#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kbc n TYR 7 N 0.00 0.00 -1.32 5.58 4.01 -1.26 -4.95 117.16 119.22 3kbc n TYR 7 Ca 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.52 3kbc n TYR 7 Cb 0.00 0.00 -0.19 0.00 -0.31 0.00 0.00 39.34 38.84 3kbc n TYR 7 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 3kbc n ILE 8 N 0.00 0.00 0.03 -0.72 3.06 -1.26 -4.70 119.36 115.77 3kbc n ILE 8 Ca 0.00 -0.39 0.00 0.00 -2.50 0.00 0.00 62.75 59.87 3kbc n ILE 8 Cb 0.00 -0.06 -0.01 0.00 0.54 0.00 0.00 39.64 40.12 3kbc n ILE 8 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 3kbc n GLU 9 N 5.18 4.80 -0.92 9.51 -0.58 -1.26 -5.10 120.64 132.28 3kbc n GLU 9 Ca 0.60 -0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.97 3kbc n GLU 9 Cb 0.11 -0.68 0.07 0.00 -0.57 0.00 0.00 31.44 30.37 3kbc n GLU 9 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3kbc n TYR 10 N -1.17 -2.03 -2.22 -0.32 4.02 -1.26 -4.77 117.16 109.41 3kbc n TYR 10 Ca 0.00 0.42 -0.32 0.00 -0.01 0.00 0.00 57.90 57.99 3kbc n TYR 10 Cb 0.02 -1.45 -0.04 0.00 -0.02 0.00 0.00 39.34 37.85 3kbc n TYR 10 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 3kbc s PRO 11 N -2.38 2.91 0.00 -0.72 0.04 -1.26 -4.87 135.00 128.71 3kbc s PRO 11 Ca 0.42 -0.77 0.00 0.00 0.04 0.00 0.00 61.00 60.69 3kbc s PRO 11 Cb -0.01 -5.20 0.00 0.00 0.04 0.00 0.00 34.50 29.33 3kbc s PRO 11 CO 0.69 -3.10 0.00 1.33 0.04 0.00 0.00 177.00 175.96 3kbc n VAL 12 N 7.51 0.00 -0.07 -0.36 0.24 -1.26 0.08 118.33 124.47 3kbc n VAL 12 Ca 0.40 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.58 3kbc n VAL 12 Cb 0.48 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.77 3kbc n VAL 12 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3kbc h LEU 13 N 0.00 -1.48 -0.19 1.34 6.46 -1.92 0.72 115.31 120.24 3kbc h LEU 13 Ca 0.00 0.19 -0.08 0.00 -0.12 0.00 0.00 57.88 57.86 3kbc h LEU 13 Cb 0.00 0.59 -0.00 0.00 -0.73 0.00 0.00 40.66 40.52 3kbc h LEU 13 CO 0.00 -0.36 -0.21 1.56 -0.62 0.00 0.00 178.44 178.81 3kbc h GLN 14 N -0.39 0.48 -0.36 1.25 7.50 -0.76 -2.19 115.11 120.63 3kbc h GLN 14 Ca 0.04 -0.26 0.11 0.00 0.50 0.00 0.00 58.65 59.04 3kbc h GLN 14 Cb 0.52 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.04 3kbc h GLN 14 CO -0.43 0.84 0.78 -0.22 -1.50 0.00 0.00 178.83 178.30 3kbc h LYS 15 N 0.14 0.00 0.01 1.46 3.64 -0.66 0.35 116.57 121.50 3kbc h LYS 15 Ca 0.03 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 59.02 3kbc h LYS 15 Cb 0.76 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.51 3kbc h LYS 15 CO 0.05 0.00 -2.44 -0.89 -2.27 0.00 0.00 179.45 173.90 3kbc n ILE 16 N -3.04 1.50 0.32 2.00 5.41 0.25 -4.18 119.36 121.62 3kbc n ILE 16 Ca 0.07 -0.59 0.20 0.00 1.00 0.00 0.00 62.75 63.43 3kbc n ILE 16 Cb 0.92 -1.39 1.08 0.00 -0.71 0.00 0.00 39.64 39.54 3kbc n ILE 16 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3kbc h LEU 17 N 0.00 0.00 -0.18 1.39 3.38 0.21 0.04 115.31 120.15 3kbc h LEU 17 Ca -0.57 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.21 3kbc h LEU 17 Cb 1.93 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.68 3kbc h LEU 17 CO -0.07 0.01 -0.64 0.40 0.09 0.00 0.00 178.44 178.22 3kbc h ILE 18 N 0.00 1.29 -0.51 1.22 1.08 -1.13 -1.31 117.51 118.14 3kbc h ILE 18 Ca -0.00 -1.86 -0.12 0.00 -0.39 0.00 0.00 64.86 62.50 3kbc h ILE 18 Cb 0.06 1.92 -0.02 0.00 -3.07 0.00 0.00 36.82 35.71 3kbc h ILE 18 CO 0.00 0.59 -0.13 1.23 -0.69 0.00 0.00 178.15 179.14 3kbc h GLY 19 N 0.48 1.07 0.83 5.37 0.00 -1.20 0.13 103.07 109.75 3kbc h GLY 19 Ca -0.03 -0.87 -0.04 0.00 0.00 0.00 0.00 47.33 46.39 3kbc h GLY 19 CO 0.14 0.80 -0.40 -2.00 0.00 0.00 0.00 176.54 175.08 3kbc h LEU 20 N 0.87 -0.95 -0.98 3.11 5.85 -1.23 0.80 115.31 122.79 3kbc h LEU 20 Ca 0.13 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 3kbc h LEU 20 Cb 0.69 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 3kbc h LEU 20 CO 0.05 -0.61 0.16 0.40 -0.34 0.00 0.00 178.44 178.10 3kbc h ILE 21 N -1.27 1.23 -0.10 4.05 1.08 -1.29 -1.70 117.51 119.51 3kbc h ILE 21 Ca -0.11 -0.83 -0.20 0.00 -0.39 0.00 0.00 64.86 63.32 3kbc h ILE 21 Cb 0.86 0.62 0.00 0.00 -3.07 0.00 0.00 36.82 35.23 3kbc h ILE 21 CO 0.19 0.31 -0.76 0.25 -0.69 0.00 0.00 178.15 177.45 3kbc h LEU 22 N 0.87 0.67 -0.55 1.44 5.85 -0.74 -3.15 115.31 119.70 3kbc h LEU 22 Ca 0.19 -0.44 -0.13 0.00 0.84 0.00 0.00 57.88 58.34 3kbc h LEU 22 Cb 0.29 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3kbc h LEU 22 CO -0.00 1.21 -0.20 1.23 -0.34 0.00 0.00 178.44 180.34 3kbc h GLY 23 N 0.99 1.04 0.85 3.75 0.00 0.84 -2.41 103.07 108.13 3kbc h GLY 23 Ca -0.04 -0.90 0.02 0.00 0.00 0.00 0.00 47.33 46.41 3kbc h GLY 23 CO 0.14 0.82 0.19 0.00 0.00 0.00 0.00 176.54 177.69 3kbc h ALA 24 N 0.93 0.46 -0.00 3.60 0.00 -1.34 0.15 119.26 123.05 3kbc h ALA 24 Ca 0.11 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kbc h ALA 24 Cb 0.76 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3kbc h ALA 24 CO 0.06 -0.17 0.00 0.82 0.00 0.00 0.00 179.25 179.97 3kbc h ILE 25 N 0.40 1.20 -0.01 0.00 5.03 -1.50 0.20 117.51 122.82 3kbc h ILE 25 Ca 0.15 -0.59 0.00 0.00 -0.12 0.00 0.00 64.86 64.31 3kbc h ILE 25 Cb 0.05 1.60 -0.00 0.00 -3.03 0.00 0.00 36.82 35.43 3kbc h ILE 25 CO -0.10 0.15 0.01 0.58 -0.68 0.00 0.00 178.15 178.12 3kbc h VAL 26 N -0.25 0.74 0.15 1.67 2.07 -1.27 -0.58 116.25 118.79 3kbc h VAL 26 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3kbc h VAL 26 Cb 0.25 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3kbc h VAL 26 CO 0.00 0.00 -0.07 1.23 0.02 0.00 0.00 177.57 178.75 3kbc h GLY 27 N 0.00 -0.21 1.00 2.17 0.00 -0.26 -3.21 103.07 102.57 3kbc h GLY 27 Ca 0.01 0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 3kbc h GLY 27 CO -0.00 -0.07 -0.33 1.41 0.00 0.00 0.00 176.54 177.54 3kbc h LEU 28 N -0.87 -0.79 -1.00 3.11 -0.00 -0.48 -1.39 115.31 113.90 3kbc h LEU 28 Ca -0.02 0.03 0.40 0.00 -0.00 0.00 0.00 57.88 58.29 3kbc h LEU 28 Cb 0.53 0.21 -0.18 0.00 -0.00 0.00 0.00 40.66 41.22 3kbc h LEU 28 CO 0.03 -0.56 0.53 0.16 -0.00 0.00 0.00 178.44 178.60 3kbc h ILE 29 N -0.92 0.04 0.00 1.22 3.07 -1.27 23.07 117.51 142.71 3kbc h ILE 29 Ca -0.09 -0.02 0.00 0.00 1.55 0.00 0.00 64.86 66.30 3kbc h ILE 29 Cb 0.71 -0.01 0.00 0.00 -0.27 0.00 0.00 36.82 37.25 3kbc h ILE 29 CO 0.15 0.01 0.00 0.18 -1.05 0.00 0.00 178.15 177.44 3kbc n LEU 30 N -5.24 0.00 0.25 0.16 4.32 -0.75 -2.99 117.00 112.75 3kbc n LEU 30 Ca 0.37 0.00 -0.16 0.00 -0.02 0.00 0.00 56.01 56.20 3kbc n LEU 30 Cb 1.23 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.95 3kbc n LEU 30 CO 0.02 0.00 0.71 1.23 -1.22 0.00 0.00 177.39 178.13 3kbc h GLY 31 N 5.10 -0.61 0.00 -0.72 0.00 5.55 -3.33 103.07 109.07 3kbc h GLY 31 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3kbc h GLY 31 CO 0.00 -0.22 0.00 1.42 0.00 0.00 0.00 176.54 177.74 3kbc n HIS 32 N -5.33 -1.14 -3.51 5.60 8.25 -1.16 -4.77 115.22 113.16 3kbc n HIS 32 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 3kbc n HIS 32 Cb 0.25 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.36 3kbc n HIS 32 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3kbc n TYR 33 N -0.41 0.00 -1.42 4.41 4.01 -1.26 -4.48 117.16 118.01 3kbc n TYR 33 Ca 0.00 0.00 -0.48 0.00 -0.16 0.00 0.00 57.90 57.26 3kbc n TYR 33 Cb 0.00 0.06 -0.11 0.00 -0.31 0.00 0.00 39.34 38.98 3kbc n TYR 33 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kbc n GLY 34 N 0.00 -0.14 3.47 2.72 0.00 -1.26 -4.79 105.19 105.19 3kbc n GLY 34 Ca 0.00 1.05 -0.45 0.00 0.00 0.00 0.00 46.02 46.63 3kbc n GLY 34 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kbc n TYR 35 N 10.10 -0.02 0.19 1.61 0.53 -1.26 -4.71 117.16 123.59 3kbc n TYR 35 Ca 0.55 0.75 0.12 0.00 -1.02 0.00 0.00 57.90 58.30 3kbc n TYR 35 Cb 0.10 -2.05 0.62 0.00 -1.03 0.00 0.00 39.34 36.98 3kbc n TYR 35 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3kbc h ALA 36 N 1.21 1.05 -0.95 -0.72 0.00 -1.80 -2.47 119.26 115.58 3kbc h ALA 36 Ca -0.36 0.00 0.26 0.00 0.00 0.00 0.00 54.91 54.81 3kbc h ALA 36 Cb 1.40 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 19.05 3kbc h ALA 36 CO 0.56 -0.05 0.46 1.25 0.00 0.00 0.00 179.25 181.48 3kbc h HIS 37 N 0.00 0.76 -0.42 0.00 -0.00 -1.93 3.50 115.15 117.07 3kbc h HIS 37 Ca 0.00 0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.41 3kbc h HIS 37 Cb 0.13 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.34 3kbc h HIS 37 CO 0.00 -0.10 0.24 0.00 -0.00 0.00 0.00 177.93 178.07 3kbc h ALA 38 N 1.78 1.64 -0.13 5.26 0.00 -1.78 -1.68 119.26 124.36 3kbc h ALA 38 Ca 0.64 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.39 3kbc h ALA 38 Cb 1.32 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3kbc h ALA 38 CO -0.57 0.31 -0.30 0.28 0.00 0.00 0.00 179.25 178.97 3kbc h VAL 39 N 0.57 1.37 0.00 0.00 2.07 0.60 -1.80 116.25 119.06 3kbc h VAL 39 Ca 0.15 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 66.09 3kbc h VAL 39 Cb -0.01 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 3kbc h VAL 39 CO -0.03 0.47 0.00 1.57 0.02 0.00 0.00 177.57 179.60 3kbc n HIS 40 N -4.40 0.00 -0.02 1.57 -0.00 0.20 -0.40 115.22 112.17 3kbc n HIS 40 Ca -0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.63 3kbc n HIS 40 Cb 0.48 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.44 3kbc n HIS 40 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 3kbc n THR 41 N -0.98 0.24 0.03 3.57 -1.04 -0.91 -4.67 114.28 110.52 3kbc n THR 41 Ca 0.05 -0.13 0.02 0.00 -2.04 0.00 0.00 64.05 61.95 3kbc n THR 41 Cb 0.02 -0.80 -0.02 0.00 -1.82 0.00 0.00 70.33 67.71 3kbc n THR 41 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3kbc n TYR 42 N -2.34 0.00 -0.11 -1.42 4.02 -0.71 -4.68 117.16 111.93 3kbc n TYR 42 Ca -0.07 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.63 3kbc n TYR 42 Cb 0.60 -0.06 -0.08 0.00 -0.02 0.00 0.00 39.34 39.79 3kbc n TYR 42 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3kbc n VAL 43 N -1.51 1.51 -0.29 -0.72 0.31 0.46 -4.54 118.33 113.55 3kbc n VAL 43 Ca -0.00 -0.08 0.15 0.00 -0.01 0.00 0.00 64.34 64.39 3kbc n VAL 43 Cb 0.07 -2.10 0.40 0.00 -0.91 0.00 0.00 33.84 31.30 3kbc n VAL 43 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3kbc h LYS 44 N -1.00 0.61 -1.02 5.55 3.64 -1.51 -2.41 116.57 120.44 3kbc h LYS 44 Ca -0.35 -0.04 0.25 0.00 -1.27 0.00 0.00 60.65 59.24 3kbc h LYS 44 Cb 1.22 -0.14 -0.12 0.00 -0.41 0.00 0.00 32.23 32.79 3kbc h LYS 44 CO -0.21 0.40 0.62 -1.00 -2.27 0.00 0.00 179.45 176.99 3kbc h PRO 45 N 0.63 0.51 -0.06 1.90 0.13 -1.83 0.19 132.00 133.47 3kbc h PRO 45 Ca 0.50 -0.03 -0.18 0.00 -0.87 0.00 0.00 66.00 65.42 3kbc h PRO 45 Cb 0.94 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 3kbc h PRO 45 CO -0.26 0.34 -0.75 0.74 -0.23 0.00 0.00 178.00 177.85 3kbc h PHE 46 N 0.53 0.45 0.00 1.56 0.04 -1.70 -1.96 116.94 115.87 3kbc h PHE 46 Ca 0.63 -0.21 -0.04 0.00 2.80 0.00 0.00 57.97 61.15 3kbc h PHE 46 Cb 1.31 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 39.39 3kbc h PHE 46 CO -0.01 0.96 -0.19 0.78 -0.60 0.00 0.00 178.31 179.25 3kbc h GLY 47 N 1.42 0.00 0.68 -1.45 0.00 -0.75 -2.58 103.07 100.40 3kbc h GLY 47 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.11 3kbc h GLY 47 CO 0.12 0.00 -0.85 -0.55 0.00 0.00 0.00 176.54 175.27 3kbc h ASP 48 N 0.00 0.46 -0.82 0.19 3.32 -0.85 -2.50 116.42 116.22 3kbc h ASP 48 Ca -0.00 -0.95 0.17 0.00 0.02 0.00 0.00 57.03 56.27 3kbc h ASP 48 Cb 0.45 -0.15 -0.10 0.00 0.22 0.00 0.00 39.33 39.74 3kbc h ASP 48 CO 0.03 1.41 0.36 0.25 -1.72 0.00 0.00 179.24 179.56 3kbc h LEU 49 N -0.37 0.35 0.28 1.55 5.85 -1.10 0.26 115.31 122.13 3kbc h LEU 49 Ca -0.15 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3kbc h LEU 49 Cb 1.65 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.77 3kbc h LEU 49 CO 0.15 0.10 -0.14 0.15 -0.34 0.00 0.00 178.44 178.36 3kbc h PHE 50 N 0.48 -0.35 -0.76 1.25 3.57 -1.52 -1.25 116.94 118.34 3kbc h PHE 50 Ca 0.47 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 62.09 3kbc h PHE 50 Cb 0.77 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.57 3kbc h PHE 50 CO -0.14 -0.13 0.50 0.28 -2.23 0.00 0.00 178.31 176.59 3kbc h VAL 51 N -0.51 0.86 0.05 1.41 2.07 -0.48 -2.30 116.25 117.36 3kbc h VAL 51 Ca -0.04 -0.19 -0.21 0.00 0.82 0.00 0.00 66.70 67.08 3kbc h VAL 51 Cb 0.38 0.26 0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3kbc h VAL 51 CO 0.06 0.10 -0.86 0.03 0.02 0.00 0.00 177.57 176.93 3kbc h ARG 52 N 0.55 0.49 -1.09 1.57 3.08 -0.39 -2.88 114.38 115.71 3kbc h ARG 52 Ca 0.37 -0.60 0.30 0.00 0.07 0.00 0.00 59.98 60.12 3kbc h ARG 52 Cb 0.66 0.19 -0.07 0.00 0.08 0.00 0.00 29.97 30.83 3kbc h ARG 52 CO -0.13 1.23 0.74 -0.07 -1.07 0.00 0.00 179.97 180.67 3kbc h LEU 53 N 0.01 0.23 0.01 3.04 3.38 -0.65 0.43 115.31 121.77 3kbc h LEU 53 Ca -0.12 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3kbc h LEU 53 Cb 1.57 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.34 3kbc h LEU 53 CO 0.17 0.04 -0.08 -0.07 0.09 0.00 0.00 178.44 178.59 3kbc h LEU 54 N 0.20 0.05 -2.76 1.67 4.07 -1.50 -3.27 115.31 113.77 3kbc h LEU 54 Ca 0.57 -0.94 0.00 0.00 0.08 0.00 0.00 57.88 57.60 3kbc h LEU 54 Cb 1.84 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 43.56 3kbc h LEU 54 CO -0.16 0.99 0.05 0.00 -1.08 0.00 0.00 178.44 178.23 3kbc h MET 56 N 0.00 -0.77 -0.85 0.00 -1.53 -1.01 -2.92 114.93 107.84 3kbc h MET 56 Ca 0.01 0.05 0.02 0.00 -3.44 0.00 0.00 59.70 56.33 3kbc h MET 56 Cb 0.10 0.17 -0.04 0.00 -0.55 0.00 0.00 31.60 31.28 3kbc h MET 56 CO -0.00 -0.51 0.56 -0.07 0.14 0.00 0.00 176.91 177.03 3kbc h LEU 57 N -0.80 0.96 -0.55 3.39 3.38 -1.39 -3.32 115.31 116.97 3kbc h LEU 57 Ca -0.04 -0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.10 3kbc h LEU 57 Cb 0.69 -0.23 -0.10 0.00 0.09 0.00 0.00 40.66 41.10 3kbc h LEU 57 CO -0.01 0.68 0.14 0.55 0.09 0.00 0.00 178.44 179.89 3kbc n VAL 58 N -4.42 -0.23 -0.02 1.22 3.14 -1.08 -1.93 118.33 115.01 3kbc n VAL 58 Ca 0.10 1.18 -0.06 0.00 -2.96 0.00 0.00 64.34 62.60 3kbc n VAL 58 Cb 0.05 -1.80 -0.05 0.00 -1.06 0.00 0.00 33.84 30.98 3kbc n VAL 58 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 3kbc h MET 59 N 0.00 -0.08 -0.95 1.45 2.86 -1.76 -2.27 114.93 114.17 3kbc h MET 59 Ca 0.39 0.01 0.15 0.00 -2.06 0.00 0.00 59.70 58.19 3kbc h MET 59 Cb 0.94 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.53 3kbc h MET 59 CO -0.48 0.25 0.60 -1.35 1.06 0.00 0.00 176.91 177.00 3kbc h PRO 60 N -0.99 0.77 -0.00 -0.22 0.11 -1.66 -2.20 132.00 127.80 3kbc h PRO 60 Ca -0.01 -0.05 -0.23 0.00 0.11 0.00 0.00 66.00 65.82 3kbc h PRO 60 Cb 0.37 -0.17 0.02 0.00 0.11 0.00 0.00 31.00 31.33 3kbc h PRO 60 CO 0.01 0.51 -0.90 -0.84 -0.21 0.00 0.00 178.00 176.57 3kbc h ILE 61 N 0.79 1.32 -0.02 4.15 3.07 -1.52 -0.25 117.51 125.06 3kbc h ILE 61 Ca 0.49 -2.19 0.00 0.00 1.55 0.00 0.00 64.86 64.72 3kbc h ILE 61 Cb 0.71 2.45 -0.00 0.00 -0.27 0.00 0.00 36.82 39.71 3kbc h ILE 61 CO -0.26 0.67 0.09 0.58 -1.05 0.00 0.00 178.15 178.18 3kbc h VAL 62 N 0.24 0.09 0.00 0.16 2.07 -0.88 0.69 116.25 118.62 3kbc h VAL 62 Ca -0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3kbc h VAL 62 Cb 1.58 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 3kbc h VAL 62 CO 0.18 0.00 0.00 0.33 0.02 0.00 0.00 177.57 178.10 3kbc n PHE 63 N -3.17 0.00 -0.34 1.57 7.35 -0.87 -3.79 117.46 118.21 3kbc n PHE 63 Ca -0.02 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.75 3kbc n PHE 63 Cb 0.16 -0.14 0.25 0.00 0.35 0.00 0.00 39.48 40.10 3kbc n PHE 63 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kbc h ALA 64 N -2.00 1.46 -0.52 3.13 0.00 -1.04 -0.24 119.26 120.05 3kbc h ALA 64 Ca 0.00 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3kbc h ALA 64 Cb 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3kbc h ALA 64 CO 0.00 0.08 0.34 1.03 0.00 0.00 0.00 179.25 180.71 3kbc h SER 65 N 0.84 0.46 0.54 0.00 0.87 0.25 -2.60 113.55 113.91 3kbc h SER 65 Ca 0.50 -0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.84 3kbc h SER 65 Cb 0.60 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.42 3kbc h SER 65 CO -0.31 0.31 -1.62 0.18 -0.53 0.00 0.00 176.83 174.86 3kbc n LEU 66 N -4.47 0.74 -0.12 2.23 4.77 -0.20 -2.25 117.00 117.68 3kbc n LEU 66 Ca 0.06 0.33 -0.05 0.00 -0.03 0.00 0.00 56.01 56.33 3kbc n LEU 66 Cb 0.19 0.14 0.15 0.00 -2.33 0.00 0.00 43.42 41.57 3kbc n LEU 66 CO 0.35 0.24 0.88 0.58 -1.33 0.00 0.00 177.39 178.11 3kbc h VAL 67 N 0.00 1.24 -0.00 4.08 2.07 -1.11 0.17 116.25 122.70 3kbc h VAL 67 Ca -0.23 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.27 3kbc h VAL 67 Cb 1.74 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 3kbc h VAL 67 CO 0.05 0.36 -0.06 0.58 0.02 0.00 0.00 177.57 178.52 3kbc h VAL 68 N 0.78 1.58 -0.71 2.57 2.07 -1.59 -2.64 116.25 118.31 3kbc h VAL 68 Ca 0.15 -1.78 0.11 0.00 0.82 0.00 0.00 66.70 66.00 3kbc h VAL 68 Cb 0.45 2.76 -0.08 0.00 -1.52 0.00 0.00 31.29 32.90 3kbc h VAL 68 CO 0.02 0.47 0.32 1.23 0.02 0.00 0.00 177.57 179.63 3kbc h GLY 69 N -0.67 1.06 0.95 2.17 0.00 -1.28 -1.71 103.07 103.59 3kbc h GLY 69 Ca -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 3kbc h GLY 69 CO 0.01 0.01 0.08 0.00 0.00 0.00 0.00 176.54 176.64 3kbc h ALA 70 N 1.46 0.19 0.00 3.60 0.00 -0.72 -1.94 119.26 121.85 3kbc h ALA 70 Ca 0.36 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 3kbc h ALA 70 Cb 0.44 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3kbc h ALA 70 CO -0.31 -0.29 -0.00 0.00 0.00 0.00 0.00 179.25 178.65 3kbc h ALA 71 N 0.99 1.14 -0.49 0.00 0.00 -0.99 -1.01 119.26 118.90 3kbc h ALA 71 Ca 0.05 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 3kbc h ALA 71 Cb 0.05 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.73 3kbc h ALA 71 CO -0.01 0.01 0.24 0.43 0.00 0.00 0.00 179.25 179.92 3kbc n SER 72 N -3.29 3.56 0.00 0.00 7.64 -0.71 -3.64 113.62 117.18 3kbc n SER 72 Ca -0.03 -2.79 0.00 0.00 1.01 0.00 0.00 58.87 57.06 3kbc n SER 72 Cb 0.09 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 3kbc n SER 72 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3kbc n ILE 73 N -0.15 0.00 -1.54 0.44 5.41 -0.48 -5.04 119.36 118.00 3kbc n ILE 73 Ca 0.28 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.60 3kbc n ILE 73 Cb 1.04 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.92 3kbc n ILE 73 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 3kbc n SER 74 N 0.00 2.49 -4.60 4.38 7.64 -0.64 -4.87 113.62 118.02 3kbc n SER 74 Ca 0.00 0.05 -0.42 0.00 1.01 0.00 0.00 58.87 59.52 3kbc n SER 74 Cb 0.37 -1.44 -0.06 0.00 -1.01 0.00 0.00 64.21 62.07 3kbc n SER 74 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3kbc s PRO 75 N 7.05 3.91 -0.03 1.43 0.04 -1.26 0.11 135.00 146.25 3kbc s PRO 75 Ca 1.05 0.43 -0.02 0.00 0.04 0.00 0.00 61.00 62.50 3kbc s PRO 75 Cb -0.49 -3.74 -0.04 0.00 0.04 0.00 0.00 34.50 30.27 3kbc s PRO 75 CO 0.37 -0.65 0.10 0.00 0.04 0.00 0.00 177.00 176.86 3kbc s ALA 76 N 2.81 3.65 0.00 8.56 0.00 -1.26 -5.10 121.76 130.42 3kbc s ALA 76 Ca 0.29 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.43 3kbc s ALA 76 Cb -0.14 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.31 3kbc s ALA 76 CO 0.13 0.68 0.00 2.89 0.00 0.00 0.00 175.76 179.45 3kbc n ARG 77 N 1.36 0.00 -4.27 0.00 1.85 0.30 -4.94 116.66 110.96 3kbc n ARG 77 Ca -0.14 0.00 -0.19 0.00 -1.00 0.00 0.00 57.85 56.52 3kbc n ARG 77 Cb 0.53 0.00 -0.15 0.00 -1.05 0.00 0.00 32.46 31.79 3kbc n ARG 77 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 177.63 177.14 3kbc s LEU 78 N 0.00 1.71 1.04 2.89 2.34 -1.26 -4.92 118.68 120.48 3kbc s LEU 78 Ca 0.00 -0.15 -0.21 0.00 0.06 0.00 0.00 54.13 53.84 3kbc s LEU 78 Cb 0.00 -0.45 -0.04 0.00 -0.56 0.00 0.00 46.19 45.14 3kbc s LEU 78 CO 0.00 0.03 -0.57 0.61 -1.06 0.00 0.00 176.35 175.36 3kbc n GLY 79 N 3.42 -2.90 0.35 -3.48 0.00 -1.26 -4.55 105.19 96.78 3kbc n GLY 79 Ca -0.19 -0.56 0.03 0.00 0.00 0.00 0.00 46.02 45.30 3kbc n GLY 79 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kbc n ARG 80 N 0.12 1.44 0.12 1.61 0.63 -1.26 -1.60 116.66 117.73 3kbc n ARG 80 Ca 0.00 -0.69 0.05 0.00 -0.92 0.00 0.00 57.85 56.29 3kbc n ARG 80 Cb 0.65 -1.16 0.02 0.00 0.45 0.00 0.00 32.46 32.42 3kbc n ARG 80 CO 0.00 0.00 0.00 -0.24 -2.51 0.00 0.00 177.63 174.88 3kbc h VAL 81 N 1.13 0.46 0.00 5.15 3.04 -2.01 -3.26 116.25 120.76 3kbc h VAL 81 Ca 0.00 -1.72 -0.26 0.00 -1.01 0.00 0.00 66.70 63.71 3kbc h VAL 81 Cb 0.26 2.09 -0.04 0.00 -2.01 0.00 0.00 31.29 31.59 3kbc h VAL 81 CO 0.00 0.26 -1.45 0.61 -1.01 0.00 0.00 177.57 175.98 3kbc n GLY 82 N 1.24 -0.78 0.27 3.17 0.00 -0.63 -3.69 105.19 104.76 3kbc n GLY 82 Ca -0.01 0.07 0.21 0.00 0.00 0.00 0.00 46.02 46.29 3kbc n GLY 82 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kbc n VAL 83 N -4.41 -0.35 0.41 1.61 0.31 -0.98 0.14 118.33 115.07 3kbc n VAL 83 Ca -0.35 1.73 -0.17 0.00 -0.01 0.00 0.00 64.34 65.54 3kbc n VAL 83 Cb 0.70 -2.70 -0.08 0.00 -0.91 0.00 0.00 33.84 30.86 3kbc n VAL 83 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3kbc h LYS 84 N 0.00 -1.03 -0.78 5.55 1.57 -1.71 -1.54 116.57 118.63 3kbc h LYS 84 Ca 0.63 0.07 0.11 0.00 -1.87 0.00 0.00 60.65 59.59 3kbc h LYS 84 Cb 1.56 0.23 -0.08 0.00 0.08 0.00 0.00 32.23 34.02 3kbc h LYS 84 CO -0.69 -0.68 0.40 0.97 -0.57 0.00 0.00 179.45 178.89 3kbc h ILE 85 N -1.26 0.81 0.35 1.86 6.09 0.11 -1.77 117.51 123.70 3kbc h ILE 85 Ca -0.11 -0.22 -0.01 0.00 -1.37 0.00 0.00 64.86 63.15 3kbc h ILE 85 Cb 0.83 0.11 -0.00 0.00 0.47 0.00 0.00 36.82 38.23 3kbc h ILE 85 CO 0.18 0.12 -0.19 0.58 -3.07 0.00 0.00 178.15 175.76 3kbc h VAL 86 N 0.64 0.60 -0.81 2.19 2.07 0.87 -0.06 116.25 121.75 3kbc h VAL 86 Ca 0.40 0.00 0.23 0.00 0.82 0.00 0.00 66.70 68.15 3kbc h VAL 86 Cb 0.47 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 3kbc h VAL 86 CO -0.30 0.00 0.58 0.58 0.02 0.00 0.00 177.57 178.45 3kbc h VAL 87 N -0.51 0.61 0.65 2.57 2.07 -0.85 -1.52 116.25 119.26 3kbc h VAL 87 Ca -0.04 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 3kbc h VAL 87 Cb 0.41 0.55 0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3kbc h VAL 87 CO 0.06 0.01 -0.31 0.22 0.02 0.00 0.00 177.57 177.56 3kbc h TYR 88 N 0.05 -0.81 -0.51 1.57 3.20 -0.19 -2.85 116.97 117.43 3kbc h TYR 88 Ca 0.39 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.34 3kbc h TYR 88 Cb 1.48 0.27 -0.10 0.00 1.54 0.00 0.00 36.73 39.91 3kbc h TYR 88 CO -0.00 -0.50 -0.23 1.88 -1.64 0.00 0.00 178.16 177.67 3kbc h TYR 89 N -1.03 -0.59 0.46 -3.82 0.05 -0.14 -1.00 116.97 110.90 3kbc h TYR 89 Ca -0.09 0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 3kbc h TYR 89 Cb 0.67 0.34 -0.03 0.00 1.01 0.00 0.00 36.73 38.72 3kbc h TYR 89 CO 0.04 -0.31 -0.49 -0.07 -1.05 0.00 0.00 178.16 176.27 3kbc h LEU 90 N -0.11 -1.36 -1.59 3.88 4.07 -1.55 0.22 115.31 118.86 3kbc h LEU 90 Ca 0.23 0.11 0.15 0.00 0.08 0.00 0.00 57.88 58.46 3kbc h LEU 90 Cb 0.48 0.45 -0.05 0.00 1.08 0.00 0.00 40.66 42.63 3kbc h LEU 90 CO -0.58 -0.64 0.50 -0.07 -1.08 0.00 0.00 178.44 176.56 3kbc h LEU 91 N -0.96 0.38 -0.13 1.67 3.38 -1.26 1.90 115.31 120.29 3kbc h LEU 91 Ca -0.05 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3kbc h LEU 91 Cb 0.85 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 3kbc h LEU 91 CO -0.08 0.19 -0.08 0.71 0.09 0.00 0.00 178.44 179.27 3kbc h THR 92 N 0.40 1.33 -0.17 0.22 1.35 -0.61 -1.88 112.91 113.56 3kbc h THR 92 Ca 0.37 -1.17 -0.19 0.00 -0.55 0.00 0.00 66.41 64.87 3kbc h THR 92 Cb 0.86 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 3kbc h THR 92 CO -0.11 0.34 -0.67 0.28 -0.25 0.00 0.00 175.52 175.11 3kbc h SER 93 N -0.08 0.76 -0.67 5.36 0.02 0.03 0.11 113.55 119.08 3kbc h SER 93 Ca 0.03 -0.46 0.01 0.00 -0.84 0.00 0.00 61.79 60.53 3kbc h SER 93 Cb 0.57 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 3kbc h SER 93 CO 0.02 1.23 0.45 0.00 -1.14 0.00 0.00 176.83 177.39 3kbc h ALA 94 N 0.77 1.54 0.08 3.77 0.00 0.30 -1.68 119.26 124.03 3kbc h ALA 94 Ca -0.02 -0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.57 3kbc h ALA 94 Cb 1.26 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3kbc h ALA 94 CO 0.13 0.42 -1.39 0.35 0.00 0.00 0.00 179.25 178.76 3kbc h PHE 95 N 0.89 0.29 -0.79 0.00 3.57 -1.24 -3.08 116.94 116.57 3kbc h PHE 95 Ca 0.25 -0.21 0.14 0.00 3.53 0.00 0.00 57.97 61.68 3kbc h PHE 95 Cb -0.07 -0.01 -0.09 0.00 2.79 0.00 0.00 35.95 38.57 3kbc h PHE 95 CO -0.00 1.23 0.37 0.00 -2.23 0.00 0.00 178.31 177.67 3kbc h ALA 96 N 0.69 1.15 -0.03 2.41 0.00 0.13 0.13 119.26 123.75 3kbc h ALA 96 Ca -0.18 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3kbc h ALA 96 Cb 1.95 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.77 3kbc h ALA 96 CO 0.15 -0.14 -0.11 -0.24 0.00 0.00 0.00 179.25 178.91 3kbc h VAL 97 N 0.54 1.49 -1.13 0.00 3.04 -1.53 -2.21 116.25 116.45 3kbc h VAL 97 Ca 0.43 -1.60 0.32 0.00 -1.01 0.00 0.00 66.70 64.84 3kbc h VAL 97 Cb 0.62 2.49 -0.07 0.00 -2.01 0.00 0.00 31.29 32.32 3kbc h VAL 97 CO -0.37 0.43 0.78 0.74 -1.01 0.00 0.00 177.57 178.14 3kbc h THR 98 N -0.48 0.44 0.05 3.17 2.02 -1.21 0.95 112.91 117.85 3kbc h THR 98 Ca -0.01 -0.05 -0.27 0.00 0.77 0.00 0.00 66.41 66.85 3kbc h THR 98 Cb 0.76 0.27 0.02 0.00 -1.74 0.00 0.00 68.15 67.47 3kbc h THR 98 CO 0.02 0.03 -1.09 0.25 0.37 0.00 0.00 175.52 175.10 3kbc h LEU 99 N 0.15 0.86 -0.99 2.58 6.46 -0.68 -3.20 115.31 120.50 3kbc h LEU 99 Ca 0.59 -0.78 0.07 0.00 -0.12 0.00 0.00 57.88 57.64 3kbc h LEU 99 Cb 1.99 -0.27 -0.07 0.00 -0.73 0.00 0.00 40.66 41.58 3kbc h LEU 99 CO -0.14 1.54 0.63 1.23 -0.62 0.00 0.00 178.44 181.09 3kbc h GLY 100 N 0.29 1.51 1.64 3.75 0.00 0.15 -0.54 103.07 109.87 3kbc h GLY 100 Ca -0.15 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.67 3kbc h GLY 100 CO 0.21 0.31 -0.01 -2.22 0.00 0.00 0.00 176.54 174.83 3kbc h ILE 101 N 1.14 1.18 0.00 2.60 5.03 -1.22 -0.07 117.51 126.17 3kbc h ILE 101 Ca 0.43 -0.73 -0.10 0.00 -0.12 0.00 0.00 64.86 64.35 3kbc h ILE 101 Cb 0.20 0.97 -0.01 0.00 -3.03 0.00 0.00 36.82 34.94 3kbc h ILE 101 CO -0.18 0.25 -0.47 0.40 -0.68 0.00 0.00 178.15 177.47 3kbc h ILE 102 N 0.44 1.21 0.06 -0.67 2.04 -1.11 -0.51 117.51 118.97 3kbc h ILE 102 Ca 0.10 -1.67 -0.26 0.00 1.00 0.00 0.00 64.86 64.02 3kbc h ILE 102 Cb 0.30 1.93 0.01 0.00 -0.74 0.00 0.00 36.82 38.33 3kbc h ILE 102 CO 0.01 0.46 -1.11 0.24 0.00 0.00 0.00 178.15 177.75 3kbc h MET 103 N 0.00 0.49 -0.40 2.37 2.86 -0.59 -2.33 114.93 117.33 3kbc h MET 103 Ca -0.00 -0.61 -0.02 0.00 -2.06 0.00 0.00 59.70 57.00 3kbc h MET 103 Cb 0.89 0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.73 3kbc h MET 103 CO 0.06 1.24 0.15 0.00 1.06 0.00 0.00 176.91 179.42 3kbc h ALA 104 N 0.53 1.52 0.31 6.32 0.00 -0.72 0.15 119.26 127.37 3kbc h ALA 104 Ca -0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3kbc h ALA 104 Cb 1.77 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3kbc h ALA 104 CO 0.20 0.37 -0.15 0.00 0.00 0.00 0.00 179.25 179.67 3kbc h ARG 105 N 0.56 -0.40 -0.37 0.00 2.47 -0.85 -3.28 114.38 112.51 3kbc h ARG 105 Ca 0.14 0.03 0.06 0.00 -1.26 0.00 0.00 59.98 58.94 3kbc h ARG 105 Cb 0.13 0.09 -0.05 0.00 -1.65 0.00 0.00 29.97 28.49 3kbc h ARG 105 CO -0.01 -0.27 0.06 1.37 0.56 0.00 0.00 179.97 181.68 3kbc h LEU 106 N -0.55 -0.02 -9.24 3.04 8.10 -1.39 -3.38 115.31 111.87 3kbc h LEU 106 Ca -0.04 0.07 -0.59 0.00 0.11 0.00 0.00 57.88 57.42 3kbc h LEU 106 Cb 0.32 0.10 -0.10 0.00 -0.44 0.00 0.00 40.66 40.54 3kbc h LEU 106 CO 0.07 0.02 -0.20 -0.36 -4.11 0.00 0.00 178.44 173.87 3kbc s PHE 107 N -6.17 3.44 -0.90 0.17 0.40 0.53 -5.00 117.98 110.45 3kbc s PHE 107 Ca -0.13 0.71 0.00 0.00 -0.60 0.00 0.00 56.93 56.91 3kbc s PHE 107 Cb 0.13 -2.50 0.31 0.00 0.51 0.00 0.00 43.02 41.47 3kbc s PHE 107 CO 0.71 0.10 1.43 0.09 0.70 0.00 0.00 175.22 178.25 3kbc n ASN 108 N 4.03 6.10 -4.67 1.36 5.03 -1.24 -4.09 115.26 121.77 3kbc n ASN 108 Ca -0.08 -3.60 -0.47 0.00 0.87 0.00 0.00 54.58 51.30 3kbc n ASN 108 Cb 0.51 -1.00 -0.04 0.00 -1.02 0.00 0.00 39.78 38.23 3kbc n ASN 108 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 3kbc n PRO 109 N 0.32 2.14 0.00 3.52 -0.02 -1.26 -1.82 135.00 137.87 3kbc n PRO 109 Ca 0.37 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.62 3kbc n PRO 109 Cb 0.32 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 3kbc n PRO 109 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kbc n GLY 110 N 3.82 2.70 3.02 -1.23 0.00 -1.26 -4.08 105.19 108.16 3kbc n GLY 110 Ca 0.19 -0.63 -0.54 0.00 0.00 0.00 0.00 46.02 45.04 3kbc n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbc n ALA 111 N 0.00 0.21 0.00 4.61 0.00 -0.76 0.57 120.51 125.14 3kbc n ALA 111 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3kbc n ALA 111 Cb 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.51 3kbc n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbc n GLY 112 N 6.87 2.61 0.06 0.00 0.00 -1.26 -4.86 105.19 108.61 3kbc n GLY 112 Ca 0.52 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.66 3kbc n GLY 112 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3kbc n ILE 113 N -0.73 0.32 0.00 -0.61 3.06 2.33 -4.98 119.36 118.75 3kbc n ILE 113 Ca 0.00 -0.20 0.00 0.00 -2.50 0.00 0.00 62.75 60.05 3kbc n ILE 113 Cb 0.00 -0.27 0.00 0.00 0.54 0.00 0.00 39.64 39.91 3kbc n ILE 113 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3kbc n HIS 114 N -1.98 0.00 -4.19 9.51 1.44 -1.13 -4.97 115.22 113.90 3kbc n HIS 114 Ca 0.05 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.61 3kbc n HIS 114 Cb 0.41 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.41 3kbc n HIS 114 CO 0.00 0.00 0.00 -0.48 -2.81 0.00 0.00 176.34 173.05 3kbc s LEU 115 N 0.00 2.42 -0.07 2.39 2.34 -0.79 -5.02 118.68 119.95 3kbc s LEU 115 Ca 0.00 -0.84 0.10 0.00 0.06 0.00 0.00 54.13 53.45 3kbc s LEU 115 Cb 0.00 -0.34 0.15 0.00 -0.56 0.00 0.00 46.19 45.44 3kbc s LEU 115 CO 0.00 -0.26 1.04 0.00 -1.06 0.00 0.00 176.35 176.08 3kbc n ALA 116 N 0.46 2.07 0.00 1.48 0.00 -1.26 -4.78 120.51 118.48 3kbc n ALA 116 Ca -0.15 -1.78 0.00 0.00 0.00 0.00 0.00 53.44 51.50 3kbc n ALA 116 Cb 0.58 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.67 3kbc n ALA 116 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3kbc n VAL 117 N -0.77 0.00 0.00 0.00 0.24 -1.26 0.63 118.33 117.17 3kbc n VAL 117 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 3kbc n VAL 117 Cb 0.62 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 3kbc n VAL 117 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kbc n GLY 118 N 0.00 -0.22 0.00 7.63 0.00 -1.26 -4.67 105.19 106.67 3kbc n GLY 118 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kbc n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kbc n GLY 119 N -1.19 1.06 3.71 -0.02 0.00 0.20 -5.09 105.19 103.87 3kbc n GLY 119 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3kbc n GLY 119 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kbc s GLN 120 N -0.28 2.65 0.41 1.61 -0.21 -0.72 -4.98 119.66 118.14 3kbc s GLN 120 Ca 0.00 -0.80 0.05 0.00 0.02 0.00 0.00 55.36 54.63 3kbc s GLN 120 Cb 0.00 -2.59 0.00 0.00 1.00 0.00 0.00 33.01 31.42 3kbc s GLN 120 CO 0.00 0.54 0.58 -1.14 -2.12 0.00 0.00 175.29 173.15 3kbc s GLN 121 N -2.37 2.93 0.09 2.91 0.74 -1.26 -4.30 119.66 118.40 3kbc s GLN 121 Ca 0.27 -0.97 -0.18 0.00 0.05 0.00 0.00 55.36 54.53 3kbc s GLN 121 Cb -0.12 -2.71 -0.07 0.00 1.10 0.00 0.00 33.01 31.21 3kbc s GLN 121 CO 0.20 -0.21 0.57 0.12 -0.55 0.00 0.00 175.29 175.42 3kbc s PHE 122 N -2.38 3.77 -0.21 1.67 5.36 -1.26 -5.07 117.98 119.86 3kbc s PHE 122 Ca 0.50 1.24 -0.08 0.00 -0.96 0.00 0.00 56.93 57.64 3kbc s PHE 122 Cb -0.10 -2.48 0.09 0.00 -0.34 0.00 0.00 43.02 40.19 3kbc s PHE 122 CO 0.34 0.55 0.45 -0.65 -1.46 0.00 0.00 175.22 174.45 3kbc s GLN 123 N -1.28 0.36 0.65 10.12 -0.21 -1.26 -4.90 119.66 123.14 3kbc s GLN 123 Ca 0.31 1.06 -0.15 0.00 0.02 0.00 0.00 55.36 56.60 3kbc s GLN 123 Cb -0.19 0.35 -0.01 0.00 1.00 0.00 0.00 33.01 34.17 3kbc s GLN 123 CO 0.19 -0.23 1.09 -1.25 -2.12 0.00 0.00 175.29 172.97 3kbc s PRO 124 N 2.51 2.93 0.19 2.91 0.04 -1.26 -5.03 135.00 137.29 3kbc s PRO 124 Ca -0.03 1.30 -0.29 0.00 0.04 0.00 0.00 61.00 62.02 3kbc s PRO 124 Cb -0.12 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 3kbc s PRO 124 CO -0.14 -1.13 0.90 -1.01 0.04 0.00 0.00 177.00 175.66 3kbc s HIS 125 N -2.45 3.93 0.29 0.56 3.76 -1.26 -4.98 115.29 115.13 3kbc s HIS 125 Ca 0.65 1.81 -0.30 0.00 -0.15 0.00 0.00 55.06 57.07 3kbc s HIS 125 Cb -0.19 -2.94 -0.12 0.00 1.11 0.00 0.00 32.58 30.44 3kbc s HIS 125 CO 0.42 0.42 1.47 0.00 -0.85 0.00 0.00 174.74 176.19 3kbc n GLN 126 N 1.81 2.35 -2.42 1.40 10.64 -1.26 -4.92 117.38 124.98 3kbc n GLN 126 Ca -0.02 0.83 -0.41 0.00 -1.83 0.00 0.00 57.00 55.58 3kbc n GLN 126 Cb 0.48 -2.53 -0.04 0.00 -0.86 0.00 0.00 30.24 27.29 3kbc n GLN 126 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3kbc s ALA 127 N -0.27 3.42 1.17 2.61 0.00 -1.26 -5.00 121.76 122.43 3kbc s ALA 127 Ca 0.64 0.93 -0.13 0.00 0.00 0.00 0.00 51.96 53.40 3kbc s ALA 127 Cb -0.57 -3.37 0.28 0.00 0.00 0.00 0.00 23.12 19.46 3kbc s ALA 127 CO 0.52 -0.27 0.96 -2.30 0.00 0.00 0.00 175.76 174.67 3kbc n PRO 128 N 1.75 -2.42 -1.60 0.00 -0.02 -1.26 -4.83 135.00 126.62 3kbc n PRO 128 Ca 0.01 -0.68 -0.45 0.00 -2.02 0.00 0.00 63.50 60.36 3kbc n PRO 128 Cb 0.45 -2.14 -0.02 0.00 -0.02 0.00 0.00 33.50 31.76 3kbc n PRO 128 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3kbc n PRO 129 N -4.80 1.40 -0.31 0.52 -0.02 -1.26 -4.53 135.00 126.00 3kbc n PRO 129 Ca 0.03 0.49 0.16 0.00 -2.02 0.00 0.00 63.50 62.16 3kbc n PRO 129 Cb 0.54 -1.92 0.31 0.00 -0.02 0.00 0.00 33.50 32.41 3kbc n PRO 129 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3kbc n LEU 130 N 1.42 -0.04 -0.04 2.45 7.94 -1.26 -0.25 117.00 127.23 3kbc n LEU 130 Ca 0.11 1.51 -0.13 0.00 -1.11 0.00 0.00 56.01 56.39 3kbc n LEU 130 Cb 0.31 -0.58 -0.08 0.00 0.53 0.00 0.00 43.42 43.60 3kbc n LEU 130 CO 0.60 -1.56 0.54 0.58 -1.11 0.00 0.00 177.39 176.44 3kbc h VAL 131 N 0.00 0.06 -0.30 1.96 2.07 -2.01 -1.72 116.25 116.31 3kbc h VAL 131 Ca 0.58 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 68.07 3kbc h VAL 131 Cb 1.26 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3kbc h VAL 131 CO -0.82 0.00 0.07 0.45 0.02 0.00 0.00 177.57 177.29 3kbc h HIS 132 N -0.50 0.42 -0.84 1.57 3.86 -0.93 -2.04 115.15 116.69 3kbc h HIS 132 Ca 0.07 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 3kbc h HIS 132 Cb 0.65 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.94 3kbc h HIS 132 CO -0.58 0.38 0.54 0.97 0.86 0.00 0.00 177.93 180.10 3kbc h ILE 133 N 0.42 1.22 0.02 2.45 6.09 -0.68 0.05 117.51 127.09 3kbc h ILE 133 Ca 0.10 -0.43 -0.00 0.00 -1.37 0.00 0.00 64.86 63.16 3kbc h ILE 133 Cb 0.17 0.00 0.00 0.00 0.47 0.00 0.00 36.82 37.46 3kbc h ILE 133 CO -0.00 0.22 -0.01 -0.07 -3.07 0.00 0.00 178.15 175.22 3kbc h LEU 134 N 1.15 -0.02 -1.92 2.19 3.38 -0.99 -3.25 115.31 115.84 3kbc h LEU 134 Ca 0.31 -0.69 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 3kbc h LEU 134 Cb -0.11 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3kbc h LEU 134 CO -0.06 0.70 -0.05 -0.07 0.09 0.00 0.00 178.44 179.04 3kbc h LEU 135 N -0.77 0.00 -2.00 1.67 3.38 -1.30 -2.15 115.31 114.14 3kbc h LEU 135 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3kbc h LEU 135 Cb 0.71 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 3kbc h LEU 135 CO 0.00 0.05 -0.05 0.44 0.09 0.00 0.00 178.44 178.98 3kbc h ASP 136 N 0.00 0.00 0.10 -0.43 3.32 -1.02 -2.24 116.42 116.15 3kbc h ASP 136 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3kbc h ASP 136 Cb 0.09 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 3kbc h ASP 136 CO 0.01 0.05 -0.07 0.16 -1.72 0.00 0.00 179.24 177.67 3kbc h ILE 137 N 0.00 0.86 -3.15 0.35 3.07 -1.45 -3.37 117.51 113.82 3kbc h ILE 137 Ca -0.00 -0.25 -0.62 0.00 1.55 0.00 0.00 64.86 65.55 3kbc h ILE 137 Cb 0.33 1.14 -0.13 0.00 -0.27 0.00 0.00 36.82 37.89 3kbc h ILE 137 CO 0.01 0.07 0.53 -0.69 -1.05 0.00 0.00 178.15 177.01 3kbc s VAL 138 N -4.72 4.41 0.48 0.16 1.01 -0.84 -3.44 120.40 117.46 3kbc s VAL 138 Ca -0.04 0.16 -0.23 0.00 0.00 0.00 0.00 61.98 61.87 3kbc s VAL 138 Cb 0.16 -4.54 -0.08 0.00 0.00 0.00 0.00 36.38 31.92 3kbc s VAL 138 CO 0.63 -1.13 1.21 -2.65 0.00 0.00 0.00 175.10 173.17 3kbc n PRO 139 N 7.40 1.63 0.07 2.72 -0.02 -1.26 -4.91 135.00 140.63 3kbc n PRO 139 Ca 0.01 0.59 0.11 0.00 -2.02 0.00 0.00 63.50 62.19 3kbc n PRO 139 Cb 0.47 -2.36 -0.05 0.00 -0.02 0.00 0.00 33.50 31.54 3kbc n PRO 139 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3kbc n THR 140 N -0.71 0.42 -2.89 3.45 5.66 -1.26 -4.67 114.28 114.28 3kbc n THR 140 Ca 0.09 -0.52 -0.07 0.00 -3.05 0.00 0.00 64.05 60.50 3kbc n THR 140 Cb 0.42 -0.22 -0.01 0.00 -1.55 0.00 0.00 70.33 68.98 3kbc n THR 140 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 3kbc s ASN 141 N -5.05 -1.04 0.07 1.09 3.84 -1.26 -5.04 114.94 107.54 3kbc s ASN 141 Ca -0.02 -1.83 -0.12 0.00 0.21 0.00 0.00 52.86 51.10 3kbc s ASN 141 Cb 0.11 1.59 -0.01 0.00 -0.55 0.00 0.00 41.25 42.39 3kbc s ASN 141 CO 0.82 -0.08 0.61 -2.65 -2.79 0.00 0.00 177.10 173.02 3kbc n PRO 142 N 3.07 -0.16 -0.18 0.43 -0.02 -1.26 0.17 135.00 137.05 3kbc n PRO 142 Ca 0.19 0.60 -0.02 0.00 -2.02 0.00 0.00 63.50 62.25 3kbc n PRO 142 Cb 0.55 -0.89 0.04 0.00 -0.02 0.00 0.00 33.50 33.18 3kbc n PRO 142 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3kbc h PHE 143 N 0.00 -0.31 0.55 6.00 -1.00 -1.98 0.28 116.94 120.49 3kbc h PHE 143 Ca 0.07 0.05 -0.03 0.00 2.81 0.00 0.00 57.97 60.88 3kbc h PHE 143 Cb 0.17 0.22 0.01 0.00 3.61 0.00 0.00 35.95 39.96 3kbc h PHE 143 CO -0.40 -0.24 -0.26 0.78 -1.61 0.00 0.00 178.31 176.57 3kbc h GLY 144 N -0.01 -0.77 -0.86 -1.45 0.00 0.12 1.06 103.07 101.16 3kbc h GLY 144 Ca 0.26 0.29 0.26 0.00 0.00 0.00 0.00 47.33 48.13 3kbc h GLY 144 CO -0.56 -0.28 0.04 0.00 0.00 0.00 0.00 176.54 175.74 3kbc h ALA 145 N -1.53 1.14 -0.01 3.60 0.00 -0.84 0.28 119.26 121.90 3kbc h ALA 145 Ca -0.08 0.32 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3kbc h ALA 145 Cb 0.57 0.56 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3kbc h ALA 145 CO 0.12 -0.55 -0.01 1.25 0.00 0.00 0.00 179.25 180.07 3kbc h LEU 146 N 0.03 0.02 -0.83 0.00 5.85 -0.33 -3.32 115.31 116.73 3kbc h LEU 146 Ca 0.58 -0.52 0.15 0.00 0.84 0.00 0.00 57.88 58.92 3kbc h LEU 146 Cb 1.17 -0.00 -0.15 0.00 0.37 0.00 0.00 40.66 42.05 3kbc h LEU 146 CO -0.88 0.54 -0.31 0.00 -0.34 0.00 0.00 178.44 177.45 3kbc h ALA 147 N 0.48 0.24 -3.12 1.25 0.00 0.48 -3.28 119.26 115.31 3kbc h ALA 147 Ca 0.00 0.27 -0.68 0.00 0.00 0.00 0.00 54.91 54.50 3kbc h ALA 147 Cb 0.53 0.83 -0.37 0.00 0.00 0.00 0.00 17.79 18.78 3kbc h ALA 147 CO 0.00 -0.56 -0.37 0.54 0.00 0.00 0.00 179.25 178.86 3kbc s ASN 148 N -5.27 5.22 0.17 0.00 4.22 -0.57 -5.07 114.94 113.64 3kbc s ASN 148 Ca -0.14 -3.23 0.00 0.00 -2.14 0.00 0.00 52.86 47.35 3kbc s ASN 148 Cb 0.20 -1.81 0.00 0.00 1.28 0.00 0.00 41.25 40.93 3kbc s ASN 148 CO 0.72 -0.26 0.00 0.61 -2.04 0.00 0.00 177.10 176.13 3kbc n GLY 149 N 2.94 1.48 2.52 0.45 0.00 -1.24 -4.89 105.19 106.45 3kbc n GLY 149 Ca 0.12 -0.32 -0.03 0.00 0.00 0.00 0.00 46.02 45.79 3kbc n GLY 149 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3kbc n GLN 150 N 13.23 -1.40 0.00 1.61 7.27 -1.26 -4.27 117.38 132.56 3kbc n GLN 150 Ca 0.00 1.48 0.00 0.00 0.07 0.00 0.00 57.00 58.55 3kbc n GLN 150 Cb 0.00 -4.51 0.00 0.00 2.41 0.00 0.00 30.24 28.14 3kbc n GLN 150 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3kbc n VAL 151 N -0.84 0.00 0.00 1.69 0.31 -1.26 -3.59 118.33 114.65 3kbc n VAL 151 Ca 0.05 0.57 0.00 0.00 -0.01 0.00 0.00 64.34 64.95 3kbc n VAL 151 Cb 0.40 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 3kbc n VAL 151 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3kbc n LEU 152 N -0.07 0.00 -0.32 7.52 4.32 -1.26 0.42 117.00 127.61 3kbc n LEU 152 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 56.01 56.05 3kbc n LEU 152 Cb 0.00 0.00 0.13 0.00 -1.62 0.00 0.00 43.42 41.93 3kbc n LEU 152 CO 0.00 0.00 0.60 -2.65 -1.22 0.00 0.00 177.39 174.12 3kbc n PRO 153 N -1.34 -0.08 0.24 3.23 -0.02 -1.22 -0.51 135.00 135.29 3kbc n PRO 153 Ca 0.00 1.39 -0.11 0.00 -2.02 0.00 0.00 63.50 62.76 3kbc n PRO 153 Cb 0.00 -2.09 -0.06 0.00 -0.02 0.00 0.00 33.50 31.34 3kbc n PRO 153 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3kbc h THR 154 N 0.00 0.00 -0.37 3.45 2.02 0.83 -1.83 112.91 117.01 3kbc h THR 154 Ca 0.44 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.65 3kbc h THR 154 Cb 0.68 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 3kbc h THR 154 CO -0.92 0.00 -0.22 -0.38 0.37 0.00 0.00 175.52 174.38 3kbc n ILE 155 N -4.11 -0.25 -0.37 3.11 -0.00 0.33 -0.14 119.36 117.93 3kbc n ILE 155 Ca -0.08 1.62 0.01 0.00 -0.00 0.00 0.00 62.75 64.30 3kbc n ILE 155 Cb 0.29 -2.08 0.07 0.00 -0.00 0.00 0.00 39.64 37.92 3kbc n ILE 155 CO 0.00 0.00 0.00 0.33 -0.00 0.00 0.00 176.55 176.88 3kbc n PHE 156 N -3.81 0.13 -0.24 1.39 7.35 -0.09 -0.34 117.46 121.85 3kbc n PHE 156 Ca 0.01 1.20 -0.06 0.00 -0.76 0.00 0.00 57.45 57.84 3kbc n PHE 156 Cb 0.10 -0.93 0.09 0.00 0.35 0.00 0.00 39.48 39.09 3kbc n PHE 156 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 3kbc h PHE 157 N 0.00 1.13 -0.18 -5.13 3.57 0.35 -2.53 116.94 114.15 3kbc h PHE 157 Ca 0.38 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.77 3kbc h PHE 157 Cb 0.62 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3kbc h PHE 157 CO -0.82 0.90 0.11 0.00 -2.23 0.00 0.00 178.31 176.26 3kbc h ALA 158 N 1.18 0.22 -0.40 2.41 0.00 0.13 0.19 119.26 122.99 3kbc h ALA 158 Ca 0.23 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.15 3kbc h ALA 158 Cb 0.30 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3kbc h ALA 158 CO -0.01 -0.31 0.24 0.82 0.00 0.00 0.00 179.25 179.99 3kbc h ILE 159 N 0.23 1.05 -0.14 0.00 5.03 -1.25 0.19 117.51 122.61 3kbc h ILE 159 Ca 0.07 -0.16 -0.05 0.00 -0.12 0.00 0.00 64.86 64.59 3kbc h ILE 159 Cb -0.02 0.53 -0.01 0.00 -3.03 0.00 0.00 36.82 34.29 3kbc h ILE 159 CO -0.02 0.09 -0.15 0.40 -0.68 0.00 0.00 178.15 177.78 3kbc h ILE 160 N 0.48 1.19 0.14 -0.67 5.03 -1.16 -0.15 117.51 122.35 3kbc h ILE 160 Ca 0.16 -0.84 -0.01 0.00 -0.12 0.00 0.00 64.86 64.05 3kbc h ILE 160 Cb 0.00 1.25 0.00 0.00 -3.03 0.00 0.00 36.82 35.05 3kbc h ILE 160 CO -0.07 0.26 -0.06 0.25 -0.68 0.00 0.00 178.15 177.85 3kbc h LEU 161 N 0.22 -0.15 0.32 1.44 5.85 0.20 -2.52 115.31 120.66 3kbc h LEU 161 Ca 0.04 -0.40 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 3kbc h LEU 161 Cb 0.41 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 3kbc h LEU 161 CO 0.03 0.41 -0.51 1.23 -0.34 0.00 0.00 178.44 179.25 3kbc h GLY 162 N -0.81 -1.22 1.04 3.75 0.00 -0.51 0.81 103.07 106.13 3kbc h GLY 162 Ca -0.02 0.62 0.14 0.00 0.00 0.00 0.00 47.33 48.07 3kbc h GLY 162 CO 0.03 -0.33 0.35 -2.22 0.00 0.00 0.00 176.54 174.37 3kbc h ILE 163 N -0.88 0.75 -0.13 2.60 2.04 -1.15 -0.19 117.51 120.54 3kbc h ILE 163 Ca -0.04 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.65 3kbc h ILE 163 Cb 0.81 0.76 0.01 0.00 -0.74 0.00 0.00 36.82 37.66 3kbc h ILE 163 CO -0.17 0.00 -0.58 0.00 0.00 0.00 0.00 178.15 177.40 3kbc h ALA 164 N 1.76 0.24 -0.76 1.87 0.00 -0.86 -3.22 119.26 118.30 3kbc h ALA 164 Ca 0.23 -0.53 0.10 0.00 0.00 0.00 0.00 54.91 54.70 3kbc h ALA 164 Cb 0.91 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 3kbc h ALA 164 CO -0.00 0.48 0.40 0.82 0.00 0.00 0.00 179.25 180.94 3kbc h ILE 165 N 0.27 0.84 -0.26 0.00 2.04 0.99 -2.30 117.51 119.10 3kbc h ILE 165 Ca -0.04 -0.22 0.06 0.00 1.00 0.00 0.00 64.86 65.66 3kbc h ILE 165 Cb 1.22 0.14 -0.07 0.00 -0.74 0.00 0.00 36.82 37.36 3kbc h ILE 165 CO 0.12 0.12 -0.23 0.71 0.00 0.00 0.00 178.15 178.87 3kbc h THR 166 N 0.65 0.41 0.00 -0.27 1.35 -1.48 -0.23 112.91 113.34 3kbc h THR 166 Ca 0.38 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.24 3kbc h THR 166 Cb 0.41 0.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.24 3kbc h THR 166 CO -0.28 0.00 0.02 -1.22 -0.25 0.00 0.00 175.52 173.79 3kbc n TYR 167 N -5.37 0.68 0.08 4.73 4.02 -0.87 0.02 117.16 120.44 3kbc n TYR 167 Ca -0.00 0.35 0.00 0.00 -0.01 0.00 0.00 57.90 58.24 3kbc n TYR 167 Cb 0.29 -1.05 -0.04 0.00 -0.02 0.00 0.00 39.34 38.51 3kbc n TYR 167 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3kbc h LEU 168 N 0.00 0.00 -0.54 7.72 3.38 -0.96 -3.19 115.31 121.71 3kbc h LEU 168 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kbc h LEU 168 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3kbc h LEU 168 CO 0.00 0.60 0.00 0.23 0.09 0.00 0.00 178.44 179.36 3kbc n MET 169 N -3.10 0.22 -0.01 1.13 2.81 0.10 -1.92 117.12 116.36 3kbc n MET 169 Ca -0.03 0.38 0.12 0.00 -1.81 0.00 0.00 57.70 56.35 3kbc n MET 169 Cb 0.81 -1.87 0.12 0.00 -0.71 0.00 0.00 33.22 31.57 3kbc n MET 169 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3kbc n ASN 170 N -2.28 2.99 -4.71 7.83 4.13 -1.19 -4.89 115.26 117.14 3kbc n ASN 170 Ca 0.03 -1.99 -0.42 0.00 1.68 0.00 0.00 54.58 53.88 3kbc n ASN 170 Cb 0.28 -0.02 -0.03 0.00 -1.54 0.00 0.00 39.78 38.48 3kbc n ASN 170 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3kbc s SER 171 N -1.97 6.47 0.19 6.41 0.15 -0.81 -4.89 113.70 119.25 3kbc s SER 171 Ca 0.29 2.73 -0.16 0.00 0.70 0.00 0.00 55.95 59.51 3kbc s SER 171 Cb 0.20 -2.59 0.16 0.00 -1.71 0.00 0.00 66.02 62.09 3kbc s SER 171 CO 0.30 -0.93 1.64 -0.33 1.20 0.00 0.00 173.24 175.12 3kbc h GLU 172 N 7.41 -0.03 -6.70 5.44 4.39 -1.93 -3.41 114.58 119.74 3kbc h GLU 172 Ca -0.44 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 58.69 3kbc h GLU 172 Cb 1.21 0.01 0.11 0.00 -0.10 0.00 0.00 28.75 29.97 3kbc h GLU 172 CO 0.94 -0.02 0.49 -1.71 -1.16 0.00 0.00 179.01 177.55 3kbc n ASN 173 N -5.39 2.65 0.06 1.42 5.15 -1.26 -4.92 115.26 112.97 3kbc n ASN 173 Ca 0.05 1.20 -0.16 0.00 -0.60 0.00 0.00 54.58 55.07 3kbc n ASN 173 Cb 0.29 -1.46 -0.14 0.00 -0.53 0.00 0.00 39.78 37.94 3kbc n ASN 173 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 3kbc h GLU 174 N 2.73 0.23 -0.17 1.20 4.57 -1.98 -2.56 114.58 118.60 3kbc h GLU 174 Ca -0.45 -0.40 0.00 0.00 -1.18 0.00 0.00 59.36 57.33 3kbc h GLU 174 Cb 1.29 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 30.02 3kbc h GLU 174 CO 0.64 1.10 0.11 -0.22 -1.18 0.00 0.00 179.01 179.46 3kbc h LYS 175 N 0.06 0.22 0.68 1.92 3.64 -1.95 0.66 116.57 121.81 3kbc h LYS 175 Ca -0.22 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.11 3kbc h LYS 175 Cb 2.00 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 33.78 3kbc h LYS 175 CO 0.16 0.15 -0.33 0.28 -2.27 0.00 0.00 179.45 177.44 3kbc h VAL 176 N 0.23 0.33 -0.94 2.00 2.07 -1.92 0.40 116.25 118.42 3kbc h VAL 176 Ca 0.06 -0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.79 3kbc h VAL 176 Cb -0.03 0.33 -0.07 0.00 -1.52 0.00 0.00 31.29 30.00 3kbc h VAL 176 CO -0.01 0.00 0.62 0.03 0.02 0.00 0.00 177.57 178.22 3kbc h ARG 177 N -0.92 0.40 0.05 1.57 -0.00 -1.16 -1.57 114.38 112.75 3kbc h ARG 177 Ca -0.09 -0.02 -0.17 0.00 -0.50 0.00 0.00 59.98 59.19 3kbc h ARG 177 Cb 0.70 -0.09 0.02 0.00 0.00 0.00 0.00 29.97 30.60 3kbc h ARG 177 CO 0.15 0.27 -0.71 -0.22 0.00 0.00 0.00 179.97 179.46 3kbc h LYS 178 N 0.42 0.39 0.13 0.04 3.11 0.99 -3.15 116.57 118.50 3kbc h LYS 178 Ca 0.50 -0.49 0.02 0.00 -2.81 0.00 0.00 60.65 57.86 3kbc h LYS 178 Cb 1.23 0.16 -0.03 0.00 -1.00 0.00 0.00 32.23 32.58 3kbc h LYS 178 CO -0.20 1.17 -0.26 0.77 -2.81 0.00 0.00 179.45 178.12 3kbc h SER 179 N -0.16 -0.74 -0.83 4.20 0.02 0.72 -1.32 113.55 115.44 3kbc h SER 179 Ca -0.10 0.08 0.19 0.00 -0.84 0.00 0.00 61.79 61.12 3kbc h SER 179 Cb 1.46 0.28 -0.11 0.00 0.14 0.00 0.00 62.40 64.16 3kbc h SER 179 CO 0.14 -0.35 0.32 0.00 -1.14 0.00 0.00 176.83 175.80 3kbc h ALA 180 N 0.25 1.24 -0.40 3.77 0.00 -1.50 -0.51 119.26 122.11 3kbc h ALA 180 Ca 0.03 0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.15 3kbc h ALA 180 Cb 0.50 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 3kbc h ALA 180 CO -0.14 -0.30 0.09 1.05 0.00 0.00 0.00 179.25 179.95 3kbc h GLU 181 N 0.39 0.22 0.56 0.00 4.11 -1.21 0.25 114.58 118.90 3kbc h GLU 181 Ca 0.49 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.88 3kbc h GLU 181 Cb 0.87 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.08 3kbc h GLU 181 CO -0.50 0.15 -0.27 1.79 0.07 0.00 0.00 179.01 180.25 3kbc h THR 182 N 0.23 0.00 -0.72 -1.06 1.35 -0.55 -0.45 112.91 111.70 3kbc h THR 182 Ca 0.19 -0.27 0.12 0.00 -0.55 0.00 0.00 66.41 65.90 3kbc h THR 182 Cb 0.22 0.00 -0.13 0.00 -1.73 0.00 0.00 68.15 66.51 3kbc h THR 182 CO -0.24 0.00 -0.35 0.25 -0.25 0.00 0.00 175.52 174.93 3kbc h LEU 183 N -1.03 -1.25 -1.80 3.87 6.46 -1.24 1.48 115.31 121.80 3kbc h LEU 183 Ca -0.08 0.25 0.05 0.00 -0.12 0.00 0.00 57.88 57.99 3kbc h LEU 183 Cb 0.58 0.63 -0.02 0.00 -0.73 0.00 0.00 40.66 41.12 3kbc h LEU 183 CO 0.13 -0.30 0.24 0.25 -0.62 0.00 0.00 178.44 178.13 3kbc h LEU 184 N -0.11 0.22 -0.19 2.25 5.85 -0.97 -0.73 115.31 121.63 3kbc h LEU 184 Ca 0.27 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.93 3kbc h LEU 184 Cb 0.57 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 3kbc h LEU 184 CO -0.78 0.15 -0.10 -0.78 -0.34 0.00 0.00 178.44 176.58 3kbc h ASP 185 N 0.25 0.41 0.43 1.25 -0.00 0.35 -2.33 116.42 116.79 3kbc h ASP 185 Ca 0.15 -0.42 -0.02 0.00 -0.00 0.00 0.00 57.03 56.74 3kbc h ASP 185 Cb 0.29 -0.11 0.00 0.00 -0.00 0.00 0.00 39.33 39.51 3kbc h ASP 185 CO -0.03 0.75 -0.21 0.00 -0.00 0.00 0.00 179.24 179.75 3kbc h ALA 186 N 0.68 -0.58 -0.32 -0.78 0.00 0.13 -2.97 119.26 115.42 3kbc h ALA 186 Ca 0.04 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.84 3kbc h ALA 186 Cb 0.60 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 3kbc h ALA 186 CO 0.03 -0.79 -0.40 0.82 0.00 0.00 0.00 179.25 178.91 3kbc h ILE 187 N -0.65 0.00 -3.81 0.00 2.04 -1.24 -2.78 117.51 111.08 3kbc h ILE 187 Ca -0.06 0.00 -0.53 0.00 1.00 0.00 0.00 64.86 65.27 3kbc h ILE 187 Cb 0.48 0.00 0.09 0.00 -0.74 0.00 0.00 36.82 36.65 3kbc h ILE 187 CO 0.10 0.00 0.77 0.21 0.00 0.00 0.00 178.15 179.23 3kbc s ASN 188 N -4.39 6.44 0.00 1.72 2.47 -0.88 0.83 114.94 121.14 3kbc s ASN 188 Ca -0.10 2.95 0.00 0.00 0.42 0.00 0.00 52.86 56.13 3kbc s ASN 188 Cb 0.06 -2.66 0.00 0.00 -1.45 0.00 0.00 41.25 37.20 3kbc s ASN 188 CO 0.43 -0.81 0.00 0.61 -3.72 0.00 0.00 177.10 173.62 3kbc n GLY 189 N 0.87 3.28 0.17 1.21 0.00 -1.24 -4.68 105.19 104.80 3kbc n GLY 189 Ca 0.02 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 3kbc n GLY 189 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kbc h LEU 190 N 0.00 0.46 -0.07 0.99 5.85 0.73 1.80 115.31 125.09 3kbc h LEU 190 Ca 0.00 -0.21 -0.12 0.00 0.84 0.00 0.00 57.88 58.39 3kbc h LEU 190 Cb 0.00 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 40.91 3kbc h LEU 190 CO 0.00 0.55 -0.42 0.00 -0.34 0.00 0.00 178.44 178.23 3kbc h ALA 191 N 0.93 0.14 -0.13 1.25 0.00 -1.77 -1.34 119.26 118.34 3kbc h ALA 191 Ca 0.10 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 3kbc h ALA 191 Cb 0.25 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3kbc h ALA 191 CO -0.00 0.27 -0.01 1.49 0.00 0.00 0.00 179.25 181.00 3kbc h GLU 192 N -0.08 0.18 -0.01 0.00 4.57 -1.77 -1.78 114.58 115.69 3kbc h GLU 192 Ca -0.03 -0.02 -0.20 0.00 -1.18 0.00 0.00 59.36 57.92 3kbc h GLU 192 Cb 1.08 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.63 3kbc h GLU 192 CO 0.09 0.21 -0.86 0.00 -1.18 0.00 0.00 179.01 177.26 3kbc h ALA 193 N 1.82 0.51 0.00 2.92 0.00 0.29 -3.05 119.26 121.75 3kbc h ALA 193 Ca 0.04 -0.70 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 3kbc h ALA 193 Cb 0.14 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3kbc h ALA 193 CO 0.00 0.87 -0.04 0.52 0.00 0.00 0.00 179.25 180.60 3kbc h MET 194 N 0.15 0.00 0.00 0.00 2.86 -0.34 -1.76 114.93 115.85 3kbc h MET 194 Ca -0.05 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.32 3kbc h MET 194 Cb 1.48 0.00 0.02 0.00 0.06 0.00 0.00 31.60 33.16 3kbc h MET 194 CO 0.14 0.04 -1.05 1.88 1.06 0.00 0.00 176.91 178.98 3kbc h TYR 195 N 0.00 1.03 -0.98 -0.22 0.05 -1.40 -2.31 116.97 113.14 3kbc h TYR 195 Ca -0.00 -0.56 0.16 0.00 0.05 0.00 0.00 58.73 58.38 3kbc h TYR 195 Cb 0.19 -0.12 -0.09 0.00 1.01 0.00 0.00 36.73 37.73 3kbc h TYR 195 CO 0.00 1.40 0.61 0.87 -1.05 0.00 0.00 178.16 179.99 3kbc h LYS 196 N 0.38 0.77 -0.56 4.88 1.79 -1.39 0.45 116.57 122.90 3kbc h LYS 196 Ca -0.13 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.22 3kbc h LYS 196 Cb 1.70 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 32.16 3kbc h LYS 196 CO 0.20 0.51 0.07 0.82 -1.08 0.00 0.00 179.45 179.98 3kbc h ILE 197 N 0.80 1.26 0.25 1.86 2.04 -1.37 0.56 117.51 122.90 3kbc h ILE 197 Ca 0.52 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 3kbc h ILE 197 Cb 0.76 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 3kbc h ILE 197 CO -0.29 0.36 -0.12 0.58 0.00 0.00 0.00 178.15 178.68 3kbc h VAL 198 N 0.82 0.78 -0.83 1.67 2.07 0.28 0.66 116.25 121.70 3kbc h VAL 198 Ca 0.17 -0.14 0.13 0.00 0.82 0.00 0.00 66.70 67.68 3kbc h VAL 198 Cb 0.44 0.86 -0.09 0.00 -1.52 0.00 0.00 31.29 30.98 3kbc h VAL 198 CO 0.01 0.03 0.43 0.78 0.02 0.00 0.00 177.57 178.85 3kbc h ASN 199 N -0.40 0.55 0.34 0.57 4.21 -0.40 0.50 115.58 120.95 3kbc h ASN 199 Ca -0.03 0.08 -0.02 0.00 1.21 0.00 0.00 56.30 57.54 3kbc h ASN 199 Cb 0.31 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.49 3kbc h ASN 199 CO 0.06 0.27 -0.16 1.23 -1.29 0.00 0.00 177.43 177.53 3kbc h GLY 200 N 0.66 -0.47 0.31 2.83 0.00 -0.15 -2.70 103.07 103.55 3kbc h GLY 200 Ca 0.43 0.17 0.12 0.00 0.00 0.00 0.00 47.33 48.06 3kbc h GLY 200 CO -0.32 -0.17 0.36 -2.08 0.00 0.00 0.00 176.54 174.33 3kbc h VAL 201 N -0.58 0.76 0.00 4.60 2.07 0.15 0.46 116.25 123.71 3kbc h VAL 201 Ca -0.05 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3kbc h VAL 201 Cb 0.43 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3kbc h VAL 201 CO 0.08 0.10 0.00 0.23 0.02 0.00 0.00 177.57 178.00 3kbc n MET 202 N -4.91 0.07 0.13 1.57 2.00 0.16 0.81 117.12 116.95 3kbc n MET 202 Ca 0.14 0.57 0.13 0.00 0.00 0.00 0.00 57.70 58.53 3kbc n MET 202 Cb 0.36 -1.73 0.34 0.00 0.00 0.00 0.00 33.22 32.19 3kbc n MET 202 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 3kbc h GLN 203 N 0.00 0.00 0.00 0.03 5.75 0.20 -2.68 115.11 118.41 3kbc h GLN 203 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3kbc h GLN 203 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 3kbc h GLN 203 CO 0.00 0.00 -1.10 0.98 -2.65 0.00 0.00 178.83 176.06 3kbc n TYR 204 N -2.44 0.04 -0.28 3.99 9.36 0.24 -4.44 117.16 123.63 3kbc n TYR 204 Ca 0.05 0.01 0.07 0.00 3.32 0.00 0.00 57.90 61.35 3kbc n TYR 204 Cb 0.45 -0.16 0.19 0.00 -0.63 0.00 0.00 39.34 39.19 3kbc n TYR 204 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3kbc h ALA 205 N 2.79 0.88 -0.45 2.98 0.00 -1.07 -0.87 119.26 123.52 3kbc h ALA 205 Ca 0.00 0.26 0.09 0.00 0.00 0.00 0.00 54.91 55.26 3kbc h ALA 205 Cb 0.60 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 18.75 3kbc h ALA 205 CO 0.00 -0.44 -0.14 -1.00 0.00 0.00 0.00 179.25 177.66 3kbc h PRO 206 N 0.10 -0.04 0.21 0.00 0.13 -1.78 0.50 132.00 131.13 3kbc h PRO 206 Ca 0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.57 3kbc h PRO 206 Cb 0.83 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3kbc h PRO 206 CO -0.71 -0.02 -0.10 0.82 -0.23 0.00 0.00 178.00 177.75 3kbc h ILE 207 N -0.04 0.87 -0.22 -3.56 2.04 -1.54 -2.45 117.51 112.61 3kbc h ILE 207 Ca 0.22 -0.64 0.06 0.00 1.00 0.00 0.00 64.86 65.50 3kbc h ILE 207 Cb 0.37 1.23 -0.06 0.00 -0.74 0.00 0.00 36.82 37.62 3kbc h ILE 207 CO -0.48 0.14 -0.19 1.23 0.00 0.00 0.00 178.15 178.85 3kbc h GLY 208 N -0.62 -0.06 0.71 5.37 0.00 -0.84 -1.71 103.07 105.92 3kbc h GLY 208 Ca -0.03 0.23 0.06 0.00 0.00 0.00 0.00 47.33 47.59 3kbc h GLY 208 CO 0.05 -0.18 0.52 -2.08 0.00 0.00 0.00 176.54 174.85 3kbc h VAL 209 N -0.19 1.03 -0.72 4.60 2.07 -0.06 -0.19 116.25 122.79 3kbc h VAL 209 Ca 0.13 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 67.39 3kbc h VAL 209 Cb 0.38 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 3kbc h VAL 209 CO -0.33 0.17 0.47 0.15 0.02 0.00 0.00 177.57 178.05 3kbc h PHE 210 N 0.93 0.77 0.15 1.57 3.04 -0.83 -2.31 116.94 120.27 3kbc h PHE 210 Ca 0.37 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.33 3kbc h PHE 210 Cb 0.18 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 38.44 3kbc h PHE 210 CO -0.04 0.41 -0.07 0.00 -2.02 0.00 0.00 178.31 176.59 3kbc h ALA 211 N 1.61 -0.20 -0.74 2.41 0.00 -0.44 -2.52 119.26 119.37 3kbc h ALA 211 Ca 0.31 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kbc h ALA 211 Cb 0.23 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3kbc h ALA 211 CO -0.10 -0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.16 3kbc n LEU 212 N -4.90 0.00 0.06 0.00 4.77 -0.23 -0.98 117.00 115.73 3kbc n LEU 212 Ca -0.07 0.88 0.17 0.00 -0.03 0.00 0.00 56.01 56.96 3kbc n LEU 212 Cb 0.26 -0.38 0.68 0.00 -2.33 0.00 0.00 43.42 41.65 3kbc n LEU 212 CO 0.24 -0.38 1.16 0.16 -1.33 0.00 0.00 177.39 177.24 3kbc h ILE 213 N 0.00 0.80 -0.32 -0.08 -0.00 -1.61 -0.01 117.51 116.29 3kbc h ILE 213 Ca 0.00 -0.00 0.02 0.00 -0.00 0.00 0.00 64.86 64.88 3kbc h ILE 213 Cb 0.00 0.80 -0.02 0.00 -0.00 0.00 0.00 36.82 37.59 3kbc h ILE 213 CO 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 178.15 178.32 3kbc h ALA 214 N 1.80 0.39 0.08 0.16 0.00 -0.87 -1.70 119.26 119.12 3kbc h ALA 214 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kbc h ALA 214 Cb 0.77 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3kbc h ALA 214 CO -0.00 -0.20 -0.04 -0.92 0.00 0.00 0.00 179.25 178.09 3kbc h TYR 215 N 0.36 -0.10 0.00 0.00 3.20 0.72 -2.46 116.97 118.69 3kbc h TYR 215 Ca 0.13 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.00 3kbc h TYR 215 Cb 0.02 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.33 3kbc h TYR 215 CO -0.09 0.22 0.16 0.28 -1.64 0.00 0.00 178.16 177.09 3kbc h VAL 216 N -0.43 0.00 0.02 1.81 2.07 -0.99 -0.35 116.25 118.38 3kbc h VAL 216 Ca -0.01 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.20 3kbc h VAL 216 Cb 0.36 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 3kbc h VAL 216 CO 0.02 0.00 -1.81 0.23 0.02 0.00 0.00 177.57 176.03 3kbc n MET 217 N -2.85 0.66 0.00 1.57 2.81 -0.65 -3.89 117.12 114.78 3kbc n MET 217 Ca -0.02 0.27 -0.03 0.00 -1.81 0.00 0.00 57.70 56.11 3kbc n MET 217 Cb 0.21 -1.76 0.22 0.00 -0.71 0.00 0.00 33.22 31.18 3kbc n MET 217 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kbc h ALA 218 N 0.84 1.15 -2.07 3.04 0.00 -0.62 -3.37 119.26 118.24 3kbc h ALA 218 Ca -0.33 -0.31 -0.58 0.00 0.00 0.00 0.00 54.91 53.69 3kbc h ALA 218 Cb 2.03 -0.13 -0.11 0.00 0.00 0.00 0.00 17.79 19.58 3kbc h ALA 218 CO 0.08 0.53 -0.65 -1.21 0.00 0.00 0.00 179.25 177.99 3kbc s GLU 219 N -4.63 2.07 0.00 0.00 2.02 -0.75 -4.52 118.70 112.89 3kbc s GLU 219 Ca -0.07 -1.65 0.00 0.00 0.02 0.00 0.00 54.97 53.27 3kbc s GLU 219 Cb 0.14 -1.97 0.00 0.00 0.10 0.00 0.00 34.13 32.40 3kbc s GLU 219 CO 0.79 0.25 0.00 1.04 0.02 0.00 0.00 175.26 177.35 3kbc n GLN 220 N -0.87 0.00 0.00 1.61 1.13 -1.26 -4.61 117.38 113.38 3kbc n GLN 220 Ca -0.05 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 3kbc n GLN 220 Cb 0.61 -2.53 0.00 0.00 0.11 0.00 0.00 30.24 28.43 3kbc n GLN 220 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kbc n GLY 221 N -2.00 3.38 0.00 1.08 0.00 -1.26 -2.94 105.19 103.46 3kbc n GLY 221 Ca 0.00 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 45.96 3kbc n GLY 221 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kbc n VAL 222 N 0.00 0.00 -0.13 1.61 0.31 -1.26 -4.52 118.33 114.34 3kbc n VAL 222 Ca 0.00 -0.24 0.28 0.00 -0.01 0.00 0.00 64.34 64.37 3kbc n VAL 222 Cb 0.00 0.66 0.70 0.00 -0.91 0.00 0.00 33.84 34.30 3kbc n VAL 222 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 3kbc h HIS 223 N 0.00 0.00 -0.47 3.52 3.86 -1.93 0.59 115.15 120.72 3kbc h HIS 223 Ca 0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 3kbc h HIS 223 Cb 0.44 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 3kbc h HIS 223 CO 0.00 0.00 0.02 -0.39 0.86 0.00 0.00 177.93 178.42 3kbc h VAL 224 N 0.00 1.23 -0.96 2.45 -1.51 -1.80 -2.55 116.25 113.12 3kbc h VAL 224 Ca 0.39 -0.94 0.11 0.00 -1.23 0.00 0.00 66.70 65.04 3kbc h VAL 224 Cb 1.81 0.85 -0.08 0.00 -2.13 0.00 0.00 31.29 31.74 3kbc h VAL 224 CO -0.00 0.33 0.61 0.58 -1.23 0.00 0.00 177.57 177.86 3kbc h VAL 225 N 0.72 0.93 0.12 7.19 2.07 -1.20 0.71 116.25 126.78 3kbc h VAL 225 Ca 0.15 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 3kbc h VAL 225 Cb 0.41 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 3kbc h VAL 225 CO 0.01 0.17 -0.06 1.23 0.02 0.00 0.00 177.57 178.95 3kbc h GLY 226 N 0.94 -0.16 0.98 2.17 0.00 -1.55 -1.28 103.07 104.17 3kbc h GLY 226 Ca 0.47 0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.82 3kbc h GLY 226 CO -0.23 -0.06 0.19 0.83 0.00 0.00 0.00 176.54 177.27 3kbc h GLU 227 N -0.33 0.83 -0.15 4.80 4.39 -1.09 0.70 114.58 123.73 3kbc h GLU 227 Ca -0.02 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.52 3kbc h GLU 227 Cb 0.27 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3kbc h GLU 227 CO 0.03 0.74 0.10 -0.07 -1.16 0.00 0.00 179.01 178.64 3kbc h LEU 228 N 0.74 0.18 -0.31 1.33 3.38 0.43 0.31 115.31 121.38 3kbc h LEU 228 Ca 0.18 -0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.95 3kbc h LEU 228 Cb 0.24 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3kbc h LEU 228 CO -0.01 0.15 -0.49 0.00 0.09 0.00 0.00 178.44 178.19 3kbc h ALA 229 N 1.04 0.47 0.00 1.53 0.00 -1.14 -1.81 119.26 119.35 3kbc h ALA 229 Ca 0.06 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3kbc h ALA 229 Cb -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3kbc h ALA 229 CO -0.01 0.64 0.00 -0.22 0.00 0.00 0.00 179.25 179.66 3kbc h LYS 230 N 0.66 0.00 0.00 0.00 3.11 0.72 -0.58 116.57 120.48 3kbc h LYS 230 Ca 0.03 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 57.76 3kbc h LYS 230 Cb 1.09 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.31 3kbc h LYS 230 CO 0.11 0.00 -0.60 0.28 -2.81 0.00 0.00 179.45 176.43 3kbc h VAL 231 N 0.00 1.12 -0.73 2.00 2.07 -0.34 -3.21 116.25 117.16 3kbc h VAL 231 Ca 0.00 -2.06 0.15 0.00 0.82 0.00 0.00 66.70 65.61 3kbc h VAL 231 Cb 0.06 2.33 -0.10 0.00 -1.52 0.00 0.00 31.29 32.06 3kbc h VAL 231 CO 0.00 0.38 0.22 0.74 0.02 0.00 0.00 177.57 178.93 3kbc h THR 232 N -1.00 0.59 0.06 2.57 2.02 -0.49 -0.20 112.91 116.46 3kbc h THR 232 Ca -0.16 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 66.93 3kbc h THR 232 Cb 1.02 0.22 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 3kbc h THR 232 CO -0.09 0.06 -0.39 0.00 0.37 0.00 0.00 175.52 175.46 3kbc h ALA 233 N 1.57 -0.66 -1.02 6.16 0.00 -1.27 -0.29 119.26 123.76 3kbc h ALA 233 Ca 0.40 -0.05 0.25 0.00 0.00 0.00 0.00 54.91 55.51 3kbc h ALA 233 Cb 0.65 0.68 -0.09 0.00 0.00 0.00 0.00 17.79 19.03 3kbc h ALA 233 CO -0.45 -0.94 0.65 0.00 0.00 0.00 0.00 179.25 178.50 3kbc h ALA 234 N -0.04 2.14 -1.86 0.00 0.00 -1.07 -0.02 119.26 118.41 3kbc h ALA 234 Ca 0.04 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kbc h ALA 234 Cb 0.65 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3kbc h ALA 234 CO -0.27 -0.53 0.00 0.28 0.00 0.00 0.00 179.25 178.74 3kbc n VAL 235 N -4.64 0.00 -0.18 0.00 0.31 -0.24 -3.08 118.33 110.49 3kbc n VAL 235 Ca 0.24 0.76 -0.06 0.00 -0.01 0.00 0.00 64.34 65.27 3kbc n VAL 235 Cb 0.81 -1.49 -0.01 0.00 -0.91 0.00 0.00 33.84 32.25 3kbc n VAL 235 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 3kbc h TYR 236 N 0.00 -1.00 0.00 3.52 -1.99 -1.10 1.77 116.97 118.17 3kbc h TYR 236 Ca 0.00 0.07 0.00 0.00 2.00 0.00 0.00 58.73 60.80 3kbc h TYR 236 Cb 0.00 0.52 0.00 0.00 2.00 0.00 0.00 36.73 39.25 3kbc h TYR 236 CO 0.05 -0.39 0.06 1.33 -0.00 0.00 0.00 178.16 179.20 3kbc n VAL 237 N -5.43 1.05 -0.12 -2.88 0.24 -0.03 0.52 118.33 111.68 3kbc n VAL 237 Ca 0.03 0.32 -0.17 0.00 -2.04 0.00 0.00 64.34 62.48 3kbc n VAL 237 Cb 0.35 -1.32 -0.11 0.00 -1.47 0.00 0.00 33.84 31.29 3kbc n VAL 237 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kbc n GLY 238 N -1.23 -0.34 0.19 7.63 0.00 0.56 -3.82 105.19 108.18 3kbc n GLY 238 Ca 0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 3kbc n GLY 238 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kbc h LEU 239 N -0.02 0.59 -1.13 0.99 3.38 0.41 -0.88 115.31 118.65 3kbc h LEU 239 Ca -0.55 -0.36 -0.09 0.00 0.09 0.00 0.00 57.88 56.97 3kbc h LEU 239 Cb 1.84 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 3kbc h LEU 239 CO -0.09 0.82 -0.34 0.71 0.09 0.00 0.00 178.44 179.63 3kbc h THR 240 N 0.36 1.27 -0.42 0.22 1.35 -1.02 -2.01 112.91 112.67 3kbc h THR 240 Ca 0.08 -1.29 -0.14 0.00 -0.55 0.00 0.00 66.41 64.51 3kbc h THR 240 Cb 0.55 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.55 3kbc h THR 240 CO 0.03 0.38 -0.30 0.25 -0.25 0.00 0.00 175.52 175.63 3kbc h LEU 241 N 0.15 0.95 -0.03 3.87 6.46 -1.62 -0.88 115.31 124.21 3kbc h LEU 241 Ca 0.02 -0.39 0.03 0.00 -0.12 0.00 0.00 57.88 57.42 3kbc h LEU 241 Cb 0.67 -0.27 -0.06 0.00 -0.73 0.00 0.00 40.66 40.28 3kbc h LEU 241 CO 0.05 1.17 -0.43 -0.61 -0.62 0.00 0.00 178.44 178.00 3kbc h GLN 242 N 0.77 -0.54 0.78 1.25 5.75 -0.44 0.90 115.11 123.57 3kbc h GLN 242 Ca 0.08 0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.58 3kbc h GLN 242 Cb 0.87 0.12 0.01 0.00 1.07 0.00 0.00 27.48 29.55 3kbc h GLN 242 CO 0.08 -0.36 -0.37 0.82 -2.65 0.00 0.00 178.83 176.34 3kbc h ILE 243 N -0.56 0.23 -0.44 2.39 2.04 -1.37 0.26 117.51 120.05 3kbc h ILE 243 Ca 0.05 -0.02 0.02 0.00 1.00 0.00 0.00 64.86 65.91 3kbc h ILE 243 Cb 0.65 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 3kbc h ILE 243 CO -0.34 0.00 0.27 -0.07 0.00 0.00 0.00 178.15 178.01 3kbc h LEU 244 N -1.06 0.43 0.00 1.44 3.38 -0.97 0.24 115.31 118.78 3kbc h LEU 244 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3kbc h LEU 244 Cb 0.80 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3kbc h LEU 244 CO 0.18 0.31 -0.67 0.25 0.09 0.00 0.00 178.44 178.60 3kbc h LEU 245 N 0.54 0.00 0.00 1.67 6.46 0.78 -3.30 115.31 121.46 3kbc h LEU 245 Ca 0.18 -0.18 -0.12 0.00 -0.12 0.00 0.00 57.88 57.63 3kbc h LEU 245 Cb 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 3kbc h LEU 245 CO -0.08 0.09 -1.15 0.52 -0.62 0.00 0.00 178.44 177.20 3kbc n VAL 246 N -2.21 1.03 0.00 1.05 0.31 0.90 -4.48 118.33 114.92 3kbc n VAL 246 Ca 0.03 0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 3kbc n VAL 246 Cb 0.46 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 3kbc n VAL 246 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3kbc n TYR 247 N -3.77 0.00 -0.38 3.52 4.01 0.74 -1.89 117.16 119.39 3kbc n TYR 247 Ca -0.17 0.00 0.30 0.00 -0.16 0.00 0.00 57.90 57.86 3kbc n TYR 247 Cb 0.48 -0.21 0.56 0.00 -0.31 0.00 0.00 39.34 39.86 3kbc n TYR 247 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 3kbc h PHE 248 N 0.00 0.69 -0.33 -0.72 -1.00 -1.40 0.59 116.94 114.78 3kbc h PHE 248 Ca 0.00 0.03 -0.08 0.00 2.81 0.00 0.00 57.97 60.73 3kbc h PHE 248 Cb 0.00 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.36 3kbc h PHE 248 CO 0.06 -0.15 -0.15 0.28 -1.61 0.00 0.00 178.31 176.74 3kbc h VAL 249 N 0.22 1.25 -0.60 -0.55 2.07 -1.64 -1.89 116.25 115.11 3kbc h VAL 249 Ca 0.75 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3kbc h VAL 249 Cb 2.05 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 3kbc h VAL 249 CO -0.47 0.37 0.00 0.00 0.02 0.00 0.00 177.57 177.49 3kbc n LEU 250 N -4.17 3.28 -0.08 2.57 -0.00 0.19 -3.36 117.00 115.42 3kbc n LEU 250 Ca 0.01 -1.62 -0.09 0.00 -0.00 0.00 0.00 56.01 54.30 3kbc n LEU 250 Cb 0.35 -0.40 -0.11 0.00 -0.00 0.00 0.00 43.42 43.27 3kbc n LEU 250 CO 0.41 0.81 -1.03 0.18 -0.00 0.00 0.00 177.39 177.77 3kbc n LEU 251 N 1.30 0.98 0.05 1.47 4.77 0.01 -4.04 117.00 121.55 3kbc n LEU 251 Ca 0.20 -0.03 0.13 0.00 -0.03 0.00 0.00 56.01 56.28 3kbc n LEU 251 Cb 0.52 0.03 0.36 0.00 -2.33 0.00 0.00 43.42 41.99 3kbc n LEU 251 CO 0.14 0.51 0.67 1.17 -1.33 0.00 0.00 177.39 178.56 3kbc n LYS 252 N -2.71 0.18 0.22 3.23 0.00 -0.76 -0.11 118.16 118.22 3kbc n LYS 252 Ca -0.27 0.10 0.12 0.00 0.00 0.00 0.00 58.31 58.25 3kbc n LYS 252 Cb 0.94 -1.66 0.27 0.00 0.00 0.00 0.00 35.03 34.58 3kbc n LYS 252 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.40 178.37 3kbc h ILE 253 N 0.00 0.13 -0.14 3.15 6.09 -1.71 -3.26 117.51 121.76 3kbc h ILE 253 Ca 0.00 -1.05 -0.08 0.00 -1.37 0.00 0.00 64.86 62.36 3kbc h ILE 253 Cb 0.65 1.94 -0.05 0.00 0.47 0.00 0.00 36.82 39.83 3kbc h ILE 253 CO 0.00 0.07 -0.38 -1.22 -3.07 0.00 0.00 178.15 173.54 3kbc n TYR 254 N -3.13 0.46 -3.79 2.19 4.01 -1.11 -4.98 117.16 110.81 3kbc n TYR 254 Ca 0.03 -1.57 -0.29 0.00 -0.16 0.00 0.00 57.90 55.90 3kbc n TYR 254 Cb 0.50 -0.33 0.01 0.00 -0.31 0.00 0.00 39.34 39.21 3kbc n TYR 254 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kbc n GLY 255 N -1.11 -0.49 3.37 2.72 0.00 -1.20 -4.97 105.19 103.52 3kbc n GLY 255 Ca 0.25 0.16 -0.34 0.00 0.00 0.00 0.00 46.02 46.09 3kbc n GLY 255 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kbc s ILE 256 N -3.21 3.42 -0.52 -0.61 -1.09 0.85 -5.02 121.20 115.01 3kbc s ILE 256 Ca 0.60 -0.50 -0.27 0.00 -2.23 0.00 0.00 60.65 58.25 3kbc s ILE 256 Cb -0.31 -2.52 -0.01 0.00 -1.58 0.00 0.00 42.46 38.04 3kbc s ILE 256 CO 0.74 0.46 1.73 -0.62 -1.23 0.00 0.00 174.94 176.03 3kbc s ASP 257 N 0.98 5.65 0.08 3.58 3.68 -1.26 -3.98 116.67 125.40 3kbc s ASP 257 Ca -0.00 0.59 -0.30 0.00 2.13 0.00 0.00 52.55 54.97 3kbc s ASP 257 Cb -0.15 -2.53 -0.18 0.00 -1.45 0.00 0.00 42.92 38.61 3kbc s ASP 257 CO 0.00 -2.03 1.66 1.55 0.13 0.00 0.00 175.17 176.48 3kbc h PRO 258 N 13.42 -0.59 0.00 4.34 0.13 -1.93 0.45 132.00 147.83 3kbc h PRO 258 Ca -0.28 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3kbc h PRO 258 Cb 1.15 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3kbc h PRO 258 CO 1.16 -0.39 0.00 -0.89 -0.23 0.00 0.00 178.00 177.64 3kbc n ILE 259 N -5.35 0.00 -0.33 -3.56 5.41 -1.26 -0.92 119.36 113.34 3kbc n ILE 259 Ca -0.11 1.46 0.11 0.00 1.00 0.00 0.00 62.75 65.20 3kbc n ILE 259 Cb 0.26 -2.07 0.31 0.00 -0.71 0.00 0.00 39.64 37.43 3kbc n ILE 259 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 3kbc h SER 260 N 0.00 0.80 -0.46 4.38 4.64 -1.99 -2.38 113.55 118.54 3kbc h SER 260 Ca 0.00 0.06 0.05 0.00 -0.47 0.00 0.00 61.79 61.43 3kbc h SER 260 Cb 0.00 -0.09 -0.07 0.00 -0.31 0.00 0.00 62.40 61.93 3kbc h SER 260 CO 0.00 0.37 -0.42 0.15 -0.87 0.00 0.00 176.83 176.06 3kbc h PHE 261 N 0.83 -1.33 -0.07 4.77 3.57 1.00 0.23 116.94 125.93 3kbc h PHE 261 Ca 0.51 0.07 0.02 0.00 3.53 0.00 0.00 57.97 62.11 3kbc h PHE 261 Cb 0.71 0.64 -0.00 0.00 2.79 0.00 0.00 35.95 40.09 3kbc h PHE 261 CO -0.00 -0.33 0.11 0.82 -2.23 0.00 0.00 178.31 176.68 3kbc h ILE 262 N -0.19 0.33 0.00 1.41 1.08 -0.63 -0.80 117.51 118.72 3kbc h ILE 262 Ca 0.08 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.49 3kbc h ILE 262 Cb 0.39 0.90 -0.01 0.00 -3.07 0.00 0.00 36.82 35.04 3kbc h ILE 262 CO -0.54 0.00 -0.27 0.50 -0.69 0.00 0.00 178.15 177.15 3kbc h LYS 263 N 0.00 0.00 0.17 2.37 1.63 -0.41 -0.15 116.57 120.18 3kbc h LYS 263 Ca 0.03 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.50 3kbc h LYS 263 Cb 0.26 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.90 3kbc h LYS 263 CO -0.00 0.27 -1.67 0.45 -3.45 0.00 0.00 179.45 175.05 3kbc h HIS 264 N 0.00 0.64 0.00 1.91 3.86 -0.95 -3.24 115.15 117.37 3kbc h HIS 264 Ca -0.00 -0.47 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 3kbc h HIS 264 Cb 0.61 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.05 3kbc h HIS 264 CO 0.00 1.65 0.00 0.00 0.86 0.00 0.00 177.93 180.44 3kbc n ALA 265 N -2.90 2.29 -0.29 2.45 0.00 -1.04 -3.55 120.51 117.46 3kbc n ALA 265 Ca -0.25 -0.13 0.20 0.00 0.00 0.00 0.00 53.44 53.26 3kbc n ALA 265 Cb 1.03 -1.37 0.49 0.00 0.00 0.00 0.00 19.45 19.60 3kbc n ALA 265 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3kbc h LYS 266 N 0.00 0.43 0.12 0.00 3.64 -1.05 0.33 116.57 120.04 3kbc h LYS 266 Ca 0.00 -0.03 -0.32 0.00 -1.27 0.00 0.00 60.65 59.03 3kbc h LYS 266 Cb 0.07 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3kbc h LYS 266 CO 0.00 0.28 -1.66 -0.44 -2.27 0.00 0.00 179.45 175.36 3kbc h ASP 267 N 0.44 0.40 0.01 4.20 3.32 -1.82 -3.09 116.42 119.87 3kbc h ASP 267 Ca 0.54 -0.62 -0.09 0.00 0.02 0.00 0.00 57.03 56.88 3kbc h ASP 267 Cb 1.31 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 3kbc h ASP 267 CO -0.25 1.53 -0.25 0.00 -1.72 0.00 0.00 179.24 178.56 3kbc h ALA 268 N 0.41 1.19 0.19 3.45 0.00 -1.42 -2.00 119.26 121.08 3kbc h ALA 268 Ca -0.29 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 3kbc h ALA 268 Cb 2.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.71 3kbc h ALA 268 CO 0.15 0.52 -0.09 0.52 0.00 0.00 0.00 179.25 180.34 3kbc h MET 269 N 0.35 -0.25 -0.97 0.00 2.86 -0.52 -2.87 114.93 113.54 3kbc h MET 269 Ca 0.05 0.02 0.23 0.00 -2.06 0.00 0.00 59.70 57.94 3kbc h MET 269 Cb 0.63 0.06 -0.08 0.00 0.06 0.00 0.00 31.60 32.26 3kbc h MET 269 CO 0.04 -0.17 0.63 -0.07 1.06 0.00 0.00 176.91 178.41 3kbc h LEU 270 N -0.84 0.43 0.78 1.22 -0.00 -1.62 0.53 115.31 115.81 3kbc h LEU 270 Ca -0.03 0.06 -0.04 0.00 -0.00 0.00 0.00 57.88 57.87 3kbc h LEU 270 Cb 0.20 -0.02 0.01 0.00 -0.00 0.00 0.00 40.66 40.85 3kbc h LEU 270 CO 0.04 0.14 -0.37 0.74 -0.00 0.00 0.00 178.44 178.99 3kbc h THR 271 N 0.41 0.00 -0.98 0.22 2.02 -1.45 -1.80 112.91 111.33 3kbc h THR 271 Ca 0.52 -0.04 0.07 0.00 0.77 0.00 0.00 66.41 67.74 3kbc h THR 271 Cb 1.30 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.64 3kbc h THR 271 CO -0.22 0.00 0.63 0.00 0.37 0.00 0.00 175.52 176.30 3kbc h ALA 272 N -1.48 1.45 -0.29 6.16 0.00 -1.03 -0.63 119.26 123.44 3kbc h ALA 272 Ca -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3kbc h ALA 272 Cb 0.80 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3kbc h ALA 272 CO 0.18 0.39 0.19 0.35 0.00 0.00 0.00 179.25 180.36 3kbc h PHE 273 N 1.12 0.36 0.04 0.00 3.57 0.16 0.30 116.94 122.49 3kbc h PHE 273 Ca 0.43 0.01 -0.34 0.00 3.53 0.00 0.00 57.97 61.60 3kbc h PHE 273 Cb 0.23 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.80 3kbc h PHE 273 CO -0.00 0.23 -2.01 0.28 -2.23 0.00 0.00 178.31 174.58 3kbc n VAL 274 N -4.49 1.60 0.06 1.41 0.31 -0.69 -4.31 118.33 112.22 3kbc n VAL 274 Ca 0.01 -0.74 -0.09 0.00 -0.01 0.00 0.00 64.34 63.51 3kbc n VAL 274 Cb 0.07 -1.17 -0.13 0.00 -0.91 0.00 0.00 33.84 31.70 3kbc n VAL 274 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3kbc h THR 275 N 0.02 1.61 0.00 2.52 1.35 -1.08 -3.47 112.91 113.86 3kbc h THR 275 Ca -0.41 -3.30 0.00 0.00 -0.55 0.00 0.00 66.41 62.15 3kbc h THR 275 Cb 2.05 2.84 0.00 0.00 -1.73 0.00 0.00 68.15 71.31 3kbc h THR 275 CO 0.05 0.93 0.00 0.54 -0.25 0.00 0.00 175.52 176.79 3kbc n ARG 276 N -3.37 -0.88 -3.48 4.72 1.74 0.10 -4.82 116.66 110.68 3kbc n ARG 276 Ca -0.03 0.22 -0.38 0.00 -0.77 0.00 0.00 57.85 56.89 3kbc n ARG 276 Cb 0.97 -4.03 -0.04 0.00 -1.02 0.00 0.00 32.46 28.33 3kbc n ARG 276 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3kbc n SER 277 N -0.44 4.75 -0.33 0.55 2.88 -1.26 -3.76 113.62 116.02 3kbc n SER 277 Ca 0.00 -3.17 0.22 0.00 -1.33 0.00 0.00 58.87 54.59 3kbc n SER 277 Cb 0.22 -1.13 0.42 0.00 -0.75 0.00 0.00 64.21 62.98 3kbc n SER 277 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 3kbc h SER 278 N 5.93 -0.08 0.01 -3.46 0.87 -1.85 0.50 113.55 115.48 3kbc h SER 278 Ca 0.17 0.27 -0.00 0.00 -1.23 0.00 0.00 61.79 61.00 3kbc h SER 278 Cb 0.79 0.37 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 3kbc h SER 278 CO 0.95 -0.37 -0.01 -1.28 -0.53 0.00 0.00 176.83 175.59 3kbc h SER 279 N 0.03 -0.02 0.30 6.23 0.87 -1.70 -2.85 113.55 116.41 3kbc h SER 279 Ca 0.71 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 3kbc h SER 279 Cb 1.68 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.64 3kbc h SER 279 CO -0.84 0.33 0.00 0.61 -0.53 0.00 0.00 176.83 176.41 3kbc n GLY 280 N -0.16 -0.84 1.74 5.77 0.00 0.14 -1.76 105.19 110.08 3kbc n GLY 280 Ca -0.08 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 3kbc n GLY 280 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kbc n THR 281 N -1.65 2.86 0.02 2.61 -1.04 0.62 -4.55 114.28 113.15 3kbc n THR 281 Ca 0.02 -2.05 -0.18 0.00 -2.04 0.00 0.00 64.05 59.79 3kbc n THR 281 Cb 0.10 -0.37 -0.12 0.00 -1.82 0.00 0.00 70.33 68.12 3kbc n THR 281 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3kbc h LEU 282 N 1.61 0.52 -0.56 -4.42 5.85 -1.38 -2.97 115.31 113.95 3kbc h LEU 282 Ca 0.35 -0.83 0.05 0.00 0.84 0.00 0.00 57.88 58.29 3kbc h LEU 282 Cb 2.24 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 43.07 3kbc h LEU 282 CO 0.71 1.29 0.30 -0.65 -0.34 0.00 0.00 178.44 179.75 3kbc h PRO 283 N -0.18 0.56 0.00 5.25 0.11 -1.83 -0.04 132.00 135.87 3kbc h PRO 283 Ca -0.10 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 3kbc h PRO 283 Cb 1.44 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 3kbc h PRO 283 CO 0.13 0.37 -0.04 0.28 -0.21 0.00 0.00 178.00 178.54 3kbc h VAL 284 N 0.58 0.11 0.00 3.15 2.07 -1.88 -0.52 116.25 119.76 3kbc h VAL 284 Ca 0.25 -0.57 -0.17 0.00 0.82 0.00 0.00 66.70 67.03 3kbc h VAL 284 Cb 0.13 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 3kbc h VAL 284 CO -0.15 0.04 -0.90 0.74 0.02 0.00 0.00 177.57 177.32 3kbc h THR 285 N 0.00 1.17 0.03 2.57 2.02 -0.90 -3.23 112.91 114.56 3kbc h THR 285 Ca -0.00 -2.72 -0.30 0.00 0.77 0.00 0.00 66.41 64.16 3kbc h THR 285 Cb 0.50 2.55 -0.04 0.00 -1.74 0.00 0.00 68.15 69.43 3kbc h THR 285 CO 0.01 0.67 -1.67 0.24 0.37 0.00 0.00 175.52 175.13 3kbc h MET 286 N 0.00 0.05 -0.86 6.66 2.86 -0.65 -2.67 114.93 120.33 3kbc h MET 286 Ca -0.05 -0.09 0.04 0.00 -2.06 0.00 0.00 59.70 57.55 3kbc h MET 286 Cb 1.61 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 33.25 3kbc h MET 286 CO 0.09 0.67 0.55 -0.09 1.06 0.00 0.00 176.91 179.19 3kbc h ARG 287 N 0.01 1.01 0.00 1.72 2.43 -1.22 0.62 114.38 118.96 3kbc h ARG 287 Ca -0.28 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 3kbc h ARG 287 Cb 2.00 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 31.32 3kbc h ARG 287 CO 0.09 0.67 0.00 0.28 -1.51 0.00 0.00 179.97 179.50 3kbc h VAL 288 N 1.04 0.00 0.42 0.20 2.07 -1.64 -3.09 116.25 115.25 3kbc h VAL 288 Ca 0.35 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 3kbc h VAL 288 Cb 0.06 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3kbc h VAL 288 CO -0.13 0.00 -0.44 0.00 0.02 0.00 0.00 177.57 177.02 3kbc h ALA 289 N 2.12 -1.09 0.01 1.67 0.00 0.63 -3.15 119.26 119.44 3kbc h ALA 289 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3kbc h ALA 289 Cb 0.65 0.68 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3kbc h ALA 289 CO 0.00 -1.12 -0.00 0.87 0.00 0.00 0.00 179.25 178.99 3kbc h LYS 290 N -0.86 -0.01 0.00 0.00 1.57 -1.56 -2.94 116.57 112.78 3kbc h LYS 290 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3kbc h LYS 290 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 3kbc h LYS 290 CO -0.06 -0.01 0.00 0.39 -0.57 0.00 0.00 179.45 179.20 3kbc n GLU 291 N -2.03 0.00 -1.45 3.15 1.02 -1.17 0.60 120.64 120.76 3kbc n GLU 291 Ca -0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 3kbc n GLU 291 Cb 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 31.50 3kbc n GLU 291 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kbc n MET 292 N -1.53 2.82 -3.88 3.49 0.00 -1.19 -4.94 117.12 111.89 3kbc n MET 292 Ca 0.00 -3.46 -0.26 0.00 0.00 0.00 0.00 57.70 53.97 3kbc n MET 292 Cb 0.00 -2.26 -0.00 0.00 0.00 0.00 0.00 33.22 30.96 3kbc n MET 292 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3kbc n GLY 293 N -0.90 -0.38 3.75 3.17 0.00 2.52 -4.98 105.19 108.37 3kbc n GLY 293 Ca 0.57 0.20 -0.36 0.00 0.00 0.00 0.00 46.02 46.43 3kbc n GLY 293 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kbc s ILE 294 N -3.84 5.35 0.25 -0.61 1.01 -1.11 -5.01 121.20 117.24 3kbc s ILE 294 Ca 0.10 0.41 -0.31 0.00 0.00 0.00 0.00 60.65 60.85 3kbc s ILE 294 Cb -0.04 -3.56 -0.12 0.00 0.01 0.00 0.00 42.46 38.75 3kbc s ILE 294 CO 0.88 0.44 1.61 -0.24 0.00 0.00 0.00 174.94 177.63 3kbc n SER 295 N 3.29 3.70 -0.03 3.58 2.88 -1.26 -4.49 113.62 121.30 3kbc n SER 295 Ca -0.14 1.12 -0.14 0.00 -1.33 0.00 0.00 58.87 58.37 3kbc n SER 295 Cb 0.52 -1.55 -0.10 0.00 -0.75 0.00 0.00 64.21 62.33 3kbc n SER 295 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3kbc h GLU 296 N 5.35 -0.52 0.00 -1.46 4.57 -1.99 0.03 114.58 120.57 3kbc h GLU 296 Ca -0.45 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 3kbc h GLU 296 Cb 1.23 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 3kbc h GLU 296 CO 0.84 -0.34 0.04 0.41 -1.18 0.00 0.00 179.01 178.77 3kbc n GLY 297 N -1.41 -0.52 0.11 1.92 0.00 -1.26 -1.65 105.19 102.38 3kbc n GLY 297 Ca -0.06 0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 3kbc n GLY 297 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kbc n ILE 298 N -1.59 1.52 0.98 -0.61 -0.00 -0.04 -4.02 119.36 115.60 3kbc n ILE 298 Ca -0.00 -0.07 0.13 0.00 -0.00 0.00 0.00 62.75 62.81 3kbc n ILE 298 Cb 0.04 -2.05 0.48 0.00 -0.00 0.00 0.00 39.64 38.12 3kbc n ILE 298 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3kbc n TYR 299 N -4.42 0.05 0.27 1.39 4.11 -0.97 -1.68 117.16 115.91 3kbc n TYR 299 Ca -0.34 0.01 0.14 0.00 -0.00 0.00 0.00 57.90 57.71 3kbc n TYR 299 Cb 0.68 -0.44 0.34 0.00 -0.00 0.00 0.00 39.34 39.92 3kbc n TYR 299 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 3kbc h SER 300 N 0.00 0.00 0.00 9.48 0.87 -1.51 -3.02 113.55 119.37 3kbc h SER 300 Ca 0.00 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.23 3kbc h SER 300 Cb 0.51 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.42 3kbc h SER 300 CO 0.00 0.00 -2.20 0.33 -0.53 0.00 0.00 176.83 174.43 3kbc n PHE 301 N -3.02 0.00 -0.03 2.24 7.35 -1.12 -4.61 117.46 118.26 3kbc n PHE 301 Ca 0.03 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.63 3kbc n PHE 301 Cb 0.45 -0.79 -0.08 0.00 0.35 0.00 0.00 39.48 39.41 3kbc n PHE 301 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 3kbc h THR 302 N -0.33 1.02 -1.01 -2.13 1.35 -1.45 -3.25 112.91 107.11 3kbc h THR 302 Ca -0.50 -1.64 0.23 0.00 -0.55 0.00 0.00 66.41 63.95 3kbc h THR 302 Cb 1.62 1.89 -0.12 0.00 -1.73 0.00 0.00 68.15 69.81 3kbc h THR 302 CO -0.18 0.33 0.61 -0.07 -0.25 0.00 0.00 175.52 175.95 3kbc h LEU 303 N -0.96 0.68 -0.39 3.87 -0.00 -1.75 0.19 115.31 116.94 3kbc h LEU 303 Ca -0.01 0.12 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 3kbc h LEU 303 Cb 0.58 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.25 3kbc h LEU 303 CO 0.01 0.15 0.00 1.55 -0.00 0.00 0.00 178.44 180.15 3kbc h PRO 304 N 0.61 0.00 0.15 1.13 0.13 -1.73 -2.93 132.00 129.35 3kbc h PRO 304 Ca 0.62 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 65.41 3kbc h PRO 304 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 3kbc h PRO 304 CO -0.42 0.00 -1.75 1.25 -0.23 0.00 0.00 178.00 176.85 3kbc h LEU 305 N 0.00 0.49 0.00 1.56 5.85 -0.85 -3.32 115.31 119.04 3kbc h LEU 305 Ca 0.00 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 57.81 3kbc h LEU 305 Cb 0.84 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.72 3kbc h LEU 305 CO 0.00 1.77 0.00 0.61 -0.34 0.00 0.00 178.44 180.48 3kbc n GLY 306 N 1.87 -0.88 0.14 3.75 0.00 0.40 -1.87 105.19 108.59 3kbc n GLY 306 Ca -0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.60 3kbc n GLY 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbc h ALA 307 N 3.33 0.95 0.00 4.61 0.00 -1.61 -3.36 119.26 123.18 3kbc h ALA 307 Ca 0.00 -0.57 -0.23 0.00 0.00 0.00 0.00 54.91 54.12 3kbc h ALA 307 Cb 0.09 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3kbc h ALA 307 CO 0.00 0.78 -1.77 0.25 0.00 0.00 0.00 179.25 178.51 3kbc n THR 308 N -3.76 0.76 -2.43 0.00 -2.24 -1.15 -4.40 114.28 101.06 3kbc n THR 308 Ca -0.01 -0.22 -0.24 0.00 -2.27 0.00 0.00 64.05 61.32 3kbc n THR 308 Cb 0.63 -1.51 0.06 0.00 -2.10 0.00 0.00 70.33 67.41 3kbc n THR 308 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3kbc s ILE 309 N -2.26 2.43 -1.01 2.28 1.01 -0.78 -4.62 121.20 118.24 3kbc s ILE 309 Ca -0.19 -0.47 -0.06 0.00 0.00 0.00 0.00 60.65 59.93 3kbc s ILE 309 Cb 0.07 -2.96 -0.06 0.00 0.01 0.00 0.00 42.46 39.52 3kbc s ILE 309 CO 0.26 0.00 0.89 -3.20 0.00 0.00 0.00 174.94 172.89 3kbc n ASN 310 N -2.67 -6.75 -3.23 3.58 5.15 -1.26 -4.26 115.26 105.82 3kbc n ASN 310 Ca 0.09 -0.64 -0.34 0.00 -0.60 0.00 0.00 54.58 53.09 3kbc n ASN 310 Cb 0.60 -5.15 -0.01 0.00 -0.53 0.00 0.00 39.78 34.69 3kbc n ASN 310 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 3kbc n MET 311 N -3.08 4.23 0.17 1.20 2.81 -1.26 -4.77 117.12 116.41 3kbc n MET 311 Ca -0.06 -4.70 0.10 0.00 -1.81 0.00 0.00 57.70 51.22 3kbc n MET 311 Cb 0.60 -2.34 0.51 0.00 -0.71 0.00 0.00 33.22 31.28 3kbc n MET 311 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3kbc n ASP 312 N -0.19 0.49 0.09 7.83 3.85 -1.26 -0.24 116.55 127.11 3kbc n ASP 312 Ca 0.40 0.69 -0.07 0.00 -0.71 0.00 0.00 54.79 55.09 3kbc n ASP 312 Cb 0.34 -0.71 -0.02 0.00 -1.35 0.00 0.00 41.12 39.38 3kbc n ASP 312 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 3kbc h GLY 313 N 0.00 0.11 0.76 6.12 0.00 -1.82 -2.99 103.07 105.25 3kbc h GLY 313 Ca 0.00 -0.22 -0.27 0.00 0.00 0.00 0.00 47.33 46.85 3kbc h GLY 313 CO 0.00 0.19 -1.27 -0.84 0.00 0.00 0.00 176.54 174.62 3kbc h THR 314 N 0.05 1.22 -0.93 4.70 2.02 -0.90 -3.21 112.91 115.87 3kbc h THR 314 Ca -0.03 -2.51 0.20 0.00 0.77 0.00 0.00 66.41 64.84 3kbc h THR 314 Cb 1.54 2.94 -0.08 0.00 -1.74 0.00 0.00 68.15 70.82 3kbc h THR 314 CO 0.13 0.75 0.60 0.00 0.37 0.00 0.00 175.52 177.37 3kbc h ALA 315 N 0.05 2.09 -0.40 6.16 0.00 -1.35 0.66 119.26 126.46 3kbc h ALA 315 Ca -0.25 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 3kbc h ALA 315 Cb 1.83 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 3kbc h ALA 315 CO 0.14 -0.39 -0.36 1.25 0.00 0.00 0.00 179.25 179.89 3kbc h LEU 316 N 0.49 1.01 0.65 0.00 6.46 -1.61 -2.48 115.31 119.83 3kbc h LEU 316 Ca 0.49 -0.45 -0.02 0.00 -0.12 0.00 0.00 57.88 57.78 3kbc h LEU 316 Cb 1.11 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.74 3kbc h LEU 316 CO -0.22 1.25 -0.50 0.22 -0.62 0.00 0.00 178.44 178.58 3kbc h TYR 317 N 0.78 -1.35 0.00 1.25 3.20 0.20 -1.95 116.97 119.11 3kbc h TYR 317 Ca 0.07 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3kbc h TYR 317 Cb 0.95 0.50 0.00 0.00 1.54 0.00 0.00 36.73 39.73 3kbc h TYR 317 CO 0.06 -0.70 0.00 1.96 -1.64 0.00 0.00 178.16 177.84 3kbc h GLN 318 N -1.10 0.00 0.01 1.82 4.20 -0.96 0.42 115.11 119.50 3kbc h GLN 318 Ca -0.09 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.55 3kbc h GLN 318 Cb 0.92 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.70 3kbc h GLN 318 CO 0.02 0.00 -0.31 0.78 -0.67 0.00 0.00 178.83 178.65 3kbc h GLY 319 N 0.13 0.22 1.24 3.46 0.00 -0.93 -2.94 103.07 104.24 3kbc h GLY 319 Ca 0.00 -0.40 -0.28 0.00 0.00 0.00 0.00 47.33 46.65 3kbc h GLY 319 CO 0.00 0.36 -1.11 -2.08 0.00 0.00 0.00 176.54 173.70 3kbc h VAL 320 N -0.47 1.28 -0.57 4.60 2.07 -0.67 -3.28 116.25 119.22 3kbc h VAL 320 Ca -0.04 -2.33 0.11 0.00 0.82 0.00 0.00 66.70 65.26 3kbc h VAL 320 Cb 1.08 2.49 -0.09 0.00 -1.52 0.00 0.00 31.29 33.25 3kbc h VAL 320 CO 0.06 0.72 0.08 0.00 0.02 0.00 0.00 177.57 178.45 3kbc h ALA 321 N 0.38 0.63 0.19 1.67 0.00 -0.29 -1.32 119.26 120.52 3kbc h ALA 321 Ca -0.15 0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3kbc h ALA 321 Cb 1.77 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.73 3kbc h ALA 321 CO 0.22 -0.34 -0.36 1.15 0.00 0.00 0.00 179.25 179.91 3kbc h THR 322 N 0.20 0.25 -0.09 0.00 2.02 -1.57 -1.19 112.91 112.53 3kbc h THR 322 Ca 0.29 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.50 3kbc h THR 322 Cb 0.44 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 3kbc h THR 322 CO -0.41 0.00 0.13 -0.26 0.37 0.00 0.00 175.52 175.35 3kbc h PHE 323 N -0.64 0.00 0.22 3.16 -1.00 -1.42 -0.46 116.94 116.80 3kbc h PHE 323 Ca 0.01 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 3kbc h PHE 323 Cb 0.64 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.20 3kbc h PHE 323 CO -0.29 0.00 -0.11 0.35 -1.61 0.00 0.00 178.31 176.65 3kbc h PHE 324 N 0.00 -0.28 0.62 -0.55 3.57 -0.14 -0.72 116.94 119.45 3kbc h PHE 324 Ca 0.04 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 3kbc h PHE 324 Cb 0.31 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 3kbc h PHE 324 CO 0.00 0.09 -0.44 0.82 -2.23 0.00 0.00 178.31 176.55 3kbc h ILE 325 N -0.70 0.00 -0.80 1.41 1.08 -0.85 -0.36 117.51 117.29 3kbc h ILE 325 Ca -0.03 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.59 3kbc h ILE 325 Cb 0.49 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 34.09 3kbc h ILE 325 CO 0.05 0.00 -0.27 0.00 -0.69 0.00 0.00 178.15 177.24 3kbc h ALA 326 N -1.19 0.34 -0.20 1.87 0.00 -1.17 0.30 119.26 119.22 3kbc h ALA 326 Ca -0.08 0.28 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3kbc h ALA 326 Cb 0.82 0.73 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 3kbc h ALA 326 CO 0.05 -0.50 -0.23 -0.91 0.00 0.00 0.00 179.25 177.65 3kbc h ASN 327 N -0.04 0.36 0.12 0.00 2.35 -0.94 -1.86 115.58 115.57 3kbc h ASN 327 Ca 0.35 -0.11 -0.08 0.00 -0.55 0.00 0.00 56.30 55.91 3kbc h ASN 327 Cb 0.59 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 3kbc h ASN 327 CO -0.84 0.60 -0.29 0.00 -1.65 0.00 0.00 177.43 175.26 3kbc h ALA 328 N 1.43 1.25 0.00 -0.83 0.00 0.82 -2.84 119.26 119.09 3kbc h ALA 328 Ca 0.05 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 3kbc h ALA 328 Cb 0.59 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3kbc h ALA 328 CO 0.04 0.50 -0.41 -0.07 0.00 0.00 0.00 179.25 179.31 3kbc h LEU 329 N 0.24 0.00 0.00 0.00 4.07 -1.12 -2.07 115.31 116.43 3kbc h LEU 329 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 3kbc h LEU 329 Cb 0.64 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.38 3kbc h LEU 329 CO 0.05 0.13 0.00 0.61 -1.08 0.00 0.00 178.44 178.15 3kbc n GLY 330 N 1.16 0.89 3.83 0.83 0.00 -0.95 -4.57 105.19 106.38 3kbc n GLY 330 Ca 0.02 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 3kbc n GLY 330 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kbc s SER 331 N -2.12 6.04 -0.28 1.61 0.15 -0.74 -5.02 113.70 113.33 3kbc s SER 331 Ca 0.00 0.32 -0.10 0.00 0.70 0.00 0.00 55.95 56.87 3kbc s SER 331 Cb 0.00 -1.86 -0.03 0.00 -1.71 0.00 0.00 66.02 62.42 3kbc s SER 331 CO 0.00 0.34 0.15 -1.00 1.20 0.00 0.00 173.24 173.94 3kbc s HIS 332 N -1.10 3.17 0.00 3.44 3.76 -1.26 -4.11 115.29 119.20 3kbc s HIS 332 Ca 0.19 -0.19 -0.30 0.00 -0.15 0.00 0.00 55.06 54.60 3kbc s HIS 332 Cb -0.12 -2.35 -0.07 0.00 1.11 0.00 0.00 32.58 31.16 3kbc s HIS 332 CO 0.09 -0.29 1.67 -0.51 -0.85 0.00 0.00 174.74 174.85 3kbc s LEU 333 N 1.69 4.35 -0.13 0.89 1.02 -1.26 -4.95 118.68 120.29 3kbc s LEU 333 Ca 0.06 2.37 -0.29 0.00 0.02 0.00 0.00 54.13 56.29 3kbc s LEU 333 Cb -0.16 -3.55 -0.01 0.00 0.02 0.00 0.00 46.19 42.49 3kbc s LEU 333 CO 0.08 -0.91 1.12 0.28 0.02 0.00 0.00 176.35 176.94 3kbc s THR 334 N 3.47 4.51 -0.08 5.49 -1.32 -1.26 -4.78 115.64 121.67 3kbc s THR 334 Ca 0.75 1.81 -0.37 0.00 -1.21 0.00 0.00 61.69 62.67 3kbc s THR 334 Cb -0.37 -4.17 -0.15 0.00 -1.51 0.00 0.00 72.50 66.31 3kbc s THR 334 CO 0.32 -0.07 1.63 0.55 -2.21 0.00 0.00 174.62 174.84 3kbc n VAL 335 N 4.90 0.23 0.00 5.08 3.14 -1.26 0.12 118.33 130.53 3kbc n VAL 335 Ca 0.11 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 3kbc n VAL 335 Cb 0.47 -1.26 0.00 0.00 -1.06 0.00 0.00 33.84 31.98 3kbc n VAL 335 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kbc n GLY 336 N 3.64 4.23 0.05 7.55 0.00 -1.26 -4.67 105.19 114.73 3kbc n GLY 336 Ca 0.22 -0.83 0.02 0.00 0.00 0.00 0.00 46.02 45.43 3kbc n GLY 336 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kbc n GLN 337 N 0.00 0.67 0.12 1.61 10.64 0.12 -2.87 117.38 127.67 3kbc n GLN 337 Ca 0.00 -0.11 -0.02 0.00 -1.83 0.00 0.00 57.00 55.04 3kbc n GLN 337 Cb 0.00 -1.53 0.14 0.00 -0.86 0.00 0.00 30.24 27.99 3kbc n GLN 337 CO 0.00 0.00 0.00 0.37 -1.83 0.00 0.00 177.06 175.60 3kbc h GLN 338 N 0.00 0.06 -0.00 2.61 4.15 -1.54 -1.74 115.11 118.65 3kbc h GLN 338 Ca -0.22 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.16 3kbc h GLN 338 Cb 1.51 0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.20 3kbc h GLN 338 CO 0.01 0.67 -0.48 1.47 -1.93 0.00 0.00 178.83 178.58 3kbc n LEU 339 N -3.80 0.60 0.10 -2.39 -0.00 -1.25 -3.28 117.00 106.98 3kbc n LEU 339 Ca -0.01 -0.06 -0.04 0.00 -0.00 0.00 0.00 56.01 55.90 3kbc n LEU 339 Cb 0.63 -0.22 0.02 0.00 -0.00 0.00 0.00 43.42 43.85 3kbc n LEU 339 CO 0.43 0.14 0.31 0.74 -0.00 0.00 0.00 177.39 179.01 3kbc h THR 340 N 0.19 1.57 -0.35 1.47 2.02 -1.20 -2.67 112.91 113.94 3kbc h THR 340 Ca 0.00 -2.79 -0.05 0.00 0.77 0.00 0.00 66.41 64.34 3kbc h THR 340 Cb 0.50 2.51 -0.01 0.00 -1.74 0.00 0.00 68.15 69.41 3kbc h THR 340 CO 0.00 0.80 0.02 0.40 0.37 0.00 0.00 175.52 177.11 3kbc h ILE 341 N 0.00 1.25 0.14 3.11 2.04 -1.36 0.35 117.51 123.04 3kbc h ILE 341 Ca -0.01 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 3kbc h ILE 341 Cb 1.45 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 3kbc h ILE 341 CO 0.11 0.31 -0.07 1.62 0.00 0.00 0.00 178.15 180.12 3kbc h VAL 342 N 0.43 0.87 -0.97 1.67 3.04 -1.65 1.37 116.25 121.01 3kbc h VAL 342 Ca 0.10 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.79 3kbc h VAL 342 Cb 0.42 0.87 -0.05 0.00 -2.01 0.00 0.00 31.29 30.52 3kbc h VAL 342 CO 0.01 0.00 0.61 0.25 -1.01 0.00 0.00 177.57 177.44 3kbc h LEU 343 N -0.19 1.14 0.05 3.16 7.12 -1.33 -2.92 115.31 122.34 3kbc h LEU 343 Ca -0.02 -0.05 -0.00 0.00 0.13 0.00 0.00 57.88 57.94 3kbc h LEU 343 Cb 0.15 -0.29 0.00 0.00 -0.53 0.00 0.00 40.66 39.99 3kbc h LEU 343 CO 0.03 0.85 -0.02 0.74 -0.13 0.00 0.00 178.44 179.91 3kbc h THR 344 N 1.32 1.31 -1.12 1.05 2.02 0.13 -3.29 112.91 114.34 3kbc h THR 344 Ca 0.35 -1.54 0.31 0.00 0.77 0.00 0.00 66.41 66.31 3kbc h THR 344 Cb -0.10 2.28 -0.09 0.00 -1.74 0.00 0.00 68.15 68.49 3kbc h THR 344 CO -0.07 0.37 0.74 0.00 0.37 0.00 0.00 175.52 176.93 3kbc h ALA 345 N 0.04 2.48 0.11 6.16 0.00 0.18 0.74 119.26 128.98 3kbc h ALA 345 Ca -0.01 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3kbc h ALA 345 Cb 0.65 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3kbc h ALA 345 CO 0.01 -0.92 -0.05 0.28 0.00 0.00 0.00 179.25 178.57 3kbc h VAL 346 N 0.27 1.05 -0.45 0.00 2.07 -1.59 0.33 116.25 117.93 3kbc h VAL 346 Ca 0.63 -0.64 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 3kbc h VAL 346 Cb 1.85 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 33.06 3kbc h VAL 346 CO -0.27 0.15 -0.04 -0.07 0.02 0.00 0.00 177.57 177.37 3kbc h LEU 347 N -0.44 0.73 -1.32 2.57 4.07 -1.09 0.60 115.31 120.42 3kbc h LEU 347 Ca -0.01 -0.19 -0.04 0.00 0.08 0.00 0.00 57.88 57.72 3kbc h LEU 347 Cb 0.36 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.89 3kbc h LEU 347 CO 0.02 0.82 0.02 0.00 -1.08 0.00 0.00 178.44 178.22 3kbc h ALA 348 N 1.26 1.45 0.07 1.53 0.00 0.62 -0.75 119.26 123.43 3kbc h ALA 348 Ca 0.13 -0.17 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 3kbc h ALA 348 Cb 0.48 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kbc h ALA 348 CO 0.02 0.39 -1.09 0.66 0.00 0.00 0.00 179.25 179.24 3kbc h SER 349 N 0.46 0.37 0.48 0.00 4.64 0.41 -2.36 113.55 117.53 3kbc h SER 349 Ca 0.10 -0.35 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3kbc h SER 349 Cb 0.27 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3kbc h SER 349 CO 0.01 1.22 0.00 -0.38 -0.87 0.00 0.00 176.83 176.81 3kbc n ILE 350 N -3.58 0.64 -0.06 0.95 5.41 0.13 -2.00 119.36 120.84 3kbc n ILE 350 Ca -0.06 0.16 -0.13 0.00 1.00 0.00 0.00 62.75 63.71 3kbc n ILE 350 Cb 0.93 -0.86 -0.14 0.00 -0.71 0.00 0.00 39.64 38.86 3kbc n ILE 350 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3kbc n GLY 351 N 0.28 -0.79 3.52 7.39 0.00 -0.35 -4.78 105.19 110.45 3kbc n GLY 351 Ca 0.06 -0.20 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 3kbc n GLY 351 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kbc n THR 352 N -3.09 1.98 0.22 2.61 -1.04 -0.85 -4.89 114.28 109.22 3kbc n THR 352 Ca -0.30 -0.50 0.12 0.00 -2.04 0.00 0.00 64.05 61.33 3kbc n THR 352 Cb 1.07 -0.71 0.15 0.00 -1.82 0.00 0.00 70.33 69.02 3kbc n THR 352 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kbc h ALA 353 N 1.46 0.91 -2.26 2.41 0.00 -1.88 -3.46 119.26 116.43 3kbc h ALA 353 Ca -0.38 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 3kbc h ALA 353 Cb 1.37 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.18 3kbc h ALA 353 CO 0.57 0.00 -0.08 0.41 0.00 0.00 0.00 179.25 180.15 3kbc n GLY 354 N 1.12 0.42 3.35 0.00 0.00 -1.26 -4.77 105.19 104.04 3kbc n GLY 354 Ca 0.03 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 3kbc n GLY 354 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kbc s VAL 355 N -3.04 0.00 0.04 1.61 1.01 -1.26 -2.57 120.40 116.20 3kbc s VAL 355 Ca 0.01 -1.80 -0.08 0.00 0.00 0.00 0.00 61.98 60.10 3kbc s VAL 355 Cb -0.00 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 3kbc s VAL 355 CO 0.08 0.00 1.11 -2.65 0.00 0.00 0.00 175.10 173.64 3kbc n PRO 356 N -0.39 -0.12 0.00 2.72 -0.01 -1.25 -2.20 135.00 133.75 3kbc n PRO 356 Ca 0.02 1.10 -0.10 0.00 -0.01 0.00 0.00 63.50 64.51 3kbc n PRO 356 Cb 0.64 -1.64 -0.05 0.00 -0.01 0.00 0.00 33.50 32.43 3kbc n PRO 356 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 175.50 176.27 3kbc h GLY 357 N 0.00 0.07 0.00 -1.23 0.00 -1.93 -3.42 103.07 96.57 3kbc h GLY 357 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3kbc h GLY 357 CO -0.26 -0.02 0.00 0.00 0.00 0.00 0.00 176.54 176.26 3kbc n ALA 358 N -2.21 0.00 -0.03 3.60 0.00 -0.94 -2.76 120.51 118.18 3kbc n ALA 358 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3kbc n ALA 358 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 3kbc n ALA 358 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbc n GLY 359 N 0.00 -0.22 0.39 0.00 0.00 -1.26 -1.41 105.19 102.68 3kbc n GLY 359 Ca 0.00 0.04 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 3kbc n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbc h ALA 360 N -0.10 -0.08 -0.74 4.61 0.00 -1.86 -1.25 119.26 119.85 3kbc h ALA 360 Ca 0.00 0.20 0.16 0.00 0.00 0.00 0.00 54.91 55.27 3kbc h ALA 360 Cb 0.00 1.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.71 3kbc h ALA 360 CO 0.00 -0.73 0.20 0.82 0.00 0.00 0.00 179.25 179.55 3kbc h ILE 361 N -0.07 0.54 0.00 0.00 2.04 -1.32 0.21 117.51 118.90 3kbc h ILE 361 Ca 0.27 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 66.02 3kbc h ILE 361 Cb 0.56 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 3kbc h ILE 361 CO -0.87 0.05 0.00 0.23 0.00 0.00 0.00 178.15 177.56 3kbc n MET 362 N -5.13 0.62 -0.05 2.37 2.81 -0.50 -3.00 117.12 114.24 3kbc n MET 362 Ca 0.14 0.02 -0.14 0.00 -1.81 0.00 0.00 57.70 55.92 3kbc n MET 362 Cb 0.46 -1.50 -0.08 0.00 -0.71 0.00 0.00 33.22 31.39 3kbc n MET 362 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 3kbc h LEU 363 N 0.00 0.40 -1.16 4.03 5.85 -0.29 -2.84 115.31 121.30 3kbc h LEU 363 Ca 0.00 -0.53 0.25 0.00 0.84 0.00 0.00 57.88 58.44 3kbc h LEU 363 Cb 0.06 -0.12 -0.11 0.00 0.37 0.00 0.00 40.66 40.87 3kbc h LEU 363 CO 0.00 0.86 0.63 0.00 -0.34 0.00 0.00 178.44 179.59 3kbc h MET 365 N 0.51 0.67 0.00 0.00 1.85 -1.68 0.22 114.93 116.51 3kbc h MET 365 Ca 0.62 -0.04 -0.01 0.00 -0.61 0.00 0.00 59.70 59.66 3kbc h MET 365 Cb 1.33 -0.15 -0.00 0.00 0.43 0.00 0.00 31.60 33.21 3kbc h MET 365 CO -0.39 0.45 -0.03 -0.24 -0.40 0.00 0.00 176.91 176.29 3kbc h VAL 366 N 0.70 0.06 0.04 -5.77 3.04 0.29 -3.17 116.25 111.44 3kbc h VAL 366 Ca 0.36 -0.92 -0.12 0.00 -1.01 0.00 0.00 66.70 65.01 3kbc h VAL 366 Cb 0.32 1.87 -0.00 0.00 -2.01 0.00 0.00 31.29 31.47 3kbc h VAL 366 CO -0.24 0.03 -0.58 -0.07 -1.01 0.00 0.00 177.57 175.70 3kbc h LEU 367 N 0.00 0.13 -2.00 3.16 3.38 0.75 -3.29 115.31 117.44 3kbc h LEU 367 Ca -0.00 -0.87 0.16 0.00 0.09 0.00 0.00 57.88 57.26 3kbc h LEU 367 Cb 0.87 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 3kbc h LEU 367 CO 0.00 1.25 0.41 0.45 0.09 0.00 0.00 178.44 180.64 3kbc h HIS 368 N -0.81 0.00 -3.13 1.13 3.86 -0.75 -2.12 115.15 113.33 3kbc h HIS 368 Ca -0.14 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.47 3kbc h HIS 368 Cb 1.27 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.66 3kbc h HIS 368 CO 0.21 0.00 -0.26 -1.54 0.86 0.00 0.00 177.93 177.20 3kbc s SER 369 N -6.15 6.61 0.00 2.45 1.04 -1.20 -3.51 113.70 112.95 3kbc s SER 369 Ca -0.05 0.73 0.00 0.00 0.48 0.00 0.00 55.95 57.11 3kbc s SER 369 Cb 0.20 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 64.10 3kbc s SER 369 CO 0.73 0.20 0.00 0.52 0.98 0.00 0.00 173.24 175.67 3kbc n VAL 370 N 2.78 0.00 -3.60 5.02 0.31 -1.25 -4.66 118.33 116.94 3kbc n VAL 370 Ca -0.13 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 63.99 3kbc n VAL 370 Cb 0.52 -0.01 0.01 0.00 -0.91 0.00 0.00 33.84 33.46 3kbc n VAL 370 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kbc n GLY 371 N -2.20 -1.20 2.40 2.92 0.00 -1.20 -5.00 105.19 100.91 3kbc n GLY 371 Ca 0.00 0.52 -0.14 0.00 0.00 0.00 0.00 46.02 46.40 3kbc n GLY 371 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kbc n LEU 372 N -2.91 -0.35 -4.66 0.99 4.77 -0.80 -4.89 117.00 109.16 3kbc n LEU 372 Ca -0.17 -4.50 -0.46 0.00 -0.03 0.00 0.00 56.01 50.84 3kbc n LEU 372 Cb 0.61 0.79 -0.04 0.00 -2.33 0.00 0.00 43.42 42.45 3kbc n LEU 372 CO 0.62 2.20 1.09 -2.65 -1.33 0.00 0.00 177.39 177.32 3kbc n PRO 373 N 0.30 1.95 0.00 3.23 -0.02 -1.26 -4.48 135.00 134.72 3kbc n PRO 373 Ca 0.18 0.70 0.08 0.00 -2.02 0.00 0.00 63.50 62.44 3kbc n PRO 373 Cb 0.68 -2.41 0.39 0.00 -0.02 0.00 0.00 33.50 32.13 3kbc n PRO 373 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3kbc n LEU 374 N 2.90 0.00 0.00 2.45 4.32 -1.26 -1.80 117.00 123.61 3kbc n LEU 374 Ca 0.16 0.37 0.10 0.00 -0.02 0.00 0.00 56.01 56.61 3kbc n LEU 374 Cb 0.28 -0.37 0.56 0.00 -1.62 0.00 0.00 43.42 42.26 3kbc n LEU 374 CO 0.63 -0.17 0.76 0.35 -1.22 0.00 0.00 177.39 177.75 3kbc n THR 375 N -1.37 0.04 -3.76 -5.08 -2.24 -1.26 -4.04 114.28 96.57 3kbc n THR 375 Ca 0.06 0.01 -0.36 0.00 -2.27 0.00 0.00 64.05 61.49 3kbc n THR 375 Cb 0.16 -0.71 -0.10 0.00 -2.10 0.00 0.00 70.33 67.57 3kbc n THR 375 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kbc s ASP 376 N -2.05 5.80 0.15 3.42 -1.08 -0.74 -5.01 116.67 117.15 3kbc s ASP 376 Ca 0.28 0.03 -0.20 0.00 -0.52 0.00 0.00 52.55 52.14 3kbc s ASP 376 Cb 0.13 -2.04 0.04 0.00 -1.46 0.00 0.00 42.92 39.60 3kbc s ASP 376 CO 0.23 0.07 1.19 -2.65 0.52 0.00 0.00 175.17 174.52 3kbc n PRO 377 N 4.27 -0.28 0.41 4.34 -0.02 -1.26 -0.28 135.00 142.18 3kbc n PRO 377 Ca -0.16 1.17 -0.18 0.00 -2.02 0.00 0.00 63.50 62.32 3kbc n PRO 377 Cb 0.52 -1.73 -0.09 0.00 -0.02 0.00 0.00 33.50 32.18 3kbc n PRO 377 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3kbc h ASN 378 N 0.00 -0.87 -0.37 2.55 2.35 -1.94 0.36 115.58 117.66 3kbc h ASN 378 Ca 0.18 0.01 0.08 0.00 -0.55 0.00 0.00 56.30 56.03 3kbc h ASN 378 Cb 0.37 0.22 -0.08 0.00 0.05 0.00 0.00 38.32 38.89 3kbc h ASN 378 CO -0.74 -0.57 -0.18 0.58 -1.65 0.00 0.00 177.43 174.86 3kbc h VAL 379 N -1.11 0.45 0.00 2.81 2.07 -1.67 0.34 116.25 119.13 3kbc h VAL 379 Ca -0.10 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 3kbc h VAL 379 Cb 0.80 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3kbc h VAL 379 CO 0.17 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.73 3kbc h ALA 380 N 1.14 1.74 -0.14 1.67 0.00 -0.62 0.21 119.26 123.26 3kbc h ALA 380 Ca 0.18 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.84 3kbc h ALA 380 Cb 0.41 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.20 3kbc h ALA 380 CO -0.45 0.05 -0.78 0.00 0.00 0.00 0.00 179.25 178.07 3kbc h ALA 381 N 1.96 0.34 0.22 0.00 0.00 0.18 -2.50 119.26 119.45 3kbc h ALA 381 Ca -0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 3kbc h ALA 381 Cb 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3kbc h ALA 381 CO 0.00 0.69 -0.10 0.00 0.00 0.00 0.00 179.25 179.84 3kbc h ALA 382 N 0.59 -0.29 -0.92 0.00 0.00 0.36 -3.23 119.26 115.78 3kbc h ALA 382 Ca -0.05 -0.20 0.26 0.00 0.00 0.00 0.00 54.91 54.92 3kbc h ALA 382 Cb 1.41 0.11 -0.15 0.00 0.00 0.00 0.00 17.79 19.16 3kbc h ALA 382 CO 0.16 -0.35 0.28 -0.92 0.00 0.00 0.00 179.25 178.41 3kbc h TYR 383 N -0.92 0.41 0.00 0.00 3.20 -0.72 0.83 116.97 119.78 3kbc h TYR 383 Ca -0.03 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3kbc h TYR 383 Cb 0.49 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.73 3kbc h TYR 383 CO 0.06 -0.25 0.05 0.00 -1.64 0.00 0.00 178.16 176.39 3kbc h ALA 384 N 1.83 1.04 0.00 1.82 0.00 -1.46 -0.51 119.26 121.99 3kbc h ALA 384 Ca 0.60 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.46 3kbc h ALA 384 Cb 1.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3kbc h ALA 384 CO -0.69 -0.04 -0.37 0.52 0.00 0.00 0.00 179.25 178.67 3kbc h MET 385 N 0.00 0.00 -0.60 0.00 2.86 0.63 -3.21 114.93 114.61 3kbc h MET 385 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 3kbc h MET 385 Cb 0.11 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 3kbc h MET 385 CO 0.00 0.63 0.22 0.82 1.06 0.00 0.00 176.91 179.65 3kbc h ILE 386 N -1.00 1.22 0.00 -1.22 2.04 -1.42 -0.26 117.51 116.87 3kbc h ILE 386 Ca -0.08 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 3kbc h ILE 386 Cb 0.77 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 3kbc h ILE 386 CO -0.05 0.28 -0.01 0.25 0.00 0.00 0.00 178.15 178.62 3kbc h LEU 387 N 0.86 0.00 0.00 1.44 5.85 -1.25 -0.59 115.31 121.63 3kbc h LEU 387 Ca 0.20 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.71 3kbc h LEU 387 Cb 0.20 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3kbc h LEU 387 CO -0.02 0.01 -1.07 1.23 -0.34 0.00 0.00 178.44 178.25 3kbc h GLY 388 N 0.69 0.00 -1.81 3.75 0.00 -1.04 -3.29 103.07 101.36 3kbc h GLY 388 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kbc h GLY 388 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.83 3kbc n ILE 389 N -3.28 2.01 0.12 2.60 -5.35 -0.76 -4.68 119.36 110.02 3kbc n ILE 389 Ca -0.03 -1.59 -0.13 0.00 -0.27 0.00 0.00 62.75 60.73 3kbc n ILE 389 Cb 0.93 -0.06 -0.06 0.00 -1.74 0.00 0.00 39.64 38.72 3kbc n ILE 389 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 3kbc h ASP 390 N 2.23 -0.89 -0.89 7.28 -0.00 -1.21 -2.80 116.42 120.15 3kbc h ASP 390 Ca 0.00 0.10 0.15 0.00 -0.00 0.00 0.00 57.03 57.28 3kbc h ASP 390 Cb 1.33 0.33 -0.15 0.00 -0.00 0.00 0.00 39.33 40.85 3kbc h ASP 390 CO 0.20 -0.40 -0.31 0.00 -0.00 0.00 0.00 179.24 178.73 3kbc n ALA 391 N -2.68 -0.01 0.07 -0.78 0.00 -1.26 0.17 120.51 116.02 3kbc n ALA 391 Ca -0.07 0.91 -0.11 0.00 0.00 0.00 0.00 53.44 54.17 3kbc n ALA 391 Cb 0.32 -0.46 -0.05 0.00 0.00 0.00 0.00 19.45 19.27 3kbc n ALA 391 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3kbc h ILE 392 N 0.00 0.56 -0.07 0.00 1.08 -1.86 -2.27 117.51 114.95 3kbc h ILE 392 Ca 0.35 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.71 3kbc h ILE 392 Cb 0.57 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 34.87 3kbc h ILE 392 CO -0.89 0.00 -0.42 -0.07 -0.69 0.00 0.00 178.15 176.07 3kbc h LEU 393 N -0.32 0.17 -0.91 1.44 3.38 -0.52 -3.17 115.31 115.39 3kbc h LEU 393 Ca 0.05 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3kbc h LEU 393 Cb 0.37 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 3kbc h LEU 393 CO -0.15 0.58 0.60 -0.78 0.09 0.00 0.00 178.44 178.77 3kbc h ASP 394 N 0.13 1.02 0.81 -0.43 3.58 0.22 -1.75 116.42 120.01 3kbc h ASP 394 Ca 0.01 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.40 3kbc h ASP 394 Cb 0.81 -0.25 0.01 0.00 1.72 0.00 0.00 39.33 41.62 3kbc h ASP 394 CO 0.06 0.72 -0.41 0.24 -2.88 0.00 0.00 179.24 176.98 3kbc h MET 395 N 1.20 -1.07 0.00 0.28 2.86 -1.40 0.97 114.93 117.76 3kbc h MET 395 Ca 0.34 0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 58.05 3kbc h MET 395 Cb -0.09 0.24 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 3kbc h MET 395 CO -0.09 -0.72 -0.01 0.78 1.06 0.00 0.00 176.91 177.93 3kbc h GLY 396 N -1.11 0.00 0.00 8.32 0.00 -1.68 -2.23 103.07 106.37 3kbc h GLY 396 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.22 3kbc h GLY 396 CO 0.17 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.58 3kbc n ARG 397 N -3.37 0.00 -0.26 4.80 0.63 -0.66 -3.24 116.66 114.55 3kbc n ARG 397 Ca -0.03 0.24 0.25 0.00 -0.92 0.00 0.00 57.85 57.39 3kbc n ARG 397 Cb 0.10 -1.07 0.46 0.00 0.45 0.00 0.00 32.46 32.40 3kbc n ARG 397 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 3kbc n THR 398 N -1.21 -0.34 -0.22 5.15 -1.04 0.30 -0.13 114.28 116.78 3kbc n THR 398 Ca 0.00 1.68 -0.06 0.00 -2.04 0.00 0.00 64.05 63.63 3kbc n THR 398 Cb 0.00 -2.70 0.04 0.00 -1.82 0.00 0.00 70.33 65.85 3kbc n THR 398 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 3kbc h MET 399 N 0.00 0.86 -0.30 -2.82 1.85 -1.46 -2.56 114.93 110.49 3kbc h MET 399 Ca 0.68 -0.08 -0.10 0.00 -0.61 0.00 0.00 59.70 59.59 3kbc h MET 399 Cb 1.76 -0.18 -0.01 0.00 0.43 0.00 0.00 31.60 33.60 3kbc h MET 399 CO -0.65 0.62 -0.22 0.28 -0.40 0.00 0.00 176.91 176.55 3kbc h VAL 400 N 0.85 1.26 -0.32 -5.77 2.07 -0.50 -2.12 116.25 111.72 3kbc h VAL 400 Ca 0.23 -1.25 0.06 0.00 0.82 0.00 0.00 66.70 66.56 3kbc h VAL 400 Cb -0.01 1.27 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 3kbc h VAL 400 CO -0.04 0.40 -0.05 0.78 0.02 0.00 0.00 177.57 178.68 3kbc h ASN 401 N 0.51 -0.25 -0.04 0.57 2.35 -1.27 0.54 115.58 117.99 3kbc h ASN 401 Ca 0.08 0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3kbc h ASN 401 Cb 0.66 0.18 -0.00 0.00 0.05 0.00 0.00 38.32 39.20 3kbc h ASN 401 CO 0.05 -0.08 0.01 0.58 -1.65 0.00 0.00 177.43 176.33 3kbc h VAL 402 N 0.03 1.20 -0.34 2.81 2.07 -1.38 -3.08 116.25 117.56 3kbc h VAL 402 Ca 0.16 -0.61 0.07 0.00 0.82 0.00 0.00 66.70 67.14 3kbc h VAL 402 Cb 0.23 1.54 -0.08 0.00 -1.52 0.00 0.00 31.29 31.46 3kbc h VAL 402 CO -0.31 0.16 -0.29 0.74 0.02 0.00 0.00 177.57 177.90 3kbc h THR 403 N -0.17 0.30 -1.00 2.57 2.02 -0.88 -0.08 112.91 115.66 3kbc h THR 403 Ca 0.01 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.42 3kbc h THR 403 Cb 0.26 0.30 -0.09 0.00 -1.74 0.00 0.00 68.15 66.87 3kbc h THR 403 CO 0.00 0.00 0.63 1.23 0.37 0.00 0.00 175.52 177.76 3kbc h GLY 404 N -0.25 1.33 0.73 2.16 0.00 -0.89 0.15 103.07 106.31 3kbc h GLY 404 Ca 0.16 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 3kbc h GLY 404 CO -0.48 -0.10 -0.35 -0.55 0.00 0.00 0.00 176.54 175.06 3kbc h ASP 405 N 0.50 -0.83 -0.17 0.19 5.19 -0.93 -1.75 116.42 118.62 3kbc h ASP 405 Ca 0.57 0.03 0.05 0.00 -0.62 0.00 0.00 57.03 57.05 3kbc h ASP 405 Cb 1.26 0.22 -0.05 0.00 0.18 0.00 0.00 39.33 40.94 3kbc h ASP 405 CO -0.30 -0.56 -0.15 -0.07 -3.12 0.00 0.00 179.24 175.03 3kbc h LEU 406 N -1.05 -0.47 -1.09 1.55 3.38 -1.01 0.16 115.31 116.79 3kbc h LEU 406 Ca -0.10 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kbc h LEU 406 Cb 0.75 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.74 3kbc h LEU 406 CO 0.17 -0.19 0.18 0.41 0.09 0.00 0.00 178.44 179.09 3kbc n THR 407 N -5.30 0.80 -0.11 0.22 -1.04 0.48 -0.16 114.28 109.17 3kbc n THR 407 Ca -0.02 0.74 -0.19 0.00 -2.04 0.00 0.00 64.05 62.54 3kbc n THR 407 Cb 0.21 -1.74 -0.12 0.00 -1.82 0.00 0.00 70.33 66.87 3kbc n THR 407 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kbc n GLY 408 N -1.29 -0.39 0.13 3.41 0.00 0.16 -3.86 105.19 103.34 3kbc n GLY 408 Ca -0.01 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 3kbc n GLY 408 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kbc h THR 409 N -0.04 1.13 -0.67 2.61 2.02 0.14 -0.67 112.91 117.43 3kbc h THR 409 Ca -0.56 -0.35 0.04 0.00 0.77 0.00 0.00 66.41 66.31 3kbc h THR 409 Cb 1.90 0.93 -0.05 0.00 -1.74 0.00 0.00 68.15 69.19 3kbc h THR 409 CO -0.08 0.12 0.40 0.00 0.37 0.00 0.00 175.52 176.34 3kbc h ALA 410 N 1.00 0.88 -0.11 6.16 0.00 -0.76 -1.78 119.26 124.64 3kbc h ALA 410 Ca 0.08 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 3kbc h ALA 410 Cb 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3kbc h ALA 410 CO -0.01 0.14 -0.55 0.82 0.00 0.00 0.00 179.25 179.65 3kbc h ILE 411 N 0.78 1.35 -0.02 0.00 5.03 -1.62 -2.84 117.51 120.19 3kbc h ILE 411 Ca 0.28 -1.84 -0.12 0.00 -0.12 0.00 0.00 64.86 63.06 3kbc h ILE 411 Cb 0.07 1.87 -0.02 0.00 -3.03 0.00 0.00 36.82 35.71 3kbc h ILE 411 CO -0.13 0.55 -0.54 1.62 -0.68 0.00 0.00 178.15 178.97 3kbc h VAL 412 N 0.26 1.38 -0.30 1.67 3.04 -0.76 -2.92 116.25 118.62 3kbc h VAL 412 Ca 0.00 -1.85 -0.07 0.00 -1.01 0.00 0.00 66.70 63.78 3kbc h VAL 412 Cb 1.05 1.98 -0.01 0.00 -2.01 0.00 0.00 31.29 32.30 3kbc h VAL 412 CO 0.09 0.53 -0.07 0.00 -1.01 0.00 0.00 177.57 177.12 3kbc h ALA 413 N 1.42 0.41 -0.91 3.17 0.00 -1.23 -2.50 119.26 119.63 3kbc h ALA 413 Ca -0.00 -0.28 0.22 0.00 0.00 0.00 0.00 54.91 54.84 3kbc h ALA 413 Cb 0.97 -0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.53 3kbc h ALA 413 CO 0.07 0.23 0.44 -0.22 0.00 0.00 0.00 179.25 179.77 3kbc h LYS 414 N 0.35 0.44 -0.66 0.00 1.63 -1.31 -0.62 116.57 116.39 3kbc h LYS 414 Ca 0.08 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 3kbc h LYS 414 Cb 0.55 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 3kbc h LYS 414 CO 0.03 0.29 0.00 0.25 -3.45 0.00 0.00 179.45 176.57 3kbc n THR 415 N -5.00 1.45 0.24 1.00 -2.24 -1.17 -5.13 114.28 103.42 3kbc n THR 415 Ca 0.23 -1.12 0.03 0.00 -2.27 0.00 0.00 64.05 60.91 3kbc n THR 415 Cb 0.65 0.30 0.02 0.00 -2.10 0.00 0.00 70.33 69.21 3kbc n THR 415 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71