02 0.00 -2.10 0.00 0.00 70.33 69.90 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 -1.95 3.92 0.21 2.28 -7.23 -1.26 -4.71 120.40 111.65 3ibb s VAL 406 Ca 0.17 0.82 -0.31 0.00 -1.81 0.00 0.00 61.98 60.84 3ibb s VAL 406 Cb 0.15 -3.40 -0.11 0.00 0.56 0.00 0.00 36.38 33.57 3ibb s VAL 406 CO 0.40 -0.62 1.65 -2.84 -0.31 0.00 0.00 175.10 173.38 3ibb s PRO 407 N -4.37 4.16 -0.19 4.82 0.02 -1.26 -4.82 135.00 133.35 3ibb s PRO 407 Ca 0.62 2.52 -0.05 0.00 0.02 0.00 0.00 61.00 64.10 3ibb s PRO 407 Cb -0.15 -3.09 -0.03 0.00 0.02 0.00 0.00 34.50 31.25 3ibb s PRO 407 CO 0.42 -0.68 0.01 -0.51 -0.33 0.00 0.00 177.00 175.91 3ibb s LEU 408 N 0.84 3.37 -0.09 -5.54 2.01 -1.26 -2.13 118.68 115.87 3ibb s LEU 408 Ca 0.71 -0.13 0.04 0.00 0.01 0.00 0.00 54.13 54.76 3ibb s LEU 408 Cb -0.47 -1.85 0.00 0.00 0.01 0.00 0.00 46.19 43.88 3ibb s LEU 408 CO 0.35 0.10 -0.23 -0.63 1.01 0.00 0.00 176.35 176.95 3ibb s ILE 409 N 0.78 1.97 -0.08 -0.59 1.01 -1.04 -2.46 121.20 120.79 3ibb s ILE 409 Ca 0.01 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 59.73 3ibb s ILE 409 Cb -0.14 -1.70 -0.00 0.00 0.01 0.00 0.00 42.46 40.63 3ibb s ILE 409 CO 0.02 0.54 -0.21 -0.89 0.00 0.00 0.00 174.94 174.40 3ibb s THR 410 N 0.34 1.80 -0.02 2.92 2.01 -0.84 -1.04 115.64 120.81 3ibb s THR 410 Ca -0.17 -0.89 0.04 0.00 0.31 0.00 0.00 61.69 60.98 3ibb s THR 410 Cb -0.17 -1.55 -0.01 0.00 0.01 0.00 0.00 72.50 70.78 3ibb s THR 410 CO 0.08 0.50 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.67 3ibb s VAL 411 N 0.23 1.22 -0.25 3.82 1.01 0.74 -0.16 120.40 127.02 3ibb s VAL 411 Ca -0.12 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 3ibb s VAL 411 Cb -0.16 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.21 3ibb s VAL 411 CO 0.06 0.35 -0.05 -0.63 0.00 0.00 0.00 175.10 174.83 3ibb s ILE 412 N -0.15 3.01 -0.84 2.22 1.01 0.15 -1.37 121.20 125.23 3ibb s ILE 412 Ca 0.02 -0.95 0.21 0.00 0.00 0.00 0.00 60.65 59.93 3ibb s ILE 412 Cb -0.08 -2.52 -0.24 0.00 0.01 0.00 0.00 42.46 39.63 3ibb s ILE 412 CO 0.00 0.21 0.84 0.35 0.00 0.00 0.00 174.94 176.34 3ibb n THR 413 N 4.70 0.00 -2.31 2.92 -2.24 -1.20 -2.53 114.28 113.62 3ibb n THR 413 Ca -0.16 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3ibb n THR 413 Cb 0.47 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 3ibb n THR 413 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3ibb n ARG 414 N -1.63 0.00 -2.15 -0.78 0.63 -1.23 -4.25 116.66 107.26 3ibb n ARG 414 Ca 0.03 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.54 3ibb n ARG 414 Cb 0.37 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.25 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 0.31 4.28 -0.23 -0.14 3.01 -1.26 -4.00 119.74 121.70 3ibb s LYS 415 Ca 0.00 2.08 -0.03 0.00 -1.01 0.00 0.00 55.97 57.01 3ibb s LYS 415 Cb 0.00 -3.46 0.01 0.00 -1.01 0.00 0.00 37.83 33.37 3ibb s LYS 415 CO 0.00 -0.56 -0.06 0.00 0.51 0.00 0.00 175.35 175.25 3ibb s ALA 416 N 1.98 2.74 -0.05 5.17 0.00 0.23 -1.60 121.76 130.23 3ibb s ALA 416 Ca 0.66 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 51.33 3ibb s ALA 416 Cb -0.35 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.09 3ibb s ALA 416 CO 0.29 -0.62 -0.14 -0.06 0.00 0.00 0.00 175.76 175.22 3ibb s PHE 417 N 1.40 1.56 0.00 0.00 0.08 -1.02 -1.38 117.98 118.62 3ibb s PHE 417 Ca 0.03 -0.51 0.00 0.00 0.12 0.00 0.00 56.93 56.57 3ibb s PHE 417 Cb -0.15 -1.09 0.00 0.00 -0.57 0.00 0.00 43.02 41.21 3ibb s PHE 417 CO -0.04 -0.22 0.00 0.41 -0.10 0.00 0.00 175.22 175.27 3ibb n GLY 418 N 3.46 -1.57 0.28 4.36 0.00 0.65 -3.13 105.19 109.24 3ibb n GLY 418 Ca -0.20 -1.32 0.11 0.00 0.00 0.00 0.00 46.02 44.61 3ibb n GLY 418 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ibb h GLY 419 N 0.00 0.00 1.50 -0.02 0.00 -1.88 1.07 103.07 103.74 3ibb h GLY 419 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 3ibb h GLY 419 CO 0.00 0.00 0.19 0.00 0.00 0.00 0.00 176.54 176.73 3ibb h ALA 420 N 1.98 2.19 -0.60 3.60 0.00 -1.88 0.29 119.26 124.84 3ibb h ALA 420 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ibb h ALA 420 Cb 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3ibb h ALA 420 CO 0.00 -0.26 0.36 -0.92 0.00 0.00 0.00 179.25 178.43 3ibb h TYR 421 N 0.05 0.80 -0.72 0.00 3.20 0.12 -1.12 116.97 119.29 3ibb h TYR 421 Ca 0.12 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.93 3ibb h TYR 421 Cb 0.43 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 3ibb h TYR 421 CO -0.00 0.55 0.23 0.00 -1.64 0.00 0.00 178.16 177.30 3ibb h ALA 422 N 1.18 0.94 -0.69 1.82 0.00 -0.56 -3.28 119.26 118.68 3ibb h ALA 422 Ca 0.22 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3ibb h ALA 422 Cb -0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3ibb h ALA 422 CO -0.04 0.61 0.36 0.28 0.00 0.00 0.00 179.25 180.47 3ibb h VAL 423 N 1.06 1.21 -0.52 0.00 2.07 -0.54 -2.98 116.25 116.55 3ibb h VAL 423 Ca 0.23 -0.55 -0.73 0.00 0.82 0.00 0.00 66.70 66.48 3ibb h VAL 423 Cb 0.29 0.30 -0.08 0.00 -1.52 0.00 0.00 31.29 30.28 3ibb h VAL 423 CO -0.01 0.24 2.72 0.23 0.02 0.00 0.00 177.57 180.77 3ibb n MET 424 N -4.36 3.14 -3.52 1.57 2.81 -1.12 -4.53 117.12 111.13 3ibb n MET 424 Ca 0.07 -2.95 -0.26 0.00 -1.81 0.00 0.00 57.70 52.75 3ibb n MET 424 Cb 0.11 -3.15 0.03 0.00 -0.71 0.00 0.00 33.22 29.50 3ibb n MET 424 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ibb n GLY 425 N 3.60 -0.51 3.75 3.03 0.00 -1.25 -4.92 105.19 108.89 3ibb n GLY 425 Ca 0.47 0.16 -0.36 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.01 4.96 0.40 1.61 1.04 -1.12 -4.67 113.70 112.91 3ibb s SER 426 Ca 0.50 2.40 0.10 0.00 0.48 0.00 0.00 55.95 59.43 3ibb s SER 426 Cb -0.25 -2.60 0.88 0.00 0.10 0.00 0.00 66.02 64.16 3ibb s SER 426 CO 0.62 -1.75 1.96 0.50 0.98 0.00 0.00 173.24 175.55 3ibb h LYS 427 N 0.62 0.57 -0.74 4.02 3.64 -1.82 0.03 116.57 122.90 3ibb h LYS 427 Ca -0.50 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.83 3ibb h LYS 427 Cb 1.30 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.96 3ibb h LYS 427 CO 0.54 0.37 0.40 0.45 -2.27 0.00 0.00 179.45 178.95 3ibb h HIS 428 N 0.58 1.00 -0.74 1.91 -0.00 -1.89 0.67 115.15 116.69 3ibb h HIS 428 Ca 0.30 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.63 3ibb h HIS 428 Cb 0.42 -0.32 -0.04 0.00 -0.00 0.00 0.00 27.41 27.47 3ibb h HIS 428 CO -0.00 0.70 0.38 1.25 -0.00 0.00 0.00 177.93 180.26 3ibb h LEU 429 N 1.03 0.93 0.00 2.43 5.85 -1.27 -3.46 115.31 120.82 3ibb h LEU 429 Ca 0.26 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3ibb h LEU 429 Cb 0.03 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.82 3ibb h LEU 429 CO -0.04 0.76 0.00 0.61 -0.34 0.00 0.00 178.44 179.43 3ibb n GLY 430 N -1.15 -0.63 3.76 3.75 0.00 0.23 -4.57 105.19 106.58 3ibb n GLY 430 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 3.47 0.03 4.61 0.00 -1.08 -4.95 121.76 123.83 3ibb s ALA 431 Ca 0.00 1.08 -0.22 0.00 0.00 0.00 0.00 51.96 52.82 3ibb s ALA 431 Cb 0.00 -3.42 -0.16 0.00 0.00 0.00 0.00 23.12 19.54 3ibb s ALA 431 CO 0.00 -0.43 1.38 -0.44 0.00 0.00 0.00 175.76 176.27 3ibb h ASP 432 N 4.11 0.21 -3.73 0.00 3.32 -1.83 -3.42 116.42 115.06 3ibb h ASP 432 Ca -0.47 -0.41 -0.54 0.00 0.02 0.00 0.00 57.03 55.63 3ibb h ASP 432 Cb 1.22 -0.06 -0.32 0.00 0.22 0.00 0.00 39.33 40.39 3ibb h ASP 432 CO 0.69 0.57 -0.83 -0.76 -1.72 0.00 0.00 179.24 177.19 3ibb s LEU 433 N -9.32 1.84 -0.08 1.55 1.43 -1.17 -5.05 118.68 107.90 3ibb s LEU 433 Ca -0.15 -0.33 0.04 0.00 -1.03 0.00 0.00 54.13 52.66 3ibb s LEU 433 Cb 0.04 -0.92 0.00 0.00 0.03 0.00 0.00 46.19 45.35 3ibb s LEU 433 CO 0.71 0.11 -0.19 0.20 0.23 0.00 0.00 176.35 177.41 3ibb s ASN 434 N 0.23 2.51 -0.02 2.29 0.01 -1.26 -1.98 114.94 116.73 3ibb s ASN 434 Ca -0.07 -0.44 0.05 0.00 -0.71 0.00 0.00 52.86 51.69 3ibb s ASN 434 Cb -0.13 -1.04 -0.01 0.00 0.41 0.00 0.00 41.25 40.48 3ibb s ASN 434 CO 0.03 0.13 -0.17 -0.76 -1.51 0.00 0.00 177.10 174.82 3ibb s LEU 435 N 0.35 2.01 -0.08 0.60 1.43 0.77 -0.50 118.68 123.26 3ibb s LEU 435 Ca -0.14 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 52.68 3ibb s LEU 435 Cb -0.16 -0.87 0.01 0.00 0.03 0.00 0.00 46.19 45.20 3ibb s LEU 435 CO 0.06 0.20 -0.16 0.00 0.23 0.00 0.00 176.35 176.68 3ibb s ALA 436 N -0.34 1.56 0.70 4.21 0.00 -0.48 0.33 121.76 127.75 3ibb s ALA 436 Ca 0.05 -0.61 -0.11 0.00 0.00 0.00 0.00 51.96 51.30 3ibb s ALA 436 Cb -0.07 -0.67 0.01 0.00 0.00 0.00 0.00 23.12 22.39 3ibb s ALA 436 CO -0.00 0.13 1.06 -1.58 0.00 0.00 0.00 175.76 175.37 3ibb s TRP 437 N 0.63 3.06 0.43 0.00 0.51 -1.05 0.56 118.94 123.08 3ibb s TRP 437 Ca -0.15 1.44 0.10 0.00 -2.12 0.00 0.00 56.10 55.37 3ibb s TRP 437 Cb -0.16 -2.90 0.94 0.00 -0.81 0.00 0.00 33.47 30.54 3ibb s TRP 437 CO 0.04 -1.29 2.05 -1.35 -0.51 0.00 0.00 176.95 175.89 3ibb h PRO 438 N -0.76 0.35 -0.80 4.98 0.11 -1.91 -0.68 132.00 133.28 3ibb h PRO 438 Ca -0.44 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3ibb h PRO 438 Cb 1.21 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 3ibb h PRO 438 CO 0.56 0.28 0.42 1.79 -0.21 0.00 0.00 178.00 180.84 3ibb h THR 439 N 0.36 1.24 -3.11 -1.15 1.35 -1.93 -3.42 112.91 106.24 3ibb h THR 439 Ca 0.09 -0.64 -0.53 0.00 -0.55 0.00 0.00 66.41 64.79 3ibb h THR 439 Cb 0.05 0.18 0.07 0.00 -1.73 0.00 0.00 68.15 66.72 3ibb h THR 439 CO -0.01 0.28 0.89 0.00 -0.25 0.00 0.00 175.52 176.43 3ibb s ALA 440 N -5.70 3.77 -0.17 6.62 0.00 -0.26 -4.76 121.76 121.26 3ibb s ALA 440 Ca -0.12 1.50 -0.00 0.00 0.00 0.00 0.00 51.96 53.34 3ibb s ALA 440 Cb 0.17 -3.64 -0.00 0.00 0.00 0.00 0.00 23.12 19.65 3ibb s ALA 440 CO 0.82 -0.89 -0.14 -0.65 0.00 0.00 0.00 175.76 174.89 3ibb s GLN 441 N 0.15 3.22 -0.11 0.00 -0.21 -1.26 -2.97 119.66 118.49 3ibb s GLN 441 Ca 0.66 -0.74 0.01 0.00 0.02 0.00 0.00 55.36 55.32 3ibb s GLN 441 Cb -0.46 -2.68 -0.02 0.00 1.00 0.00 0.00 33.01 30.85 3ibb s GLN 441 CO 0.41 -0.04 -0.14 0.42 -2.12 0.00 0.00 175.29 173.82 3ibb s ILE 442 N 0.96 3.00 0.12 1.08 1.01 -1.24 0.77 121.20 126.91 3ibb s ILE 442 Ca -0.02 -0.70 -0.06 0.00 0.00 0.00 0.00 60.65 59.86 3ibb s ILE 442 Cb -0.15 -2.23 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 3ibb s ILE 442 CO -0.02 0.54 0.18 0.00 0.00 0.00 0.00 174.94 175.64 3ibb s ALA 443 N 0.07 0.14 0.14 9.38 0.00 -0.48 -4.42 121.76 126.60 3ibb s ALA 443 Ca -0.06 -0.94 -0.15 0.00 0.00 0.00 0.00 51.96 50.82 3ibb s ALA 443 Cb -0.15 0.67 0.01 0.00 0.00 0.00 0.00 23.12 23.66 3ibb s ALA 443 CO 0.04 -0.54 1.68 -0.24 0.00 0.00 0.00 175.76 176.71 3ibb h VAL 444 N 2.74 1.21 -3.15 0.00 3.04 -1.92 0.19 116.25 118.36 3ibb h VAL 444 Ca -0.33 -0.67 0.04 0.00 -1.01 0.00 0.00 66.70 64.72 3ibb h VAL 444 Cb 1.20 0.81 -0.06 0.00 -2.01 0.00 0.00 31.29 31.23 3ibb h VAL 444 CO 0.55 0.25 0.15 0.00 -1.01 0.00 0.00 177.57 177.50 3ibb s MET 445 N -5.49 1.71 0.55 4.17 0.23 -1.26 -3.25 119.30 115.96 3ibb s MET 445 Ca -0.13 -1.02 -0.22 0.00 -1.03 0.00 0.00 55.69 53.29 3ibb s MET 445 Cb 0.11 0.58 -0.05 0.00 -1.53 0.00 0.00 34.83 33.94 3ibb s MET 445 CO 0.77 -0.77 1.35 0.20 -2.03 0.00 0.00 175.02 174.55 3ibb s GLY 446 N -2.93 2.89 0.55 3.16 0.00 -1.26 -4.73 107.32 104.99 3ibb s GLY 446 Ca 0.13 1.33 0.25 0.00 0.00 0.00 0.00 44.72 46.43 3ibb s GLY 446 CO 0.06 1.84 2.04 0.00 0.00 0.00 0.00 173.10 177.04 3ibb h ALA 447 N 1.41 2.24 0.18 3.20 0.00 -1.97 -1.86 119.26 122.46 3ibb h ALA 447 Ca -0.51 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 3ibb h ALA 447 Cb 1.30 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3ibb h ALA 447 CO 0.57 -0.47 -0.09 0.37 0.00 0.00 0.00 179.25 179.63 3ibb h GLN 448 N 0.00 -0.24 -0.40 0.00 -0.00 -1.91 0.38 115.11 112.95 3ibb h GLN 448 Ca 0.17 0.02 -0.05 0.00 -0.00 0.00 0.00 58.65 58.78 3ibb h GLN 448 Cb 0.74 0.05 -0.02 0.00 0.00 0.00 0.00 27.48 28.26 3ibb h GLN 448 CO -0.00 -0.02 0.02 0.78 0.00 0.00 0.00 178.83 179.61 3ibb h GLY 449 N -0.42 0.67 0.90 2.39 0.00 -1.73 -2.96 103.07 101.92 3ibb h GLY 449 Ca -0.03 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 3ibb h GLY 449 CO 0.04 0.38 0.04 0.00 0.00 0.00 0.00 176.54 177.00 3ibb h ALA 450 N 1.43 0.10 -0.13 3.60 0.00 -0.15 1.73 119.26 125.83 3ibb h ALA 450 Ca 0.13 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3ibb h ALA 450 Cb 0.34 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3ibb h ALA 450 CO 0.01 -0.34 -0.19 -0.39 0.00 0.00 0.00 179.25 178.33 3ibb h VAL 451 N 0.01 1.21 -0.01 0.00 -1.51 -0.48 -3.23 116.25 112.24 3ibb h VAL 451 Ca 0.03 -0.95 0.02 0.00 -1.23 0.00 0.00 66.70 64.57 3ibb h VAL 451 Cb 0.11 1.32 -0.03 0.00 -2.13 0.00 0.00 31.29 30.57 3ibb h VAL 451 CO -0.00 0.29 -0.12 -1.13 -1.23 0.00 0.00 177.57 175.37 3ibb h ASN 452 N 0.21 -0.36 -0.19 4.19 -0.00 0.27 -2.63 115.58 117.08 3ibb h ASN 452 Ca 0.04 0.06 -0.09 0.00 -0.00 0.00 0.00 56.30 56.31 3ibb h ASN 452 Cb 0.47 0.15 -0.00 0.00 -0.00 0.00 0.00 38.32 38.94 3ibb h ASN 452 CO 0.03 -0.17 -0.22 0.40 -0.00 0.00 0.00 177.43 177.47 3ibb h ILE 453 N -0.20 1.34 -0.75 2.57 2.04 -1.23 -3.14 117.51 118.13 3ibb h ILE 453 Ca 0.05 -1.41 -0.03 0.00 1.00 0.00 0.00 64.86 64.47 3ibb h ILE 453 Cb 0.26 1.82 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 3ibb h ILE 453 CO -0.13 0.43 0.36 -0.07 0.00 0.00 0.00 178.15 178.74 3ibb h LEU 454 N 0.14 0.98 -3.03 1.44 3.38 -1.53 -3.32 115.31 113.38 3ibb h LEU 454 Ca 0.03 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3ibb h LEU 454 Cb 0.78 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3ibb h LEU 454 CO 0.05 0.84 0.00 1.41 0.09 0.00 0.00 178.44 180.83 3ibb n HIS 455 N -4.40 0.44 -0.15 1.13 8.25 -1.01 -4.81 115.22 114.68 3ibb n HIS 455 Ca 0.07 -0.67 -0.09 0.00 -0.26 0.00 0.00 57.72 56.77 3ibb n HIS 455 Cb 0.13 -0.13 -0.00 0.00 1.12 0.00 0.00 29.99 31.12 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 1.28 0.65 -0.61 -0.41 9.65 -1.65 0.24 114.38 123.54 3ibb h ARG 456 Ca 0.00 -0.12 -0.05 0.00 -1.10 0.00 0.00 59.98 58.71 3ibb h ARG 456 Cb 0.91 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 29.36 3ibb h ARG 456 CO 0.06 0.60 0.17 0.00 2.80 0.00 0.00 179.97 183.60 3ibb h ARG 457 N 0.56 0.94 -0.86 0.20 3.08 -1.88 -2.33 114.38 114.10 3ibb h ARG 457 Ca 0.15 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3ibb h ARG 457 Cb 0.19 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.06 3ibb h ARG 457 CO -0.01 0.83 0.44 1.15 -1.07 0.00 0.00 179.97 181.31 3ibb h THR 458 N 0.91 1.26 -0.72 2.04 2.02 -1.00 -2.04 112.91 115.38 3ibb h THR 458 Ca 0.20 -0.68 -0.07 0.00 0.77 0.00 0.00 66.41 66.63 3ibb h THR 458 Cb 0.29 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 3ibb h THR 458 CO -0.00 0.30 0.18 0.40 0.37 0.00 0.00 175.52 176.76 3ibb h ILE 459 N 1.21 1.26 -0.73 3.11 1.08 -0.66 -0.14 117.51 122.64 3ibb h ILE 459 Ca 0.30 -0.98 -0.01 0.00 -0.39 0.00 0.00 64.86 63.78 3ibb h ILE 459 Cb 0.07 0.52 -0.04 0.00 -3.07 0.00 0.00 36.82 34.31 3ibb h ILE 459 CO -0.04 0.38 0.42 0.00 -0.69 0.00 0.00 178.15 178.21 3ibb h ALA 460 N 1.09 1.37 -2.75 1.87 0.00 -1.37 -3.43 119.26 116.05 3ibb h ALA 460 Ca 0.22 -0.09 -0.53 0.00 0.00 0.00 0.00 54.91 54.51 3ibb h ALA 460 Cb 0.37 -0.29 0.07 0.00 0.00 0.00 0.00 17.79 17.94 3ibb h ALA 460 CO 0.00 0.53 0.88 -0.51 0.00 0.00 0.00 179.25 180.15 3ibb s ASP 461 N -6.39 6.45 -0.49 0.00 -0.00 -0.07 -3.92 116.67 112.26 3ibb s ASP 461 Ca -0.11 2.84 -0.08 0.00 -0.00 0.00 0.00 52.55 55.20 3ibb s ASP 461 Cb 0.17 -2.62 0.01 0.00 -0.00 0.00 0.00 42.92 40.48 3ibb s ASP 461 CO 0.79 -0.87 0.56 0.00 -0.00 0.00 0.00 175.17 175.65 3ibb n ALA 462 N 2.69 -2.75 0.25 5.23 0.00 -1.26 -4.84 120.51 119.82 3ibb n ALA 462 Ca 0.10 0.61 0.07 0.00 0.00 0.00 0.00 53.44 54.22 3ibb n ALA 462 Cb 0.38 -2.50 0.60 0.00 0.00 0.00 0.00 19.45 17.93 3ibb n ALA 462 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3ibb h GLY 463 N 1.19 0.00 -3.78 0.00 0.00 -1.87 -3.39 103.07 95.22 3ibb h GLY 463 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 3ibb h GLY 463 CO 0.21 0.00 0.70 0.99 0.00 0.00 0.00 176.54 178.44 3ibb s ASP 464 N -6.96 6.40 -1.38 0.19 -0.00 -1.26 -2.43 116.67 111.24 3ibb s ASP 464 Ca -0.04 2.87 -0.09 0.00 -0.00 0.00 0.00 52.55 55.29 3ibb s ASP 464 Cb 0.16 -2.66 0.02 0.00 -0.00 0.00 0.00 42.92 40.45 3ibb s ASP 464 CO 0.67 -0.81 1.10 0.47 -0.00 0.00 0.00 175.17 176.60 3ibb n ASP 465 N 0.42 -5.36 0.11 0.27 9.92 -1.26 -4.93 116.55 115.72 3ibb n ASP 465 Ca 0.02 -0.61 -0.13 0.00 -0.53 0.00 0.00 54.79 53.53 3ibb n ASP 465 Cb 0.41 -4.76 -0.08 0.00 -0.64 0.00 0.00 41.12 36.05 3ibb n ASP 465 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ibb h ALA 466 N 0.99 -0.23 -0.57 2.24 0.00 -1.67 -2.41 119.26 117.61 3ibb h ALA 466 Ca -0.58 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.17 3ibb h ALA 466 Cb 1.37 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 3ibb h ALA 466 CO 0.58 -0.56 0.13 0.93 0.00 0.00 0.00 179.25 180.33 3ibb h GLU 467 N -0.37 0.91 -0.29 0.00 3.07 -1.91 -1.67 114.58 114.31 3ibb h GLU 467 Ca -0.02 -0.22 -0.01 0.00 -0.50 0.00 0.00 59.36 58.60 3ibb h GLU 467 Cb 0.29 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 3ibb h GLU 467 CO 0.04 0.85 0.14 0.00 -1.40 0.00 0.00 179.01 178.64 3ibb h ALA 468 N 1.02 0.38 -0.49 3.43 0.00 -1.93 3.07 119.26 124.74 3ibb h ALA 468 Ca 0.18 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3ibb h ALA 468 Cb 0.35 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3ibb h ALA 468 CO 0.00 -0.06 0.17 1.15 0.00 0.00 0.00 179.25 180.51 3ibb h THR 469 N 0.34 1.22 -0.24 0.00 2.02 -1.50 -1.53 112.91 113.22 3ibb h THR 469 Ca 0.10 -0.73 -0.03 0.00 0.77 0.00 0.00 66.41 66.53 3ibb h THR 469 Cb 0.13 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 3ibb h THR 469 CO -0.01 0.27 0.05 -0.09 0.37 0.00 0.00 175.52 176.10 3ibb h ARG 470 N 0.65 0.40 -0.74 6.66 2.43 -0.10 -2.26 114.38 121.42 3ibb h ARG 470 Ca 0.16 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 3ibb h ARG 470 Cb 0.25 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 3ibb h ARG 470 CO -0.01 0.52 0.21 0.00 -1.51 0.00 0.00 179.97 179.18 3ibb h ALA 471 N 0.86 0.97 -0.37 2.80 0.00 0.54 -1.87 119.26 122.20 3ibb h ALA 471 Ca 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3ibb h ALA 471 Cb 0.31 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3ibb h ALA 471 CO 0.00 0.67 0.23 -0.09 0.00 0.00 0.00 179.25 180.07 3ibb h ARG 472 N 1.11 0.49 -0.60 0.00 2.43 -1.19 -1.11 114.38 115.51 3ibb h ARG 472 Ca 0.24 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.30 3ibb h ARG 472 Cb 0.34 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 3ibb h ARG 472 CO -0.00 0.35 0.10 -0.07 -1.51 0.00 0.00 179.97 178.84 3ibb h LEU 473 N 0.49 0.95 -1.57 3.80 3.38 -1.42 -2.11 115.31 118.83 3ibb h LEU 473 Ca 0.13 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3ibb h LEU 473 Cb -0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3ibb h LEU 473 CO -0.03 0.97 0.16 0.40 0.09 0.00 0.00 178.44 180.03 3ibb h ILE 474 N 0.90 1.11 -0.54 1.22 2.04 -0.60 -1.30 117.51 120.34 3ibb h ILE 474 Ca 0.18 -0.32 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 3ibb h ILE 474 Cb 0.42 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3ibb h ILE 474 CO 0.01 0.13 0.11 -0.61 0.00 0.00 0.00 178.15 177.79 3ibb h GLN 475 N 0.45 0.89 -0.91 2.37 -0.00 -0.95 -3.16 115.11 113.79 3ibb h GLN 475 Ca 0.12 -0.23 -0.02 0.00 -0.00 0.00 0.00 58.65 58.52 3ibb h GLN 475 Cb 0.05 -0.11 -0.04 0.00 0.00 0.00 0.00 27.48 27.37 3ibb h GLN 475 CO -0.02 0.85 0.51 0.93 0.00 0.00 0.00 178.83 181.10 3ibb h GLU 476 N 0.78 1.27 -0.05 1.69 5.08 -0.57 -1.67 114.58 121.11 3ibb h GLU 476 Ca 0.17 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3ibb h GLU 476 Cb 0.38 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 3ibb h GLU 476 CO 0.01 0.92 -0.00 -0.92 -1.00 0.00 0.00 179.01 178.01 3ibb h TYR 477 N 1.27 0.09 -0.36 4.33 5.03 -1.45 -2.70 116.97 123.18 3ibb h TYR 477 Ca 0.32 -0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.55 3ibb h TYR 477 Cb 0.01 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.25 3ibb h TYR 477 CO 0.01 0.38 -0.06 1.05 -1.32 0.00 0.00 178.16 178.22 3ibb h GLU 478 N -0.22 0.60 -0.77 1.82 4.11 -1.60 -1.15 114.58 117.37 3ibb h GLU 478 Ca 0.01 -0.16 0.01 0.00 0.07 0.00 0.00 59.36 59.29 3ibb h GLU 478 Cb 0.35 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 3ibb h GLU 478 CO 0.00 0.67 0.50 -0.44 0.07 0.00 0.00 179.01 179.81 3ibb h ASP 479 N 0.56 0.89 -0.01 3.06 3.32 -1.29 -2.45 116.42 120.51 3ibb h ASP 479 Ca 0.11 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3ibb h ASP 479 Cb 0.45 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3ibb h ASP 479 CO 0.02 0.66 -0.08 0.00 -1.72 0.00 0.00 179.24 178.12 3ibb n ALA 480 N -2.32 2.59 -0.02 3.45 0.00 -1.02 -4.76 120.51 118.43 3ibb n ALA 480 Ca 0.07 -0.47 -0.04 0.00 0.00 0.00 0.00 53.44 53.01 3ibb n ALA 480 Cb 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 19.45 19.20 3ibb n ALA 480 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ibb n LEU 481 N 0.04 1.71 -3.77 0.00 4.32 -0.44 -4.94 117.00 113.93 3ibb n LEU 481 Ca 0.04 0.01 -0.42 0.00 -0.02 0.00 0.00 56.01 55.62 3ibb n LEU 481 Cb 0.17 -0.14 0.00 0.00 -1.62 0.00 0.00 43.42 41.83 3ibb n LEU 481 CO 0.07 0.34 2.54 0.18 -1.22 0.00 0.00 177.39 179.31 3ibb n LEU 482 N -2.90 6.80 -3.58 2.23 4.32 -0.92 -4.71 117.00 118.23 3ibb n LEU 482 Ca -0.08 -4.23 -0.06 0.00 -0.02 0.00 0.00 56.01 51.62 3ibb n LEU 482 Cb 0.57 -1.63 -0.02 0.00 -1.62 0.00 0.00 43.42 40.73 3ibb n LEU 482 CO 0.02 1.14 0.74 0.54 -1.22 0.00 0.00 177.39 178.62 3ibb s ASN 483 N 2.79 -0.28 0.28 -1.43 6.03 -1.26 -4.65 114.94 116.41 3ibb s ASN 483 Ca 0.46 -0.10 -0.03 0.00 -1.03 0.00 0.00 52.86 52.16 3ibb s ASN 483 Cb 0.13 0.38 0.38 0.00 -3.03 0.00 0.00 41.25 39.10 3ibb s ASN 483 CO -0.07 -0.64 1.87 1.55 -2.03 0.00 0.00 177.10 177.78 3ibb h PRO 484 N 2.00 0.98 -0.37 3.55 0.13 -1.79 -3.29 132.00 133.21 3ibb h PRO 484 Ca -0.22 -0.14 -0.02 0.00 -0.87 0.00 0.00 66.00 64.75 3ibb h PRO 484 Cb 1.23 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 3ibb h PRO 484 CO 0.29 0.77 0.14 1.88 -0.23 0.00 0.00 178.00 180.85 3ibb h TYR 485 N 0.97 0.51 -0.18 1.56 0.05 -1.91 0.54 116.97 118.51 3ibb h TYR 485 Ca 0.23 -0.02 0.02 0.00 0.05 0.00 0.00 58.73 59.01 3ibb h TYR 485 Cb 0.14 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 3ibb h TYR 485 CO 0.01 0.42 0.06 1.79 -1.05 0.00 0.00 178.16 179.38 3ibb h THR 486 N 0.52 0.95 -0.36 -2.88 1.35 -1.86 0.50 112.91 111.13 3ibb h THR 486 Ca 0.13 -0.05 -0.09 0.00 -0.55 0.00 0.00 66.41 65.85 3ibb h THR 486 Cb 0.12 0.80 -0.02 0.00 -1.73 0.00 0.00 68.15 67.32 3ibb h THR 486 CO -0.01 0.03 -0.16 0.00 -0.25 0.00 0.00 175.52 175.12 3ibb h ALA 487 N 1.11 1.04 -0.68 6.62 0.00 -0.28 -3.09 119.26 123.98 3ibb h ALA 487 Ca 0.08 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3ibb h ALA 487 Cb 0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3ibb h ALA 487 CO -0.08 0.58 0.41 0.00 0.00 0.00 0.00 179.25 180.16 3ibb h ALA 488 N 1.23 1.44 -0.69 0.00 0.00 0.21 -1.61 119.26 119.84 3ibb h ALA 488 Ca 0.10 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3ibb h ALA 488 Cb 0.62 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3ibb h ALA 488 CO 0.04 0.49 0.45 0.93 0.00 0.00 0.00 179.25 181.16 3ibb h GLU 489 N 0.94 0.89 0.00 0.00 5.08 -0.06 0.24 114.58 121.66 3ibb h GLU 489 Ca 0.25 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.50 3ibb h GLU 489 Cb -0.04 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 3ibb h GLU 489 CO -0.05 0.59 -0.24 0.00 -1.00 0.00 0.00 179.01 178.31 3ibb h ARG 490 N 0.92 0.00 0.00 2.33 3.08 -1.36 -3.46 114.38 115.88 3ibb h ARG 490 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 3ibb h ARG 490 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.97 3ibb h ARG 490 CO -0.06 0.24 0.00 0.41 -1.07 0.00 0.00 179.97 179.49 3ibb n GLY 491 N -0.81 0.73 0.35 0.04 0.00 0.83 -4.97 105.19 101.37 3ibb n GLY 491 Ca -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 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 1.07 -3.58 1.61 0.99 -1.66 -3.40 116.97 111.99 3ibb h TYR 492 Ca 0.00 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 60.14 3ibb h TYR 492 Cb 0.00 -0.35 -0.33 0.00 1.00 0.00 0.00 36.73 37.05 3ibb h TYR 492 CO 0.00 0.71 -0.85 0.08 -0.00 0.00 0.00 178.16 178.10 3ibb s VAL 493 N -5.85 1.60 0.22 -2.88 1.01 -1.25 -4.48 120.40 108.77 3ibb s VAL 493 Ca -0.12 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 3ibb s VAL 493 Cb 0.17 -1.40 0.19 0.00 0.00 0.00 0.00 36.38 35.34 3ibb s VAL 493 CO 0.80 0.46 1.82 0.44 0.00 0.00 0.00 175.10 178.62 3ibb h ASP 494 N 6.60 1.12 -5.07 3.32 5.19 -1.02 -3.42 116.42 123.15 3ibb h ASP 494 Ca -0.28 -0.14 -0.06 0.00 -0.62 0.00 0.00 57.03 55.94 3ibb h ASP 494 Cb 1.20 -0.29 -0.14 0.00 0.18 0.00 0.00 39.33 40.28 3ibb h ASP 494 CO 0.47 0.94 -0.08 0.00 -3.12 0.00 0.00 179.24 177.46 3ibb s ALA 495 N -5.70 -0.96 -0.30 3.45 0.00 -1.23 -5.04 121.76 111.99 3ibb s ALA 495 Ca -0.13 0.04 -0.07 0.00 0.00 0.00 0.00 51.96 51.81 3ibb s ALA 495 Cb 0.16 0.61 0.01 0.00 0.00 0.00 0.00 23.12 23.90 3ibb s ALA 495 CO 0.84 -0.60 0.09 0.08 0.00 0.00 0.00 175.76 176.17 3ibb s VAL 496 N -3.48 3.99 -0.08 0.00 1.01 -1.24 -1.38 120.40 119.23 3ibb s VAL 496 Ca 0.01 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.27 3ibb s VAL 496 Cb 0.01 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.31 3ibb s VAL 496 CO -0.10 0.03 -0.15 0.27 0.00 0.00 0.00 175.10 175.16 3ibb s ILE 497 N 1.49 1.36 0.49 2.22 -4.36 0.19 -4.93 121.20 117.66 3ibb s ILE 497 Ca 0.02 -0.60 -0.23 0.00 -0.26 0.00 0.00 60.65 59.58 3ibb s ILE 497 Cb -0.18 -1.22 -0.07 0.00 1.25 0.00 0.00 42.46 42.25 3ibb s ILE 497 CO 0.03 0.41 1.34 -0.32 0.24 0.00 0.00 174.94 176.63 3ibb s MET 498 N 0.66 3.50 0.48 0.37 -2.45 -1.26 -4.38 119.30 116.22 3ibb s MET 498 Ca -0.14 2.20 0.12 0.00 -1.25 0.00 0.00 55.69 56.62 3ibb s MET 498 Cb -0.16 -2.46 1.10 0.00 1.25 0.00 0.00 34.83 34.56 3ibb s MET 498 CO 0.04 -0.89 2.11 -1.35 1.05 0.00 0.00 175.02 175.98 3ibb h PRO 499 N 1.96 0.21 -0.30 4.11 0.11 -1.95 1.60 132.00 137.73 3ibb h PRO 499 Ca -0.50 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3ibb h PRO 499 Cb 1.27 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3ibb h PRO 499 CO 0.59 0.14 0.16 0.66 -0.21 0.00 0.00 178.00 179.35 3ibb h SER 500 N 0.22 0.36 -0.09 -2.05 4.64 -1.87 0.28 113.55 115.04 3ibb h SER 500 Ca 0.06 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3ibb h SER 500 Cb -0.01 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3ibb h SER 500 CO -0.01 0.29 0.00 -0.67 -0.87 0.00 0.00 176.83 175.57 3ibb n ASP 501 N -4.46 1.05 -0.29 4.97 4.64 0.54 -4.30 116.55 118.71 3ibb n ASP 501 Ca 0.01 -1.56 -0.04 0.00 -1.38 0.00 0.00 54.79 51.82 3ibb n ASP 501 Cb 0.10 -0.06 0.07 0.00 -1.04 0.00 0.00 41.12 40.19 3ibb n ASP 501 CO 0.00 0.00 0.00 0.74 -0.82 0.00 0.00 177.20 177.12 3ibb h THR 502 N 1.44 1.22 -0.33 5.18 2.02 -0.34 -0.07 112.91 122.03 3ibb h THR 502 Ca 0.00 -0.44 -0.12 0.00 0.77 0.00 0.00 66.41 66.62 3ibb h THR 502 Cb 0.31 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 3ibb h THR 502 CO 0.00 0.22 -0.27 -0.09 0.37 0.00 0.00 175.52 175.75 3ibb h ARG 503 N 1.09 0.67 -0.80 6.66 2.43 -1.77 -2.52 114.38 120.14 3ibb h ARG 503 Ca 0.29 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3ibb h ARG 503 Cb -0.08 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 3ibb h ARG 503 CO -0.06 0.88 0.52 -0.09 -1.51 0.00 0.00 179.97 179.70 3ibb h ARG 504 N 0.58 1.07 -0.53 0.20 2.43 -1.78 -1.37 114.38 114.97 3ibb h ARG 504 Ca 0.07 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 3ibb h ARG 504 Cb 0.76 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 3ibb h ARG 504 CO 0.06 0.72 0.04 0.45 -1.51 0.00 0.00 179.97 179.73 3ibb h HIS 505 N 1.09 0.98 -0.45 2.20 3.86 -0.61 -2.83 115.15 119.39 3ibb h HIS 505 Ca 0.29 -0.15 -0.04 0.00 -1.16 0.00 0.00 60.37 59.31 3ibb h HIS 505 Cb -0.10 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.09 3ibb h HIS 505 CO -0.01 0.89 0.13 0.82 0.86 0.00 0.00 177.93 180.61 3ibb h ILE 506 N 0.78 1.23 -0.45 2.45 2.04 -1.24 -2.10 117.51 120.22 3ibb h ILE 506 Ca 0.16 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 3ibb h ILE 506 Cb 0.47 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 3ibb h ILE 506 CO 0.02 0.28 0.15 1.62 0.00 0.00 0.00 178.15 180.21 3ibb h VAL 507 N 0.60 1.22 -0.01 1.67 3.04 -1.32 -1.86 116.25 119.59 3ibb h VAL 507 Ca 0.14 -0.72 -0.00 0.00 -1.01 0.00 0.00 66.70 65.11 3ibb h VAL 507 Cb 0.29 0.85 -0.00 0.00 -2.01 0.00 0.00 31.29 30.41 3ibb h VAL 507 CO -0.00 0.26 0.00 0.03 -1.01 0.00 0.00 177.57 176.85 3ibb h ARG 508 N 0.59 0.01 -0.14 4.17 3.08 -1.57 -3.22 114.38 117.29 3ibb h ARG 508 Ca 0.15 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 3ibb h ARG 508 Cb 0.26 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3ibb h ARG 508 CO -0.01 0.21 -0.15 0.78 -1.07 0.00 0.00 179.97 179.73 3ibb h GLY 509 N -0.19 0.25 1.21 0.04 0.00 -1.33 -0.80 103.07 102.25 3ibb h GLY 509 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 3ibb h GLY 509 CO -0.00 0.15 0.42 1.41 0.00 0.00 0.00 176.54 178.51 3ibb h LEU 510 N 0.22 0.92 -0.04 3.11 3.38 -1.41 -1.19 115.31 120.29 3ibb h LEU 510 Ca 0.04 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3ibb h LEU 510 Cb 0.40 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3ibb h LEU 510 CO 0.02 0.73 0.02 0.03 0.09 0.00 0.00 178.44 179.34 3ibb h ARG 511 N 1.04 0.05 -0.39 1.13 3.08 -1.15 0.42 114.38 118.57 3ibb h ARG 511 Ca 0.27 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.22 3ibb h ARG 511 Cb 0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3ibb h ARG 511 CO -0.04 0.07 -0.11 1.96 -1.07 0.00 0.00 179.97 180.78 3ibb h GLN 512 N 0.02 0.76 -0.00 0.04 1.08 -1.42 -3.29 115.11 112.29 3ibb h GLN 512 Ca 0.01 -0.30 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 3ibb h GLN 512 Cb 0.03 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 3ibb h GLN 512 CO -0.00 0.90 -0.13 1.28 -0.95 0.00 0.00 178.83 179.93 3ibb n LEU 513 N -4.34 0.21 -0.04 1.46 4.77 -0.46 -4.38 117.00 114.22 3ibb n LEU 513 Ca -0.01 0.26 -0.10 0.00 -0.03 0.00 0.00 56.01 56.13 3ibb n LEU 513 Cb 0.36 -0.36 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 3ibb n LEU 513 CO 0.43 0.05 0.62 0.03 -1.33 0.00 0.00 177.39 177.18 3ibb h ARG 514 N 0.12 -0.37 -0.56 3.23 3.08 -0.24 -2.48 114.38 117.15 3ibb h ARG 514 Ca 0.00 0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 3ibb h ARG 514 Cb 0.45 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 3ibb h ARG 514 CO 0.00 -0.25 0.15 1.79 -1.07 0.00 0.00 179.97 180.59 3ibb h THR 515 N -0.39 1.23 -1.55 2.04 1.35 -1.85 -3.46 112.91 110.28 3ibb h THR 515 Ca 0.11 -0.80 -0.55 0.00 -0.55 0.00 0.00 66.41 64.62 3ibb h THR 515 Cb 0.57 0.64 0.14 0.00 -1.73 0.00 0.00 68.15 67.77 3ibb h THR 515 CO -0.43 0.30 -0.88 1.17 -0.25 0.00 0.00 175.52 175.44 3ibb n LYS 516 N -4.28 0.00 -4.38 4.72 0.00 -0.94 -4.99 118.16 108.29 3ibb n LYS 516 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 58.31 58.16 3ibb n LYS 516 Cb 0.22 -0.89 -0.14 0.00 0.00 0.00 0.00 35.03 34.22 3ibb n LYS 516 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3ibb s ARG 517 N -0.89 0.86 0.03 1.64 1.04 -1.26 -4.87 118.95 115.50 3ibb s ARG 517 Ca 0.52 -0.56 -0.01 0.00 -1.04 0.00 0.00 55.73 54.64 3ibb s ARG 517 Cb -0.55 -0.83 -0.02 0.00 -2.04 0.00 0.00 34.95 31.51 3ibb s ARG 517 CO 0.56 0.22 -0.01 -1.21 -0.04 0.00 0.00 175.30 174.82 3ibb s GLU 518 N -0.71 0.39 0.05 3.89 2.02 -1.26 -5.18 118.70 117.90 3ibb s GLU 518 Ca 0.02 -0.72 -0.00 0.00 0.02 0.00 0.00 54.97 54.29 3ibb s GLU 518 Cb -0.06 0.14 -0.04 0.00 0.10 0.00 0.00 34.13 34.27 3ibb s GLU 518 CO 0.00 -0.07 -0.04 0.45 0.02 0.00 0.00 175.26 175.62 3ibb s SER 519 N -1.76 0.57 0.19 -0.19 0.15 -1.26 -5.06 113.70 106.34 3ibb s SER 519 Ca -0.11 -0.88 -0.18 0.00 0.70 0.00 0.00 55.95 55.48 3ibb s SER 519 Cb -0.06 0.15 0.03 0.00 -1.71 0.00 0.00 66.02 64.43 3ibb s SER 519 CO -0.03 -0.50 0.53 -1.48 1.20 0.00 0.00 173.24 172.97 3ibb s LEU 520 N -2.57 0.02 0.37 3.45 0.05 -1.26 -5.16 118.68 113.58 3ibb s LEU 520 Ca 0.02 -0.43 -0.28 0.00 0.05 0.00 0.00 54.13 53.49 3ibb s LEU 520 Cb 0.03 2.19 -0.10 0.00 -2.05 0.00 0.00 46.19 46.26 3ibb s LEU 520 CO -0.07 -1.05 1.36 -2.84 -0.55 0.00 0.00 176.35 173.21 3ibb s PRO 521 N -3.86 4.15 0.46 1.48 0.02 -1.26 -4.90 135.00 131.08 3ibb s PRO 521 Ca 0.08 2.32 -0.23 0.00 0.02 0.00 0.00 61.00 63.19 3ibb s PRO 521 Cb -0.01 -2.94 -0.08 0.00 0.02 0.00 0.00 34.50 31.50 3ibb s PRO 521 CO -0.04 -0.40 1.12 -1.25 -0.33 0.00 0.00 177.00 176.10 3ibb s PRO 522 N -2.03 3.82 0.08 5.54 0.04 -1.26 -5.07 135.00 136.12 3ibb s PRO 522 Ca 0.53 1.65 -0.10 0.00 0.04 0.00 0.00 61.00 63.12 3ibb s PRO 522 Cb -0.42 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 31.76 3ibb s PRO 522 CO 0.55 -0.47 0.21 -1.59 0.04 0.00 0.00 177.00 175.74 3ibb s LYS 523 N -2.76 0.83 0.11 4.56 -2.85 -1.26 -5.06 119.74 113.30 3ibb s LYS 523 Ca 0.63 -0.85 -0.20 0.00 -1.00 0.00 0.00 55.97 54.56 3ibb s LYS 523 Cb -0.25 0.34 -0.07 0.00 -2.06 0.00 0.00 37.83 35.79 3ibb s LYS 523 CO 0.31 -0.27 1.70 0.87 0.10 0.00 0.00 175.35 178.06 3ibb h LYS 524 N 2.88 0.31 -2.73 1.78 1.57 -2.06 -3.46 116.57 114.85 3ibb h LYS 524 Ca -0.34 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.46 3ibb h LYS 524 Cb 1.20 -0.06 -0.11 0.00 0.08 0.00 0.00 32.23 33.34 3ibb h LYS 524 CO 0.53 0.30 0.32 -3.38 -0.57 0.00 0.00 179.45 176.65 3ibb s HIS 525 N -5.81 -0.39 0.77 -1.35 -3.43 -1.26 -5.19 115.29 98.64 3ibb s HIS 525 Ca -0.13 0.14 -0.11 0.00 -0.80 0.00 0.00 55.06 54.16 3ibb s HIS 525 Cb 0.08 0.59 0.06 0.00 -1.43 0.00 0.00 32.58 31.88 3ibb s HIS 525 CO 0.70 -0.83 1.13 0.20 -2.00 0.00 0.00 174.74 173.95 3ibb s GLY 526 N -2.73 1.61 -0.25 -1.38 0.00 -1.26 -5.02 107.32 98.29 3ibb s GLY 526 Ca 0.05 -0.65 0.12 0.00 0.00 0.00 0.00 44.72 44.24 3ibb s GLY 526 CO -0.07 -0.20 1.47 0.70 0.00 0.00 0.00 173.10 175.01 3ibb n ASN 527 N -3.18 3.17 -4.71 1.64 3.02 -1.26 -5.06 115.26 108.89 3ibb n ASN 527 Ca 0.08 -3.43 -0.43 0.00 -0.03 0.00 0.00 54.58 50.77 3ibb n ASN 527 Cb 0.60 -0.61 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 3ibb n ASN 527 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ibb n ILE 528 N -0.86 1.87 -2.39 2.41 0.00 -1.26 -4.85 119.36 114.28 3ibb n ILE 528 Ca 0.30 -0.47 -0.41 0.00 0.00 0.00 0.00 62.75 62.17 3ibb n ILE 528 Cb 1.01 -1.62 -0.04 0.00 0.00 0.00 0.00 39.64 39.00 3ibb n ILE 528 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3ibb s PRO 529 N -1.72 4.53 0.00 9.51 0.02 -1.26 -5.12 135.00 140.95 3ibb s PRO 529 Ca 0.57 1.88 0.15 0.00 0.02 0.00 0.00 61.00 63.61 3ibb s PRO 529 Cb -0.56 -3.21 0.12 0.00 0.02 0.00 0.00 34.50 30.86 3ibb s PRO 529 CO 0.61 -0.00 0.97 1.28 -0.33 0.00 0.00 177.00 179.53