#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uby n PRO 21 N 0.00 -0.39 -0.29 -1.46 -0.04 -1.26 -0.97 135.00 130.59 1uby n PRO 21 Ca 0.00 1.51 0.04 0.00 -0.04 0.00 0.00 63.50 65.02 1uby n PRO 21 Cb 0.00 -2.23 0.19 0.00 -0.04 0.00 0.00 33.50 31.42 1uby n PRO 21 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1uby h VAL 22 N 0.00 0.83 0.03 0.52 2.07 -2.05 -1.13 116.25 116.53 1uby h VAL 22 Ca 0.20 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1uby h VAL 22 Cb 0.45 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1uby h VAL 22 CO -0.95 0.13 -0.01 0.58 0.02 0.00 0.00 177.57 177.34 1uby h VAL 23 N 0.71 0.96 -0.74 2.57 2.07 -1.67 -2.48 116.25 117.68 1uby h VAL 23 Ca 0.42 -1.64 0.12 0.00 0.82 0.00 0.00 66.70 66.42 1uby h VAL 23 Cb 0.48 1.78 -0.13 0.00 -1.52 0.00 0.00 31.29 31.90 1uby h VAL 23 CO -0.29 0.31 -0.37 0.58 0.02 0.00 0.00 177.57 177.83 1uby h VAL 24 N -0.98 0.10 -0.26 2.57 2.07 -1.05 0.24 116.25 118.94 1uby h VAL 24 Ca -0.00 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.38 1uby h VAL 24 Cb 0.54 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1uby h VAL 24 CO 0.01 0.00 -0.41 -0.08 0.02 0.00 0.00 177.57 177.10 1uby h GLU 25 N -0.11 0.63 -0.63 1.57 4.57 -1.33 0.11 114.58 119.40 1uby h GLU 25 Ca 0.27 -0.33 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1uby h GLU 25 Cb 0.57 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.13 1uby h GLU 25 CO -0.79 0.93 0.41 0.00 -1.18 0.00 0.00 179.01 178.38 1uby h ARG 26 N 0.52 0.83 0.40 1.92 3.08 -0.78 0.40 114.38 120.75 1uby h ARG 26 Ca 0.04 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1uby h ARG 26 Cb 0.93 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 1uby h ARG 26 CO 0.08 0.56 -0.31 0.93 -1.07 0.00 0.00 179.97 180.17 1uby h GLU 27 N 0.85 -0.68 -0.69 0.04 5.08 -0.20 -2.70 114.58 116.29 1uby h GLU 27 Ca 0.23 0.05 0.14 0.00 -1.00 0.00 0.00 59.36 58.77 1uby h GLU 27 Cb -0.08 0.15 -0.10 0.00 0.50 0.00 0.00 28.75 29.22 1uby h GLU 27 CO -0.05 -0.45 0.19 0.00 -1.00 0.00 0.00 179.01 177.70 1uby h ARG 28 N -0.70 0.30 -0.65 2.33 3.08 0.19 -2.18 114.38 116.76 1uby h ARG 28 Ca -0.04 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.07 1uby h ARG 28 Cb 0.61 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.55 1uby h ARG 28 CO -0.01 0.20 0.43 0.93 -1.07 0.00 0.00 179.97 180.46 1uby h GLU 29 N 0.31 0.59 -0.16 0.04 5.08 0.07 -2.15 114.58 118.37 1uby h GLU 29 Ca 0.38 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.54 1uby h GLU 29 Cb 0.59 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.71 1uby h GLU 29 CO -0.44 0.39 -0.53 1.49 -1.00 0.00 0.00 179.01 178.92 1uby h GLU 30 N 0.61 0.64 0.65 2.33 4.81 -1.15 -0.93 114.58 121.54 1uby h GLU 30 Ca 0.29 -0.48 -0.03 0.00 -0.13 0.00 0.00 59.36 59.01 1uby h GLU 30 Cb 0.33 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1uby h GLU 30 CO -0.09 1.10 -0.48 0.35 -0.73 0.00 0.00 179.01 179.16 1uby h PHE 31 N 0.31 -1.29 -0.39 0.92 3.57 -1.10 -0.36 116.94 118.60 1uby h PHE 31 Ca -0.02 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.54 1uby h PHE 31 Cb 1.16 0.48 -0.05 0.00 2.79 0.00 0.00 35.95 40.32 1uby h PHE 31 CO 0.10 -0.68 0.06 0.28 -2.23 0.00 0.00 178.31 175.84 1uby h VAL 32 N -1.08 0.78 0.00 1.41 2.07 -1.50 0.23 116.25 118.15 1uby h VAL 32 Ca -0.09 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1uby h VAL 32 Cb 0.89 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1uby h VAL 32 CO 0.04 0.03 0.00 0.61 0.02 0.00 0.00 177.57 178.27 1uby n GLY 33 N -1.25 -0.83 0.17 2.17 0.00 -0.36 -2.22 105.19 102.88 1uby n GLY 33 Ca 0.02 0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.17 1uby n GLY 33 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1uby h PHE 34 N 0.00 0.00 -0.64 1.61 3.57 0.13 -3.41 116.94 118.19 1uby h PHE 34 Ca 0.00 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.63 1uby h PHE 34 Cb 0.12 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 38.76 1uby h PHE 34 CO 0.00 0.18 0.11 0.35 -2.23 0.00 0.00 178.31 176.73 1uby h PHE 35 N 0.00 0.17 -0.95 0.41 3.57 -1.45 -2.51 116.94 116.18 1uby h PHE 35 Ca -0.01 0.04 0.13 0.00 3.53 0.00 0.00 57.97 61.65 1uby h PHE 35 Cb 1.15 0.03 -0.09 0.00 2.79 0.00 0.00 35.95 39.83 1uby h PHE 35 CO 0.00 -0.08 0.58 -1.35 -2.23 0.00 0.00 178.31 175.23 1uby h PRO 36 N 0.23 0.86 -0.14 6.41 0.11 -1.82 0.47 132.00 138.12 1uby h PRO 36 Ca 0.34 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 66.44 1uby h PRO 36 Cb 0.55 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 31.42 1uby h PRO 36 CO -0.46 0.57 -0.10 0.37 -0.21 0.00 0.00 178.00 178.17 1uby h GLN 37 N 0.89 -0.11 -0.64 1.05 5.75 -1.74 0.93 115.11 121.24 1uby h GLN 37 Ca 0.48 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.96 1uby h GLN 37 Cb 0.52 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.07 1uby h GLN 37 CO -0.29 -0.07 0.29 0.82 -2.65 0.00 0.00 178.83 176.94 1uby h ILE 38 N -0.11 1.23 0.20 2.39 1.08 -1.01 0.38 117.51 121.67 1uby h ILE 38 Ca 0.09 -0.66 0.01 0.00 -0.39 0.00 0.00 64.86 63.91 1uby h ILE 38 Cb 0.24 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 34.43 1uby h ILE 38 CO -0.21 0.27 -0.30 0.58 -0.69 0.00 0.00 178.15 177.80 1uby h VAL 39 N 0.89 0.36 -0.64 1.67 2.07 0.14 0.58 116.25 121.32 1uby h VAL 39 Ca 0.22 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.84 1uby h VAL 39 Cb 0.15 0.36 -0.08 0.00 -1.52 0.00 0.00 31.29 30.20 1uby h VAL 39 CO -0.02 0.00 0.24 0.03 0.02 0.00 0.00 177.57 177.84 1uby h ARG 40 N -0.58 0.41 -0.34 1.57 3.08 0.19 -1.31 114.38 117.40 1uby h ARG 40 Ca 0.01 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.11 1uby h ARG 40 Cb 0.57 -0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.44 1uby h ARG 40 CO -0.12 0.27 -0.22 -0.44 -1.07 0.00 0.00 179.97 178.38 1uby h ASP 41 N 0.42 -0.74 0.36 7.04 3.32 0.68 0.16 116.42 127.65 1uby h ASP 41 Ca 0.33 0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.47 1uby h ASP 41 Cb 0.41 0.37 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 1uby h ASP 41 CO -0.32 -0.25 -0.28 -0.07 -1.72 0.00 0.00 179.24 176.60 1uby h LEU 42 N -0.18 0.00 0.00 1.55 3.38 0.16 -3.39 115.31 116.84 1uby h LEU 42 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1uby h LEU 42 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1uby h LEU 42 CO -0.45 0.28 -0.61 0.35 0.09 0.00 0.00 178.44 178.10 1uby n THR 43 N -4.03 0.00 -0.27 0.22 -2.24 -0.71 -4.80 114.28 102.46 1uby n THR 43 Ca -0.02 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.66 1uby n THR 43 Cb 0.34 0.13 -0.08 0.00 -2.10 0.00 0.00 70.33 68.62 1uby n THR 43 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1uby h GLU 44 N 0.00 -0.11 0.00 -0.78 4.81 -0.90 0.18 114.58 117.78 1uby h GLU 44 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1uby h GLU 44 Cb 0.11 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1uby h GLU 44 CO 0.00 -0.07 0.00 -0.25 -0.73 0.00 0.00 179.01 177.96 1uby n ASP 45 N -4.88 0.00 0.00 1.04 9.92 -1.26 -3.20 116.55 118.17 1uby n ASP 45 Ca 0.00 0.26 -0.08 0.00 -0.53 0.00 0.00 54.79 54.44 1uby n ASP 45 Cb 0.24 -0.41 -0.13 0.00 -0.64 0.00 0.00 41.12 40.17 1uby n ASP 45 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1uby h GLY 46 N 4.29 0.00 2.00 0.44 0.00 -1.08 -3.38 103.07 105.34 1uby h GLY 46 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1uby h GLY 46 CO 0.00 0.00 -0.03 -2.22 0.00 0.00 0.00 176.54 174.29 1uby h ILE 47 N 0.00 0.74 0.00 2.60 1.08 -0.87 -2.74 117.51 118.32 1uby h ILE 47 Ca -0.20 -0.10 -0.14 0.00 -0.39 0.00 0.00 64.86 64.03 1uby h ILE 47 Cb 1.93 1.06 -0.02 0.00 -3.07 0.00 0.00 36.82 36.72 1uby h ILE 47 CO 0.09 0.02 -1.47 0.61 -0.69 0.00 0.00 178.15 176.71 1uby n GLY 48 N -1.32 -1.21 3.35 5.37 0.00 -1.26 -4.72 105.19 105.40 1uby n GLY 48 Ca -0.03 -0.20 -0.59 0.00 0.00 0.00 0.00 46.02 45.21 1uby n GLY 48 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1uby n HIS 49 N -2.78 1.33 0.19 1.61 -0.00 -1.03 -4.77 115.22 109.77 1uby n HIS 49 Ca -0.09 0.70 0.09 0.00 -0.00 0.00 0.00 57.72 58.42 1uby n HIS 49 Cb 0.78 -2.34 0.48 0.00 -0.00 0.00 0.00 29.99 28.92 1uby n HIS 49 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1uby h PRO 50 N 9.23 0.00 0.00 1.57 0.13 -1.92 0.24 132.00 141.26 1uby h PRO 50 Ca -0.18 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.58 1uby h PRO 50 Cb 1.39 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.46 1uby h PRO 50 CO 1.06 0.00 -2.29 0.39 -0.23 0.00 0.00 178.00 176.93 1uby n GLU 51 N -2.22 0.51 0.00 0.86 1.02 -1.26 -4.71 120.64 114.83 1uby n GLU 51 Ca -0.01 0.20 0.09 0.00 -0.02 0.00 0.00 57.16 57.41 1uby n GLU 51 Cb 0.26 -1.35 0.03 0.00 -0.02 0.00 0.00 31.44 30.35 1uby n GLU 51 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1uby n VAL 52 N -3.83 0.00 -0.37 2.62 0.24 -1.19 -4.65 118.33 111.15 1uby n VAL 52 Ca -0.44 -0.39 0.28 0.00 -2.04 0.00 0.00 64.34 61.75 1uby n VAL 52 Cb 0.85 1.26 0.56 0.00 -1.47 0.00 0.00 33.84 35.04 1uby n VAL 52 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1uby h GLY 53 N 3.59 1.38 1.07 7.63 0.00 -0.63 0.90 103.07 117.01 1uby h GLY 53 Ca 0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 47.33 47.04 1uby h GLY 53 CO 0.00 -0.30 -0.13 -0.55 0.00 0.00 0.00 176.54 175.57 1uby h ASP 54 N 0.26 0.98 -0.27 0.19 5.19 -1.82 -1.38 116.42 119.57 1uby h ASP 54 Ca 0.70 -0.36 -0.03 0.00 -0.62 0.00 0.00 57.03 56.72 1uby h ASP 54 Cb 1.95 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 41.18 1uby h ASP 54 CO -0.39 1.12 0.04 0.00 -3.12 0.00 0.00 179.24 176.89 1uby h ALA 55 N 0.90 0.35 0.00 3.45 0.00 0.35 -2.07 119.26 122.24 1uby h ALA 55 Ca 0.13 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1uby h ALA 55 Cb 0.69 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1uby h ALA 55 CO 0.05 0.04 -0.32 -0.24 0.00 0.00 0.00 179.25 178.78 1uby h VAL 56 N 0.26 0.81 -0.58 0.00 3.04 -0.69 -1.27 116.25 117.81 1uby h VAL 56 Ca 0.08 -1.33 -0.07 0.00 -1.01 0.00 0.00 66.70 64.37 1uby h VAL 56 Cb 0.33 1.82 -0.02 0.00 -2.01 0.00 0.00 31.29 31.41 1uby h VAL 56 CO 0.01 0.31 0.08 0.00 -1.01 0.00 0.00 177.57 176.96 1uby h ALA 57 N 1.68 1.05 -0.25 3.17 0.00 -1.07 -2.10 119.26 121.74 1uby h ALA 57 Ca -0.00 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 1uby h ALA 57 Cb 0.80 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1uby h ALA 57 CO 0.04 0.61 -0.38 -0.09 0.00 0.00 0.00 179.25 179.43 1uby h ARG 58 N 0.89 0.57 -0.93 0.00 2.43 -0.55 -3.00 114.38 113.79 1uby h ARG 58 Ca 0.18 -0.28 0.08 0.00 -0.81 0.00 0.00 59.98 59.15 1uby h ARG 58 Cb 0.41 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.89 1uby h ARG 58 CO 0.01 0.86 0.58 1.25 -1.51 0.00 0.00 179.97 181.16 1uby h LEU 59 N 0.48 0.89 -0.23 3.80 6.46 -0.80 -2.08 115.31 123.83 1uby h LEU 59 Ca 0.05 0.03 0.05 0.00 -0.12 0.00 0.00 57.88 57.88 1uby h LEU 59 Cb 0.87 -0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 40.60 1uby h LEU 59 CO 0.07 0.53 -0.07 0.50 -0.62 0.00 0.00 178.44 178.85 1uby h LYS 60 N 1.00 -0.03 -0.50 1.25 3.64 -1.25 -0.00 116.57 120.69 1uby h LYS 60 Ca 0.43 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.85 1uby h LYS 60 Cb 0.29 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 1uby h LYS 60 CO -0.21 -0.02 0.25 0.93 -2.27 0.00 0.00 179.45 178.13 1uby h GLU 61 N -0.03 0.47 -0.26 1.90 5.08 -1.42 -0.11 114.58 120.22 1uby h GLU 61 Ca 0.11 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.50 1uby h GLU 61 Cb 0.20 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 1uby h GLU 61 CO -0.25 0.31 -0.08 0.28 -1.00 0.00 0.00 179.01 178.27 1uby h VAL 62 N 0.49 0.69 0.27 3.13 2.07 -0.90 1.24 116.25 123.25 1uby h VAL 62 Ca 0.22 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.74 1uby h VAL 62 Cb 0.13 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1uby h VAL 62 CO -0.15 0.00 -0.34 -0.07 0.02 0.00 0.00 177.57 177.03 1uby h LEU 63 N -0.03 -0.93 -1.51 2.57 -0.00 -0.64 -0.59 115.31 114.19 1uby h LEU 63 Ca 0.13 0.09 -0.02 0.00 -0.00 0.00 0.00 57.88 58.08 1uby h LEU 63 Cb 0.23 0.33 -0.02 0.00 -0.00 0.00 0.00 40.66 41.20 1uby h LEU 63 CO -0.29 -0.46 0.08 1.56 -0.00 0.00 0.00 178.44 179.34 1uby h GLN 64 N -0.66 0.41 -0.07 1.13 4.20 -0.24 -0.38 115.11 119.50 1uby h GLN 64 Ca -0.01 -0.05 -0.24 0.00 0.06 0.00 0.00 58.65 58.41 1uby h GLN 64 Cb 0.62 -0.08 0.02 0.00 0.30 0.00 0.00 27.48 28.34 1uby h GLN 64 CO -0.10 0.37 -0.90 -0.92 -0.67 0.00 0.00 178.83 176.61 1uby h TYR 65 N 0.41 1.03 0.00 2.96 3.20 0.20 -3.42 116.97 121.35 1uby h TYR 65 Ca 0.10 -0.51 -0.38 0.00 3.14 0.00 0.00 58.73 61.08 1uby h TYR 65 Cb 0.14 -0.14 -0.07 0.00 1.54 0.00 0.00 36.73 38.21 1uby h TYR 65 CO 0.00 1.35 -2.39 0.09 -1.64 0.00 0.00 178.16 175.57 1uby n ASN 66 N -3.92 1.00 -0.10 -2.11 4.13 -0.27 -4.68 115.26 109.31 1uby n ASN 66 Ca -0.09 -0.04 -0.13 0.00 1.68 0.00 0.00 54.58 56.00 1uby n ASN 66 Cb 0.81 0.26 -0.04 0.00 -1.54 0.00 0.00 39.78 39.27 1uby n ASN 66 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1uby h ALA 67 N 0.52 0.43 -2.30 5.41 0.00 -1.25 -3.45 119.26 118.60 1uby h ALA 67 Ca -0.55 -0.38 -0.49 0.00 0.00 0.00 0.00 54.91 53.49 1uby h ALA 67 Cb 2.08 -0.10 0.04 0.00 0.00 0.00 0.00 17.79 19.81 1uby h ALA 67 CO -0.02 0.40 0.15 -2.14 0.00 0.00 0.00 179.25 177.64 1uby s PRO 68 N -4.44 3.49 0.00 0.00 0.02 -1.26 -4.57 135.00 128.24 1uby s PRO 68 Ca -0.13 0.25 0.00 0.00 0.02 0.00 0.00 61.00 61.14 1uby s PRO 68 Cb 0.09 -2.33 0.00 0.00 0.02 0.00 0.00 34.50 32.28 1uby s PRO 68 CO 0.82 -0.30 0.00 0.41 -0.33 0.00 0.00 177.00 177.60 1uby n GLY 69 N -2.35 0.80 0.00 0.52 0.00 -1.26 -5.00 105.19 97.90 1uby n GLY 69 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1uby n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uby n GLY 70 N -0.86 1.09 0.09 -0.02 0.00 -1.26 -4.98 105.19 99.25 1uby n GLY 70 Ca 0.00 -1.77 -0.06 0.00 0.00 0.00 0.00 46.02 44.20 1uby n GLY 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uby n LYS 71 N 0.00 0.65 -0.89 1.61 4.76 -1.26 -4.98 118.16 118.05 1uby n LYS 71 Ca 0.00 0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 1uby n LYS 71 Cb 0.00 -1.66 0.00 0.00 -1.84 0.00 0.00 35.03 31.53 1uby n LYS 71 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uby n ASN 73 N 0.00 0.56 -0.01 0.00 6.94 -1.26 0.30 115.26 121.79 1uby n ASN 73 Ca 0.00 0.70 -0.03 0.00 -0.02 0.00 0.00 54.58 55.22 1uby n ASN 73 Cb 0.00 -0.79 -0.02 0.00 -2.36 0.00 0.00 39.78 36.61 1uby n ASN 73 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 1uby h ARG 74 N 0.00 -0.09 -0.70 -3.83 3.08 -1.90 -2.67 114.38 108.27 1uby h ARG 74 Ca 0.00 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.15 1uby h ARG 74 Cb 0.18 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.18 1uby h ARG 74 CO 0.00 0.05 0.34 0.78 -1.07 0.00 0.00 179.97 180.07 1uby h GLY 75 N -1.02 1.04 0.88 0.04 0.00 -1.59 -1.50 103.07 100.92 1uby h GLY 75 Ca -0.01 -0.22 0.11 0.00 0.00 0.00 0.00 47.33 47.21 1uby h GLY 75 CO 0.02 0.06 0.47 1.41 0.00 0.00 0.00 176.54 178.50 1uby h LEU 76 N 0.59 0.50 -1.02 3.11 3.38 -0.21 -2.43 115.31 119.23 1uby h LEU 76 Ca 0.34 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.45 1uby h LEU 76 Cb 0.35 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.93 1uby h LEU 76 CO -0.26 0.29 0.63 0.74 0.09 0.00 0.00 178.44 179.92 1uby h THR 77 N 0.55 0.91 0.01 0.22 2.02 -0.90 -0.97 112.91 114.75 1uby h THR 77 Ca 0.33 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1uby h THR 77 Cb 0.57 -0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.82 1uby h THR 77 CO -0.11 0.18 -0.02 0.58 0.37 0.00 0.00 175.52 176.52 1uby h VAL 78 N 0.98 0.95 0.32 3.16 2.07 -1.51 -0.75 116.25 121.47 1uby h VAL 78 Ca 0.50 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.02 1uby h VAL 78 Cb 0.51 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1uby h VAL 78 CO -0.26 0.00 -0.39 0.58 0.02 0.00 0.00 177.57 177.51 1uby h VAL 79 N -0.04 0.20 -0.60 2.57 2.07 -1.37 0.11 116.25 119.19 1uby h VAL 79 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 1uby h VAL 79 Cb 0.04 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 1uby h VAL 79 CO -0.01 0.00 0.27 0.00 0.02 0.00 0.00 177.57 177.85 1uby h ALA 80 N -0.34 0.78 -0.71 1.67 0.00 -1.15 -0.74 119.26 118.76 1uby h ALA 80 Ca -0.02 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.80 1uby h ALA 80 Cb 0.70 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1uby h ALA 80 CO -0.11 0.37 0.40 0.00 0.00 0.00 0.00 179.25 179.91 1uby h ALA 81 N 1.11 0.96 -0.30 0.00 0.00 -0.75 0.46 119.26 120.74 1uby h ALA 81 Ca 0.20 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1uby h ALA 81 Cb 0.16 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1uby h ALA 81 CO -0.02 0.09 0.17 -0.92 0.00 0.00 0.00 179.25 178.56 1uby h TYR 82 N 0.74 0.31 -0.34 0.00 3.20 -0.40 0.67 116.97 121.15 1uby h TYR 82 Ca 0.32 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.28 1uby h TYR 82 Cb 0.20 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1uby h TYR 82 CO -0.07 0.18 0.24 -0.09 -1.64 0.00 0.00 178.16 176.78 1uby h ARG 83 N 0.34 0.10 0.00 1.82 2.43 0.30 0.25 114.38 119.63 1uby h ARG 83 Ca 0.12 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1uby h ARG 83 Cb 0.01 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1uby h ARG 83 CO -0.07 0.07 -0.62 -1.91 -1.51 0.00 0.00 179.97 175.93 1uby n GLU 84 N -4.46 0.01 -0.08 0.20 4.07 0.21 -4.37 120.64 116.21 1uby n GLU 84 Ca 0.05 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 57.06 1uby n GLU 84 Cb 0.35 -1.50 -0.11 0.00 -0.06 0.00 0.00 31.44 30.11 1uby n GLU 84 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1uby n LEU 85 N -1.51 0.71 -4.62 4.31 4.77 0.39 -4.99 117.00 116.06 1uby n LEU 85 Ca 0.05 -0.03 -0.29 0.00 -0.03 0.00 0.00 56.01 55.71 1uby n LEU 85 Cb 0.34 0.12 0.19 0.00 -2.33 0.00 0.00 43.42 41.74 1uby n LEU 85 CO 0.37 0.49 0.61 -0.94 -1.33 0.00 0.00 177.39 176.59 1uby s SER 86 N -5.13 2.33 0.45 -1.43 1.04 0.62 -5.01 113.70 106.57 1uby s SER 86 Ca -0.12 1.58 0.07 0.00 0.48 0.00 0.00 55.95 57.95 1uby s SER 86 Cb 0.05 -2.24 -0.02 0.00 0.10 0.00 0.00 66.02 63.91 1uby s SER 86 CO 0.59 -3.37 0.29 -0.83 0.98 0.00 0.00 173.24 170.90 1uby s GLY 87 N -2.97 2.32 0.47 7.32 0.00 -1.26 -4.98 107.32 108.22 1uby s GLY 87 Ca 0.66 -1.76 0.24 0.00 0.00 0.00 0.00 44.72 43.87 1uby s GLY 87 CO 0.60 -1.87 1.85 -2.55 0.00 0.00 0.00 173.10 171.13 1uby h PRO 88 N 1.13 0.21 0.00 2.90 0.11 -2.01 -0.52 132.00 133.82 1uby h PRO 88 Ca -0.41 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.63 1uby h PRO 88 Cb 1.27 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1uby h PRO 88 CO 0.63 0.14 -0.26 0.78 -0.21 0.00 0.00 178.00 179.08 1uby h GLY 89 N 0.22 0.00 -3.61 -0.55 0.00 -2.04 -3.29 103.07 93.80 1uby h GLY 89 Ca 0.48 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 47.30 1uby h GLY 89 CO -0.12 0.00 0.47 -1.06 0.00 0.00 0.00 176.54 175.84 1uby n GLN 90 N -4.12 2.41 -0.56 4.80 3.00 -0.20 -4.50 117.38 118.20 1uby n GLN 90 Ca -0.02 -3.22 0.04 0.00 -0.01 0.00 0.00 57.00 53.79 1uby n GLN 90 Cb 0.32 -2.15 0.23 0.00 0.00 0.00 0.00 30.24 28.64 1uby n GLN 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1uby n LYS 91 N -1.04 2.47 -1.07 -1.09 5.02 -1.24 -4.76 118.16 116.44 1uby n LYS 91 Ca 0.55 -2.95 -0.29 0.00 -2.02 0.00 0.00 58.31 53.60 1uby n LYS 91 Cb 1.19 -1.83 0.16 0.00 -0.02 0.00 0.00 35.03 34.54 1uby n LYS 91 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1uby s ASP 92 N -2.17 2.93 0.25 4.39 -4.77 -1.26 -4.70 116.67 111.35 1uby s ASP 92 Ca 0.43 1.49 -0.05 0.00 -3.30 0.00 0.00 52.55 51.12 1uby s ASP 92 Cb 0.36 -2.16 0.30 0.00 -1.09 0.00 0.00 42.92 40.33 1uby s ASP 92 CO 0.06 -2.98 1.92 0.00 0.70 0.00 0.00 175.17 174.86 1uby h ALA 93 N -1.79 1.31 0.10 2.11 0.00 -1.98 0.35 119.26 119.37 1uby h ALA 93 Ca -0.52 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 1uby h ALA 93 Cb 1.30 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1uby h ALA 93 CO 0.53 0.60 -0.05 0.93 0.00 0.00 0.00 179.25 181.27 1uby h GLU 94 N 1.31 -0.13 -0.73 0.00 4.39 -1.99 0.46 114.58 117.89 1uby h GLU 94 Ca 0.39 0.01 0.04 0.00 0.34 0.00 0.00 59.36 60.14 1uby h GLU 94 Cb -0.06 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.57 1uby h GLU 94 CO -0.11 0.09 0.44 0.77 -1.16 0.00 0.00 179.01 179.05 1uby h SER 95 N -0.34 0.71 -0.30 1.42 0.02 -1.73 -1.91 113.55 111.42 1uby h SER 95 Ca -0.01 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1uby h SER 95 Cb 0.28 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1uby h SER 95 CO 0.02 0.47 0.13 -0.07 -1.14 0.00 0.00 176.83 176.24 1uby h LEU 96 N 0.84 0.40 -1.00 5.07 3.38 0.02 -2.34 115.31 121.68 1uby h LEU 96 Ca 0.31 -0.15 0.15 0.00 0.09 0.00 0.00 57.88 58.27 1uby h LEU 96 Cb 0.09 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.65 1uby h LEU 96 CO -0.14 0.44 0.62 0.03 0.09 0.00 0.00 178.44 179.48 1uby h ARG 97 N 0.33 0.88 -0.60 1.13 3.08 -0.28 -1.50 114.38 117.43 1uby h ARG 97 Ca 0.10 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 1uby h ARG 97 Cb 0.16 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 1uby h ARG 97 CO -0.01 0.58 0.24 0.00 -1.07 0.00 0.00 179.97 179.71 1uby h ALA 99 N 1.09 0.39 0.62 0.00 0.00 -0.98 1.74 119.26 122.12 1uby h ALA 99 Ca 0.20 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1uby h ALA 99 Cb 0.20 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1uby h ALA 99 CO -0.02 -0.32 -0.30 -0.07 0.00 0.00 0.00 179.25 178.54 1uby h LEU 100 N 0.21 -0.72 -0.29 0.00 3.38 -0.65 0.85 115.31 118.09 1uby h LEU 100 Ca 0.17 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.22 1uby h LEU 100 Cb 0.18 0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.04 1uby h LEU 100 CO -0.21 -0.51 -0.48 0.00 0.09 0.00 0.00 178.44 177.33 1uby h ALA 101 N -0.46 -0.63 -0.18 1.53 0.00 0.16 0.22 119.26 119.90 1uby h ALA 101 Ca -0.09 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1uby h ALA 101 Cb 0.65 0.94 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1uby h ALA 101 CO 0.14 -0.96 0.21 0.28 0.00 0.00 0.00 179.25 178.91 1uby h VAL 102 N -0.43 0.45 -0.20 0.00 2.07 0.30 -1.36 116.25 117.08 1uby h VAL 102 Ca 0.09 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.56 1uby h VAL 102 Cb 0.62 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1uby h VAL 102 CO -0.51 0.00 -0.06 1.23 0.02 0.00 0.00 177.57 178.25 1uby h GLY 103 N 0.00 0.43 2.00 2.17 0.00 0.19 -2.80 103.07 105.06 1uby h GLY 103 Ca 0.09 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1uby h GLY 103 CO -0.00 0.33 -0.06 1.49 0.00 0.00 0.00 176.54 178.29 1uby h TRP 104 N 0.11 0.00 -0.59 5.60 4.06 0.02 -2.07 115.95 123.08 1uby h TRP 104 Ca 0.05 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.95 1uby h TRP 104 Cb 0.51 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.64 1uby h TRP 104 CO 0.05 0.06 0.18 0.00 -3.56 0.00 0.00 178.44 175.18 1uby h ILE 106 N 0.84 1.26 0.36 0.00 2.04 -1.34 -0.43 117.51 120.25 1uby h ILE 106 Ca 0.19 -1.22 -0.02 0.00 1.00 0.00 0.00 64.86 64.82 1uby h ILE 106 Cb 0.29 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1uby h ILE 106 CO -0.01 0.41 -0.17 -0.33 0.00 0.00 0.00 178.15 178.05 1uby h GLU 107 N 0.70 -0.47 -0.34 2.37 4.39 -1.27 -1.41 114.58 118.55 1uby h GLU 107 Ca 0.11 0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.91 1uby h GLU 107 Cb 0.63 0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 29.32 1uby h GLU 107 CO 0.04 -0.24 -0.07 -0.07 -1.16 0.00 0.00 179.01 177.51 1uby h LEU 108 N -0.60 -0.29 -0.30 1.33 3.38 0.85 -2.30 115.31 117.38 1uby h LEU 108 Ca -0.05 0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1uby h LEU 108 Cb 0.44 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.34 1uby h LEU 108 CO 0.08 -0.10 -0.03 0.15 0.09 0.00 0.00 178.44 178.63 1uby h PHE 109 N 0.02 -0.08 -0.46 1.13 3.57 -0.88 -0.74 116.94 119.50 1uby h PHE 109 Ca 0.17 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1uby h PHE 109 Cb 0.25 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 1uby h PHE 109 CO -0.30 -0.08 0.24 0.37 -2.23 0.00 0.00 178.31 176.30 1uby h GLN 110 N 0.05 0.63 -0.41 1.11 4.15 -1.02 -0.44 115.11 119.18 1uby h GLN 110 Ca 0.14 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.48 1uby h GLN 110 Cb 0.21 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 1uby h GLN 110 CO -0.27 0.48 0.17 0.00 -1.93 0.00 0.00 178.83 177.28 1uby h ALA 111 N 1.63 0.53 -0.39 3.38 0.00 -0.89 0.15 119.26 123.67 1uby h ALA 111 Ca 0.16 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1uby h ALA 111 Cb 0.04 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1uby h ALA 111 CO -0.02 0.11 0.07 0.00 0.00 0.00 0.00 179.25 179.41 1uby h ALA 112 N 1.02 0.41 -0.94 0.00 0.00 0.08 -0.88 119.26 118.95 1uby h ALA 112 Ca 0.14 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1uby h ALA 112 Cb 0.16 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1uby h ALA 112 CO -0.01 -0.33 0.00 0.43 0.00 0.00 0.00 179.25 179.34 1uby n SER 113 N -5.10 0.00 -0.32 0.00 7.64 -0.29 -2.78 113.62 112.76 1uby n SER 113 Ca 0.02 0.84 0.11 0.00 1.01 0.00 0.00 58.87 60.85 1uby n SER 113 Cb 0.18 -0.34 0.24 0.00 -1.01 0.00 0.00 64.21 63.27 1uby n SER 113 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1uby h LEU 114 N 0.00 -0.48 -0.97 -3.43 3.38 -0.69 0.36 115.31 113.48 1uby h LEU 114 Ca 0.00 0.26 0.16 0.00 0.09 0.00 0.00 57.88 58.39 1uby h LEU 114 Cb 0.00 0.46 -0.10 0.00 0.09 0.00 0.00 40.66 41.11 1uby h LEU 114 CO 0.00 -0.30 0.58 0.58 0.09 0.00 0.00 178.44 179.39 1uby h VAL 115 N 0.04 0.77 0.01 1.22 2.07 -0.98 0.89 116.25 120.27 1uby h VAL 115 Ca 0.53 -0.27 -0.26 0.00 0.82 0.00 0.00 66.70 67.52 1uby h VAL 115 Cb 1.03 -0.10 0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1uby h VAL 115 CO -0.86 0.15 -1.02 0.00 0.02 0.00 0.00 177.57 175.85 1uby h ALA 116 N 1.60 0.20 -0.99 1.67 0.00 -0.20 -2.92 119.26 118.62 1uby h ALA 116 Ca 0.53 -0.71 0.18 0.00 0.00 0.00 0.00 54.91 54.91 1uby h ALA 116 Cb 0.73 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.46 1uby h ALA 116 CO -0.35 0.73 0.61 0.22 0.00 0.00 0.00 179.25 180.47 1uby h ASP 117 N 0.33 0.75 -0.61 0.00 3.58 0.81 -2.27 116.42 119.02 1uby h ASP 117 Ca -0.12 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1uby h ASP 117 Cb 1.67 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 42.63 1uby h ASP 117 CO 0.19 0.31 0.39 0.44 -2.88 0.00 0.00 179.24 177.69 1uby h ASP 118 N 0.76 0.71 0.61 2.28 3.32 -0.71 -1.65 116.42 121.73 1uby h ASP 118 Ca 0.54 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.45 1uby h ASP 118 Cb 0.85 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 1uby h ASP 118 CO -0.32 0.53 -0.53 0.40 -1.72 0.00 0.00 179.24 177.60 1uby h ILE 119 N 0.83 1.31 0.00 0.35 2.04 -1.37 -0.71 117.51 119.96 1uby h ILE 119 Ca 0.22 -1.86 0.00 0.00 1.00 0.00 0.00 64.86 64.23 1uby h ILE 119 Cb -0.07 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1uby h ILE 119 CO -0.05 0.52 -0.31 0.23 0.00 0.00 0.00 178.15 178.54 1uby n MET 120 N -3.81 0.09 0.00 2.37 2.81 -1.02 -3.53 117.12 114.03 1uby n MET 120 Ca -0.01 0.04 0.03 0.00 -1.81 0.00 0.00 57.70 55.95 1uby n MET 120 Cb 0.56 -1.57 -0.01 0.00 -0.71 0.00 0.00 33.22 31.49 1uby n MET 120 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1uby n ASP 121 N -1.71 0.84 -3.67 7.83 8.00 -0.65 -4.97 116.55 122.21 1uby n ASP 121 Ca 0.06 -0.92 -0.24 0.00 0.71 0.00 0.00 54.79 54.39 1uby n ASP 121 Cb 0.37 0.61 0.06 0.00 -0.02 0.00 0.00 41.12 42.13 1uby n ASP 121 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uby n GLN 122 N -0.53 -6.76 -1.82 -1.24 1.13 -0.32 -4.96 117.38 102.88 1uby n GLN 122 Ca 0.03 0.74 -0.29 0.00 -1.94 0.00 0.00 57.00 55.54 1uby n GLN 122 Cb 0.14 -5.70 0.10 0.00 0.11 0.00 0.00 30.24 24.89 1uby n GLN 122 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1uby s SER 123 N -3.59 4.36 -0.05 1.08 0.01 -0.92 -5.02 113.70 109.57 1uby s SER 123 Ca 0.45 0.85 0.01 0.00 1.31 0.00 0.00 55.95 58.57 1uby s SER 123 Cb -0.21 -1.37 -0.04 0.00 0.21 0.00 0.00 66.02 64.61 1uby s SER 123 CO 0.77 -2.00 -0.03 0.18 0.41 0.00 0.00 173.24 172.56 1uby n LEU 124 N -3.39 2.16 -4.32 2.44 7.99 -1.26 -4.80 117.00 115.82 1uby n LEU 124 Ca 0.08 -0.02 -0.22 0.00 -0.01 0.00 0.00 56.01 55.84 1uby n LEU 124 Cb 0.60 -0.10 -0.11 0.00 -0.11 0.00 0.00 43.42 43.70 1uby n LEU 124 CO 0.57 0.45 -0.49 -0.89 -1.51 0.00 0.00 177.39 175.52 1uby s THR 125 N -2.10 1.78 -0.25 -5.08 2.01 -1.26 -0.81 115.64 109.92 1uby s THR 125 Ca -0.06 -1.83 -0.13 0.00 0.31 0.00 0.00 61.69 59.98 1uby s THR 125 Cb 0.02 -1.77 0.08 0.00 0.01 0.00 0.00 72.50 70.84 1uby s THR 125 CO 0.13 -0.27 0.60 -0.60 -0.69 0.00 0.00 174.62 173.80 1uby s ARG 126 N -2.60 0.60 -1.50 4.92 6.06 0.11 -4.73 118.95 121.80 1uby s ARG 126 Ca 0.13 1.14 -0.14 0.00 -2.50 0.00 0.00 55.73 54.37 1uby s ARG 126 Cb -0.07 0.21 0.10 0.00 0.06 0.00 0.00 34.95 35.25 1uby s ARG 126 CO 0.06 -0.16 0.75 0.54 -2.50 0.00 0.00 175.30 173.98 1uby n ARG 127 N 4.51 -4.08 -1.72 5.12 1.74 -1.26 -0.82 116.66 120.16 1uby n ARG 127 Ca -0.19 0.50 -0.20 0.00 -0.77 0.00 0.00 57.85 57.18 1uby n ARG 127 Cb 0.56 -5.28 -0.07 0.00 -1.02 0.00 0.00 32.46 26.65 1uby n ARG 127 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uby n GLY 128 N -1.42 1.55 3.43 -0.13 0.00 -1.26 -4.95 105.19 102.42 1uby n GLY 128 Ca 0.03 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 1uby n GLY 128 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1uby s GLN 129 N -3.92 1.62 0.38 1.61 -2.07 -0.00 -5.12 119.66 112.16 1uby s GLN 129 Ca 0.00 -1.90 -0.24 0.00 -1.82 0.00 0.00 55.36 51.39 1uby s GLN 129 Cb 0.00 -0.76 -0.09 0.00 -1.09 0.00 0.00 33.01 31.07 1uby s GLN 129 CO 0.00 -0.22 1.01 -1.17 -1.32 0.00 0.00 175.29 173.60 1uby s LEU 130 N -3.46 4.18 0.42 2.60 2.96 -1.26 0.08 118.68 124.20 1uby s LEU 130 Ca 0.36 1.95 -0.24 0.00 -0.22 0.00 0.00 54.13 55.99 1uby s LEU 130 Cb 0.08 -4.16 -0.11 0.00 0.50 0.00 0.00 46.19 42.50 1uby s LEU 130 CO 0.15 -0.36 0.85 0.00 -1.32 0.00 0.00 176.35 175.67 1uby h TRP 132 N 1.26 1.07 0.00 0.00 2.91 -1.92 -2.49 115.95 116.78 1uby h TRP 132 Ca -0.43 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 59.57 1uby h TRP 132 Cb 1.36 -0.35 -0.00 0.00 -0.51 0.00 0.00 29.16 29.66 1uby h TRP 132 CO 0.41 0.73 -0.07 0.10 -1.03 0.00 0.00 178.44 178.58 1uby h TYR 133 N 1.11 0.00 0.00 2.65 -0.00 -1.87 -2.50 116.97 116.36 1uby h TYR 133 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.01 1uby h TYR 133 Cb -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.72 1uby h TYR 133 CO 0.01 0.07 0.00 1.63 -0.00 0.00 0.00 178.16 179.86 1uby n LYS 134 N -3.51 0.16 -1.97 0.10 4.76 -0.94 -1.96 118.16 114.79 1uby n LYS 134 Ca -0.02 0.16 -0.42 0.00 -2.87 0.00 0.00 58.31 55.16 1uby n LYS 134 Cb 0.19 -1.69 -0.03 0.00 -1.84 0.00 0.00 35.03 31.66 1uby n LYS 134 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1uby s LYS 135 N -3.08 4.23 0.50 1.97 -0.14 -0.94 -4.92 119.74 117.36 1uby s LYS 135 Ca 0.11 2.30 -0.22 0.00 -1.36 0.00 0.00 55.97 56.80 1uby s LYS 135 Cb 0.14 -3.30 -0.07 0.00 -1.68 0.00 0.00 37.83 32.92 1uby s LYS 135 CO 0.54 -0.62 1.12 0.39 -0.76 0.00 0.00 175.35 176.03 1uby n GLU 136 N 4.44 1.40 0.00 1.68 4.71 -1.26 -1.86 120.64 129.75 1uby n GLU 136 Ca 0.14 0.51 0.00 0.00 -0.01 0.00 0.00 57.16 57.80 1uby n GLU 136 Cb 0.40 -2.26 0.00 0.00 -1.01 0.00 0.00 31.44 28.57 1uby n GLU 136 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1uby n GLY 137 N 1.05 3.22 0.00 0.62 0.00 -1.26 -4.88 105.19 103.94 1uby n GLY 137 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1uby n GLY 137 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1uby n VAL 138 N -2.00 0.00 -4.01 1.61 0.31 -0.78 -5.01 118.33 108.45 1uby n VAL 138 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1uby n VAL 138 Cb 0.00 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.64 1uby n VAL 138 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1uby n GLY 139 N 3.08 0.36 0.26 2.92 0.00 -0.83 -3.46 105.19 107.52 1uby n GLY 139 Ca 0.00 -0.93 0.17 0.00 0.00 0.00 0.00 46.02 45.26 1uby n GLY 139 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1uby h LEU 140 N 0.00 0.00 -1.90 0.99 4.07 -1.97 -2.52 115.31 113.98 1uby h LEU 140 Ca 0.00 0.00 0.21 0.00 0.08 0.00 0.00 57.88 58.17 1uby h LEU 140 Cb 0.00 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.70 1uby h LEU 140 CO 0.00 0.00 0.55 0.44 -1.08 0.00 0.00 178.44 178.35 1uby h ASP 141 N 0.00 0.08 -0.04 -0.43 5.19 -1.95 0.50 116.42 119.78 1uby h ASP 141 Ca 0.00 0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.43 1uby h ASP 141 Cb 0.23 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.73 1uby h ASP 141 CO 0.00 0.03 0.12 0.00 -3.12 0.00 0.00 179.24 176.28 1uby h ALA 142 N 1.62 1.29 -0.39 3.45 0.00 -1.69 0.11 119.26 123.65 1uby h ALA 142 Ca 0.37 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.30 1uby h ALA 142 Cb 1.36 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1uby h ALA 142 CO -0.04 -0.14 0.22 0.82 0.00 0.00 0.00 179.25 180.12 1uby h ILE 143 N 0.00 1.03 0.00 0.00 2.04 -0.21 0.42 117.51 120.79 1uby h ILE 143 Ca 0.02 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 1uby h ILE 143 Cb 0.26 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1uby h ILE 143 CO -0.00 0.08 -0.18 -1.13 0.00 0.00 0.00 178.15 176.92 1uby h ASN 144 N 0.45 0.00 -0.29 1.72 -1.24 -1.14 -3.00 115.58 112.09 1uby h ASN 144 Ca 0.16 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 57.03 1uby h ASN 144 Cb 0.01 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.05 1uby h ASN 144 CO -0.08 0.18 -0.30 0.44 -1.29 0.00 0.00 177.43 176.38 1uby h ASP 145 N 0.00 0.84 0.97 1.15 3.32 0.29 -2.13 116.42 120.86 1uby h ASP 145 Ca -0.00 -0.34 -0.08 0.00 0.02 0.00 0.00 57.03 56.62 1uby h ASP 145 Cb 0.65 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1uby h ASP 145 CO 0.02 1.08 -0.40 0.77 -1.72 0.00 0.00 179.24 178.99 1uby h SER 146 N 0.68 0.00 -0.50 6.45 4.64 -0.86 -1.99 113.55 121.98 1uby h SER 146 Ca 0.08 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1uby h SER 146 Cb 0.84 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.91 1uby h SER 146 CO 0.07 0.40 0.26 -0.26 -0.87 0.00 0.00 176.83 176.43 1uby h PHE 147 N 0.00 0.69 0.00 4.77 0.04 -1.30 -1.68 116.94 119.46 1uby h PHE 147 Ca -0.00 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 1uby h PHE 147 Cb 0.99 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.92 1uby h PHE 147 CO 0.00 0.53 -0.06 -0.07 -0.60 0.00 0.00 178.31 178.11 1uby h LEU 148 N 0.66 0.00 0.16 1.54 3.38 -1.13 -0.27 115.31 119.64 1uby h LEU 148 Ca 0.17 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.85 1uby h LEU 148 Cb 0.08 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.84 1uby h LEU 148 CO -0.03 0.06 -1.33 -0.07 0.09 0.00 0.00 178.44 177.16 1uby h LEU 149 N 0.00 0.53 -0.48 1.67 3.38 -0.82 -2.93 115.31 116.66 1uby h LEU 149 Ca -0.00 -0.58 -0.12 0.00 0.09 0.00 0.00 57.88 57.26 1uby h LEU 149 Cb 0.26 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1uby h LEU 149 CO 0.01 1.46 -0.18 -0.08 0.09 0.00 0.00 178.44 179.74 1uby h GLU 150 N 0.09 0.97 -0.62 1.13 4.81 -0.27 -2.53 114.58 118.17 1uby h GLU 150 Ca -0.18 -0.40 0.05 0.00 -0.13 0.00 0.00 59.36 58.70 1uby h GLU 150 Cb 2.03 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 31.33 1uby h GLU 150 CO 0.22 1.07 0.41 0.77 -0.73 0.00 0.00 179.01 180.75 1uby h SER 151 N 0.82 0.58 -0.22 1.04 0.02 -1.15 -2.52 113.55 112.11 1uby h SER 151 Ca 0.11 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1uby h SER 151 Cb 0.75 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 1uby h SER 151 CO 0.06 0.39 0.09 0.28 -1.14 0.00 0.00 176.83 176.51 1uby h SER 152 N 0.66 0.36 -0.33 3.07 0.02 -1.25 -2.31 113.55 113.77 1uby h SER 152 Ca 0.26 -0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.22 1uby h SER 152 Cb 0.18 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.59 1uby h SER 152 CO -0.07 0.34 0.09 0.58 -1.14 0.00 0.00 176.83 176.63 1uby h VAL 153 N 0.40 0.87 0.00 2.27 2.07 -1.43 -1.58 116.25 118.86 1uby h VAL 153 Ca 0.10 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 1uby h VAL 153 Cb 0.11 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1uby h VAL 153 CO -0.01 0.04 -0.17 1.88 0.02 0.00 0.00 177.57 179.33 1uby h TYR 154 N 0.22 0.00 -0.06 1.57 0.05 -1.55 -2.08 116.97 115.11 1uby h TYR 154 Ca 0.15 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.74 1uby h TYR 154 Cb 0.15 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.88 1uby h TYR 154 CO -0.16 0.17 -0.76 0.00 -1.05 0.00 0.00 178.16 176.36 1uby h ARG 155 N 0.00 0.39 -0.25 4.88 3.08 -1.08 -0.19 114.38 121.21 1uby h ARG 155 Ca -0.00 -0.33 -0.16 0.00 0.07 0.00 0.00 59.98 59.56 1uby h ARG 155 Cb 0.88 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 1uby h ARG 155 CO 0.02 0.98 -0.47 0.28 -1.07 0.00 0.00 179.97 179.71 1uby h VAL 156 N 0.26 1.30 -0.08 2.04 2.07 -0.80 -1.81 116.25 119.22 1uby h VAL 156 Ca -0.04 -1.68 -0.02 0.00 0.82 0.00 0.00 66.70 65.78 1uby h VAL 156 Cb 1.34 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1uby h VAL 156 CO 0.13 0.53 -0.05 -0.07 0.02 0.00 0.00 177.57 178.14 1uby h LEU 157 N 0.53 0.18 -1.37 2.57 3.38 -1.27 -1.66 115.31 117.68 1uby h LEU 157 Ca 0.03 -0.43 0.13 0.00 0.09 0.00 0.00 57.88 57.70 1uby h LEU 157 Cb 1.02 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.66 1uby h LEU 157 CO 0.10 0.57 0.55 0.50 0.09 0.00 0.00 178.44 180.24 1uby h LYS 158 N -0.21 0.62 -0.29 1.13 3.64 -0.91 -0.29 116.57 120.26 1uby h LYS 158 Ca 0.02 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1uby h LYS 158 Cb 0.51 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1uby h LYS 158 CO 0.01 0.41 0.02 -0.22 -2.27 0.00 0.00 179.45 177.41 1uby h LYS 159 N 0.64 0.50 0.00 1.90 3.64 -0.74 -3.12 116.57 119.40 1uby h LYS 159 Ca 0.41 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1uby h LYS 159 Cb 0.68 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1uby h LYS 159 CO -0.17 0.63 -1.76 0.66 -2.27 0.00 0.00 179.45 176.55 1uby n TYR 160 N -4.60 0.00 -0.42 1.91 4.02 -0.68 -4.71 117.16 112.68 1uby n TYR 160 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 1uby n TYR 160 Cb 0.24 -0.38 0.00 0.00 -0.02 0.00 0.00 39.34 39.17 1uby n TYR 160 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1uby h ARG 162 N 0.00 0.69 -1.83 0.00 9.65 -1.57 -2.51 114.38 118.82 1uby h ARG 162 Ca 0.00 -0.04 -0.74 0.00 -1.10 0.00 0.00 59.98 58.10 1uby h ARG 162 Cb 0.48 -0.15 -0.29 0.00 -1.39 0.00 0.00 29.97 28.61 1uby h ARG 162 CO 0.00 0.45 0.82 1.04 2.80 0.00 0.00 179.97 185.09 1uby n GLN 163 N -4.61 2.83 -3.99 0.20 3.00 -1.26 -4.90 117.38 108.65 1uby n GLN 163 Ca 0.19 -3.62 -0.13 0.00 -0.01 0.00 0.00 57.00 53.44 1uby n GLN 163 Cb 0.52 -2.27 -0.14 0.00 0.00 0.00 0.00 30.24 28.35 1uby n GLN 163 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1uby s ARG 164 N -3.99 0.21 0.36 -1.09 1.81 -0.94 -5.03 118.95 110.27 1uby s ARG 164 Ca 0.53 -0.17 0.05 0.00 -1.72 0.00 0.00 55.73 54.42 1uby s ARG 164 Cb 0.44 -0.15 0.72 0.00 -0.45 0.00 0.00 34.95 35.52 1uby s ARG 164 CO -0.35 0.04 1.96 -1.00 -0.68 0.00 0.00 175.30 175.27 1uby h PRO 165 N 5.85 0.75 -0.10 3.54 0.13 -1.93 -2.57 132.00 137.68 1uby h PRO 165 Ca -0.27 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1uby h PRO 165 Cb 1.20 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1uby h PRO 165 CO 0.49 0.50 0.00 2.48 -0.23 0.00 0.00 178.00 181.24 1uby n TYR 166 N -4.48 0.13 -0.09 1.56 0.18 -1.26 -4.40 117.16 108.81 1uby n TYR 166 Ca 0.11 -0.07 -0.12 0.00 1.88 0.00 0.00 57.90 59.70 1uby n TYR 166 Cb 0.22 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.11 1uby n TYR 166 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 1uby h TYR 167 N 0.79 -1.41 -0.92 -3.48 3.20 -1.62 -1.72 116.97 111.81 1uby h TYR 167 Ca 0.00 0.07 0.07 0.00 3.14 0.00 0.00 58.73 62.01 1uby h TYR 167 Cb 0.18 0.66 -0.07 0.00 1.54 0.00 0.00 36.73 39.04 1uby h TYR 167 CO 0.07 -0.48 0.58 0.28 -1.64 0.00 0.00 178.16 176.97 1uby h VAL 168 N -0.41 1.03 -0.36 1.81 2.07 -1.85 -0.69 116.25 117.85 1uby h VAL 168 Ca 0.10 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1uby h VAL 168 Cb 0.61 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1uby h VAL 168 CO -0.53 0.19 0.20 0.45 0.02 0.00 0.00 177.57 177.90 1uby h HIS 169 N 1.03 0.50 -0.54 1.57 3.86 -1.64 -0.08 115.15 119.84 1uby h HIS 169 Ca 0.41 -0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.54 1uby h HIS 169 Cb 0.23 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 1uby h HIS 169 CO -0.02 0.39 0.06 -0.07 0.86 0.00 0.00 177.93 179.15 1uby h LEU 170 N 0.46 0.87 0.15 2.43 3.38 -0.88 0.10 115.31 121.83 1uby h LEU 170 Ca 0.13 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1uby h LEU 170 Cb 0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1uby h LEU 170 CO -0.02 0.93 -0.13 0.25 0.09 0.00 0.00 178.44 179.55 1uby h LEU 171 N 0.79 -0.35 -0.76 1.67 5.85 -0.80 -1.94 115.31 119.77 1uby h LEU 171 Ca 0.16 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 1uby h LEU 171 Cb 0.44 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 1uby h LEU 171 CO 0.01 -0.21 0.46 -0.33 -0.34 0.00 0.00 178.44 178.04 1uby h GLU 172 N -0.30 1.03 -0.92 1.25 5.08 -0.88 -1.67 114.58 118.17 1uby h GLU 172 Ca 0.00 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1uby h GLU 172 Cb 0.28 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 1uby h GLU 172 CO -0.03 0.72 0.61 1.25 -1.00 0.00 0.00 179.01 180.57 1uby h LEU 173 N 1.04 1.04 0.22 1.33 5.85 -0.60 -0.94 115.31 123.25 1uby h LEU 173 Ca 0.27 -0.02 -0.33 0.00 0.84 0.00 0.00 57.88 58.65 1uby h LEU 173 Cb -0.05 -0.25 0.03 0.00 0.37 0.00 0.00 40.66 40.76 1uby h LEU 173 CO -0.05 0.74 -1.45 -0.26 -0.34 0.00 0.00 178.44 177.08 1uby h PHE 174 N 1.22 0.87 -0.70 1.25 -1.00 -1.04 -2.66 116.94 114.87 1uby h PHE 174 Ca 0.35 -0.63 -0.05 0.00 2.81 0.00 0.00 57.97 60.45 1uby h PHE 174 Cb -0.09 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 39.40 1uby h PHE 174 CO -0.00 1.51 0.23 -0.07 -1.61 0.00 0.00 178.31 178.37 1uby h LEU 175 N 0.13 0.99 -0.22 1.54 4.07 -1.21 -0.99 115.31 119.62 1uby h LEU 175 Ca -0.24 -0.17 -0.06 0.00 0.08 0.00 0.00 57.88 57.49 1uby h LEU 175 Cb 2.13 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 43.60 1uby h LEU 175 CO 0.26 0.91 -0.11 -0.61 -1.08 0.00 0.00 178.44 177.80 1uby h GLN 176 N 1.03 0.46 -0.96 1.13 5.75 -1.17 -2.38 115.11 118.97 1uby h GLN 176 Ca 0.23 -0.21 0.01 0.00 -0.15 0.00 0.00 58.65 58.53 1uby h GLN 176 Cb 0.27 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.76 1uby h GLN 176 CO -0.01 0.75 0.63 1.79 -2.65 0.00 0.00 178.83 179.34 1uby h THR 177 N 0.16 1.25 -0.75 2.39 1.35 -1.36 0.37 112.91 116.32 1uby h THR 177 Ca 0.05 -0.46 0.07 0.00 -0.55 0.00 0.00 66.41 65.52 1uby h THR 177 Cb 0.61 -0.17 -0.06 0.00 -1.73 0.00 0.00 68.15 66.81 1uby h THR 177 CO 0.03 0.24 0.43 0.00 -0.25 0.00 0.00 175.52 175.98 1uby h ALA 178 N 1.39 1.04 -0.44 6.62 0.00 -0.69 -0.26 119.26 126.92 1uby h ALA 178 Ca 0.35 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.15 1uby h ALA 178 Cb -0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1uby h ALA 178 CO -0.08 0.10 -0.25 -0.92 0.00 0.00 0.00 179.25 178.11 1uby h TYR 179 N 0.77 1.06 -0.12 0.00 3.20 -0.87 -2.63 116.97 118.37 1uby h TYR 179 Ca 0.35 -0.26 -0.12 0.00 3.14 0.00 0.00 58.73 61.83 1uby h TYR 179 Cb 0.25 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1uby h TYR 179 CO -0.07 1.06 -0.45 1.96 -1.64 0.00 0.00 178.16 179.02 1uby h GLN 180 N 0.79 0.29 -0.20 1.82 4.20 0.68 -2.32 115.11 120.37 1uby h GLN 180 Ca 0.10 -0.15 -0.09 0.00 0.06 0.00 0.00 58.65 58.57 1uby h GLN 180 Cb 0.81 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.59 1uby h GLN 180 CO 0.07 0.69 -0.21 1.79 -0.67 0.00 0.00 178.83 180.50 1uby h THR 181 N 0.24 1.33 -0.93 -0.54 1.35 -1.11 -2.11 112.91 111.13 1uby h THR 181 Ca 0.02 -1.37 0.20 0.00 -0.55 0.00 0.00 66.41 64.71 1uby h THR 181 Cb 0.90 1.76 -0.08 0.00 -1.73 0.00 0.00 68.15 69.00 1uby h THR 181 CO 0.07 0.42 0.61 -0.33 -0.25 0.00 0.00 175.52 176.04 1uby h GLU 182 N 0.18 0.47 0.02 4.72 5.08 -1.42 1.65 114.58 125.27 1uby h GLU 182 Ca 0.03 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1uby h GLU 182 Cb 0.75 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1uby h GLU 182 CO 0.05 0.31 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.29 1uby h LEU 183 N 0.48 -0.02 -1.64 1.33 3.38 -1.27 0.63 115.31 118.21 1uby h LEU 183 Ca 0.50 -0.47 0.06 0.00 0.09 0.00 0.00 57.88 58.06 1uby h LEU 183 Cb 1.13 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 1uby h LEU 183 CO -0.22 0.47 0.35 1.23 0.09 0.00 0.00 178.44 180.36 1uby h GLY 184 N -0.51 0.56 0.74 0.83 0.00 0.32 0.11 103.07 105.12 1uby h GLY 184 Ca -0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 1uby h GLY 184 CO 0.00 0.13 -0.12 -1.61 0.00 0.00 0.00 176.54 174.95 1uby h GLN 185 N 0.44 0.33 -0.63 4.80 5.75 0.27 -1.68 115.11 124.39 1uby h GLN 185 Ca 0.23 -0.17 0.10 0.00 -0.15 0.00 0.00 58.65 58.66 1uby h GLN 185 Cb 0.33 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 28.81 1uby h GLN 185 CO -0.06 0.70 0.24 1.98 -2.65 0.00 0.00 178.83 179.05 1uby h MET 186 N -0.03 0.42 -0.69 1.69 4.05 0.23 0.01 114.93 120.60 1uby h MET 186 Ca 0.03 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1uby h MET 186 Cb 0.63 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.30 1uby h MET 186 CO 0.03 0.28 0.43 -0.07 0.23 0.00 0.00 176.91 177.80 1uby h LEU 187 N 0.43 0.82 0.51 3.39 3.38 -0.59 -1.88 115.31 121.37 1uby h LEU 187 Ca 0.32 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 1uby h LEU 187 Cb 0.40 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1uby h LEU 187 CO -0.31 0.62 -0.46 -0.78 0.09 0.00 0.00 178.44 177.60 1uby h ASP 188 N 0.94 -1.26 -0.77 -0.43 3.58 -0.59 0.64 116.42 118.53 1uby h ASP 188 Ca 0.25 0.10 0.22 0.00 0.42 0.00 0.00 57.03 58.02 1uby h ASP 188 Cb -0.05 0.41 -0.03 0.00 1.72 0.00 0.00 39.33 41.37 1uby h ASP 188 CO -0.05 -0.63 0.72 -0.07 -2.88 0.00 0.00 179.24 176.33 1uby h LEU 189 N -0.96 0.00 0.05 2.28 4.07 -0.49 0.77 115.31 121.03 1uby h LEU 189 Ca -0.07 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.55 1uby h LEU 189 Cb 0.82 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.52 1uby h LEU 189 CO -0.03 0.00 -2.01 -0.38 -1.08 0.00 0.00 178.44 174.94 1uby n ILE 190 N -3.77 1.63 0.11 1.22 5.41 -0.75 -4.15 119.36 119.07 1uby n ILE 190 Ca 0.16 -0.72 -0.06 0.00 1.00 0.00 0.00 62.75 63.13 1uby n ILE 190 Cb 0.99 -1.29 -0.03 0.00 -0.71 0.00 0.00 39.64 38.61 1uby n ILE 190 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1uby h THR 191 N 0.03 0.00 -3.64 1.39 2.02 0.14 -3.40 112.91 109.45 1uby h THR 191 Ca -0.41 -0.64 -0.74 0.00 0.77 0.00 0.00 66.41 65.38 1uby h THR 191 Cb 2.04 0.00 -0.31 0.00 -1.74 0.00 0.00 68.15 68.14 1uby h THR 191 CO 0.05 0.00 -0.08 0.00 0.37 0.00 0.00 175.52 175.87 1uby s ALA 192 N -3.51 3.96 -0.26 6.16 0.00 -0.30 -4.83 121.76 122.98 1uby s ALA 192 Ca -0.05 -3.42 -0.29 0.00 0.00 0.00 0.00 51.96 48.20 1uby s ALA 192 Cb 0.01 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.03 1uby s ALA 192 CO 0.16 -2.19 1.18 -2.14 0.00 0.00 0.00 175.76 172.77 1uby s PRO 193 N -0.25 4.09 0.00 0.00 0.02 -1.26 -4.67 135.00 132.93 1uby s PRO 193 Ca 0.20 1.31 0.00 0.00 0.02 0.00 0.00 61.00 62.53 1uby s PRO 193 Cb -0.14 -3.77 0.00 0.00 0.02 0.00 0.00 34.50 30.61 1uby s PRO 193 CO -0.07 -0.88 0.23 1.33 -0.33 0.00 0.00 177.00 177.28 1uby n VAL 194 N 5.77 0.00 -2.71 3.83 0.24 -1.26 -2.81 118.33 121.38 1uby n VAL 194 Ca 0.13 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.37 1uby n VAL 194 Cb 0.46 -0.25 0.04 0.00 -1.47 0.00 0.00 33.84 32.62 1uby n VAL 194 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1uby n SER 195 N -0.08 1.45 0.00 -1.34 7.64 -1.26 -4.88 113.62 115.15 1uby n SER 195 Ca 0.00 -2.50 0.00 0.00 1.01 0.00 0.00 58.87 57.38 1uby n SER 195 Cb 0.04 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 1uby n SER 195 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1uby n LYS 196 N -0.23 0.00 0.16 1.43 3.00 -1.12 -5.11 118.16 116.29 1uby n LYS 196 Ca 0.08 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.23 1uby n LYS 196 Cb 0.81 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.75 1uby n LYS 196 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1uby h VAL 197 N 0.00 0.04 -0.65 3.15 2.07 -1.94 -3.39 116.25 115.54 1uby h VAL 197 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1uby h VAL 197 Cb 0.00 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.81 1uby h VAL 197 CO 0.00 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.06 1uby n ASP 198 N -5.50 0.00 -0.57 0.57 8.00 -1.26 -4.84 116.55 112.95 1uby n ASP 198 Ca -0.09 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.48 1uby n ASP 198 Cb 0.42 0.00 0.23 0.00 -0.02 0.00 0.00 41.12 41.75 1uby n ASP 198 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1uby n LEU 199 N 0.61 1.68 0.19 0.64 4.77 -1.26 -4.05 117.00 119.57 1uby n LEU 199 Ca 0.00 -0.80 -0.15 0.00 -0.03 0.00 0.00 56.01 55.04 1uby n LEU 199 Cb 0.00 -0.18 -0.08 0.00 -2.33 0.00 0.00 43.42 40.84 1uby n LEU 199 CO 0.00 0.40 0.75 -1.28 -1.33 0.00 0.00 177.39 175.93 1uby h SER 200 N 1.96 -0.42 -0.32 -1.43 0.87 -1.96 -2.64 113.55 109.61 1uby h SER 200 Ca 0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1uby h SER 200 Cb 0.44 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1uby h SER 200 CO 0.00 -0.28 0.00 1.41 -0.53 0.00 0.00 176.83 177.43 1uby n HIS 201 N -5.30 0.83 -2.80 2.24 8.25 -1.26 -4.62 115.22 112.56 1uby n HIS 201 Ca -0.10 -0.32 -0.43 0.00 -0.26 0.00 0.00 57.72 56.61 1uby n HIS 201 Cb 0.21 -0.19 -0.00 0.00 1.12 0.00 0.00 29.99 31.13 1uby n HIS 201 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1uby s PHE 202 N -1.73 3.18 0.44 4.41 0.40 -1.00 -4.89 117.98 118.79 1uby s PHE 202 Ca 0.26 -1.85 0.06 0.00 -0.60 0.00 0.00 56.93 54.80 1uby s PHE 202 Cb 0.18 -4.49 0.01 0.00 0.51 0.00 0.00 43.02 39.23 1uby s PHE 202 CO 0.11 -1.57 0.61 -1.54 0.70 0.00 0.00 175.22 173.53 1uby s SER 203 N 3.47 5.63 0.17 1.36 1.04 -1.26 -4.78 113.70 119.33 1uby s SER 203 Ca 0.46 -0.25 -0.11 0.00 0.48 0.00 0.00 55.95 56.53 1uby s SER 203 Cb -0.00 -0.85 0.05 0.00 0.10 0.00 0.00 66.02 65.31 1uby s SER 203 CO 0.02 -0.79 1.64 -0.08 0.98 0.00 0.00 173.24 175.01 1uby h GLU 204 N 0.54 0.97 0.00 4.02 4.81 -1.93 -0.98 114.58 122.01 1uby h GLU 204 Ca -0.42 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.53 1uby h GLU 204 Cb 1.28 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1uby h GLU 204 CO 0.49 0.95 -0.17 0.93 -0.73 0.00 0.00 179.01 180.48 1uby h GLU 205 N 0.86 0.00 0.11 1.92 4.39 -1.97 -1.63 114.58 118.25 1uby h GLU 205 Ca 0.17 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.70 1uby h GLU 205 Cb 0.49 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1uby h GLU 205 CO 0.02 0.00 -0.75 -0.09 -1.16 0.00 0.00 179.01 177.03 1uby h ARG 206 N 0.00 0.23 0.48 2.33 9.65 -1.88 0.08 114.38 125.27 1uby h ARG 206 Ca 0.00 -0.40 -0.01 0.00 -1.10 0.00 0.00 59.98 58.47 1uby h ARG 206 Cb 0.89 0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 29.60 1uby h ARG 206 CO 0.00 1.19 -0.39 -0.92 2.80 0.00 0.00 179.97 182.65 1uby h TYR 207 N -0.49 -1.06 -1.00 2.20 3.20 -1.15 0.55 116.97 119.21 1uby h TYR 207 Ca -0.14 0.00 0.22 0.00 3.14 0.00 0.00 58.73 61.95 1uby h TYR 207 Cb 1.53 0.40 -0.10 0.00 1.54 0.00 0.00 36.73 40.10 1uby h TYR 207 CO 0.20 -0.56 0.62 0.87 -1.64 0.00 0.00 178.16 177.65 1uby h LYS 208 N -0.86 0.60 -0.15 1.82 1.57 -1.39 0.32 116.57 118.48 1uby h LYS 208 Ca -0.05 -0.04 -0.21 0.00 -1.87 0.00 0.00 60.65 58.49 1uby h LYS 208 Cb 0.74 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1uby h LYS 208 CO -0.02 0.40 -0.73 0.00 -0.57 0.00 0.00 179.45 178.53 1uby h ALA 209 N 1.65 0.43 -0.54 3.86 0.00 0.59 -0.47 119.26 124.78 1uby h ALA 209 Ca 0.58 -0.59 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1uby h ALA 209 Cb 1.11 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1uby h ALA 209 CO -0.36 0.71 0.22 0.82 0.00 0.00 0.00 179.25 180.64 1uby h ILE 210 N 0.47 1.22 -0.40 0.00 2.04 0.26 -2.56 117.51 118.54 1uby h ILE 210 Ca -0.04 -0.66 -0.05 0.00 1.00 0.00 0.00 64.86 65.11 1uby h ILE 210 Cb 1.34 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 1uby h ILE 210 CO 0.14 0.26 0.05 0.58 0.00 0.00 0.00 178.15 179.18 1uby h VAL 211 N 0.74 1.25 0.02 1.67 2.07 -0.33 -0.56 116.25 121.11 1uby h VAL 211 Ca 0.18 -0.90 0.03 0.00 0.82 0.00 0.00 66.70 66.83 1uby h VAL 211 Cb 0.19 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 1uby h VAL 211 CO -0.02 0.31 -0.38 0.50 0.02 0.00 0.00 177.57 178.00 1uby h LYS 212 N 0.51 -0.53 0.11 1.57 3.64 -0.88 -3.00 116.57 117.99 1uby h LYS 212 Ca 0.12 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1uby h LYS 212 Cb 0.40 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1uby h LYS 212 CO 0.01 -0.35 -0.05 1.88 -2.27 0.00 0.00 179.45 178.66 1uby h TYR 213 N -0.55 -0.14 0.00 1.91 -1.99 -1.44 -2.97 116.97 111.79 1uby h TYR 213 Ca 0.05 -0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.77 1uby h TYR 213 Cb 0.62 0.05 -0.00 0.00 2.00 0.00 0.00 36.73 39.40 1uby h TYR 213 CO -0.38 0.33 -0.01 -0.22 -0.00 0.00 0.00 178.16 177.88 1uby h LYS 214 N -0.72 0.00 0.00 4.88 3.64 -1.18 -3.29 116.57 119.90 1uby h LYS 214 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1uby h LYS 214 Cb 0.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1uby h LYS 214 CO 0.03 0.01 0.00 0.25 -2.27 0.00 0.00 179.45 177.46 1uby n THR 215 N -3.16 0.00 0.38 1.00 -2.24 -1.19 -4.86 114.28 104.22 1uby n THR 215 Ca -0.02 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.57 1uby n THR 215 Cb 0.12 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.26 1uby n THR 215 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uby h ALA 216 N 0.00 -1.14 -0.43 6.98 0.00 -1.46 1.26 119.26 124.46 1uby h ALA 216 Ca 0.00 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.76 1uby h ALA 216 Cb 0.00 0.58 -0.09 0.00 0.00 0.00 0.00 17.79 18.27 1uby h ALA 216 CO 0.00 -1.16 -0.43 0.74 0.00 0.00 0.00 179.25 178.40 1uby h PHE 217 N -1.09 -1.26 0.00 0.00 0.04 -1.74 0.32 116.94 113.21 1uby h PHE 217 Ca -0.09 0.07 -0.12 0.00 2.80 0.00 0.00 57.97 60.63 1uby h PHE 217 Cb 0.89 0.61 -0.02 0.00 2.20 0.00 0.00 35.95 39.63 1uby h PHE 217 CO -0.13 -0.44 -0.57 0.10 -0.60 0.00 0.00 178.31 176.68 1uby h TYR 218 N -0.31 0.00 0.10 -0.55 -0.00 -1.81 -0.62 116.97 113.77 1uby h TYR 218 Ca 0.14 0.00 -0.27 0.00 -0.00 0.00 0.00 58.73 58.60 1uby h TYR 218 Cb 0.58 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.30 1uby h TYR 218 CO -0.64 0.57 -1.31 0.77 -0.00 0.00 0.00 178.16 177.55 1uby h SER 219 N 0.00 0.33 0.00 0.10 0.02 0.22 -3.40 113.55 110.82 1uby h SER 219 Ca -0.01 -0.39 -0.08 0.00 -0.84 0.00 0.00 61.79 60.47 1uby h SER 219 Cb 1.43 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.84 1uby h SER 219 CO 0.07 1.32 -1.17 0.49 -1.14 0.00 0.00 176.83 176.40 1uby n PHE 220 N -3.46 0.00 0.27 3.45 3.01 0.11 -4.70 117.46 116.13 1uby n PHE 220 Ca -0.10 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.20 1uby n PHE 220 Cb 1.02 -0.17 -0.08 0.00 -0.01 0.00 0.00 39.48 40.23 1uby n PHE 220 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 1uby h TYR 221 N -0.18 -0.59 -0.58 1.38 3.20 -1.43 -3.23 116.97 115.53 1uby h TYR 221 Ca -0.12 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 61.85 1uby h TYR 221 Cb 1.02 0.20 -0.11 0.00 1.54 0.00 0.00 36.73 39.37 1uby h TYR 221 CO -0.02 -0.33 -0.31 1.25 -1.64 0.00 0.00 178.16 177.10 1uby h LEU 222 N -0.71 -1.09 -0.83 2.82 5.85 -1.32 0.17 115.31 120.19 1uby h LEU 222 Ca -0.07 0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1uby h LEU 222 Cb 0.52 0.55 -0.04 0.00 0.37 0.00 0.00 40.66 42.06 1uby h LEU 222 CO 0.11 -0.30 0.55 1.55 -0.34 0.00 0.00 178.44 180.01 1uby h PRO 223 N -0.15 1.10 -0.07 5.25 0.14 -1.79 -0.66 132.00 135.80 1uby h PRO 223 Ca 0.24 -0.07 -0.03 0.00 0.14 0.00 0.00 66.00 66.28 1uby h PRO 223 Cb 0.54 -0.25 -0.00 0.00 0.14 0.00 0.00 31.00 31.44 1uby h PRO 223 CO -0.67 0.73 -0.08 0.28 0.14 0.00 0.00 178.00 178.40 1uby h VAL 224 N 1.13 1.38 -0.90 1.56 2.07 -1.41 -2.71 116.25 117.37 1uby h VAL 224 Ca 0.30 -1.27 0.13 0.00 0.82 0.00 0.00 66.70 66.68 1uby h VAL 224 Cb -0.13 2.07 -0.07 0.00 -1.52 0.00 0.00 31.29 31.64 1uby h VAL 224 CO -0.07 0.35 0.58 0.00 0.02 0.00 0.00 177.57 178.46 1uby h ALA 225 N 0.54 1.74 -0.56 1.67 0.00 -0.60 0.21 119.26 122.25 1uby h ALA 225 Ca 0.01 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1uby h ALA 225 Cb 0.61 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1uby h ALA 225 CO 0.02 0.04 0.22 0.00 0.00 0.00 0.00 179.25 179.53 1uby h ALA 226 N 1.58 0.73 -0.08 0.00 0.00 -0.95 -0.49 119.26 120.05 1uby h ALA 226 Ca 0.44 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 1uby h ALA 226 Cb 0.60 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1uby h ALA 226 CO -0.21 0.35 -0.32 0.00 0.00 0.00 0.00 179.25 179.07 1uby h ALA 227 N 1.07 1.32 0.03 0.00 0.00 -0.72 -2.13 119.26 118.83 1uby h ALA 227 Ca 0.19 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1uby h ALA 227 Cb 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1uby h ALA 227 CO -0.01 0.48 -0.01 0.52 0.00 0.00 0.00 179.25 180.22 1uby h MET 228 N 0.13 -0.04 0.00 0.00 2.86 0.91 -2.13 114.93 116.67 1uby h MET 228 Ca 0.02 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1uby h MET 228 Cb 0.64 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.31 1uby h MET 228 CO 0.05 0.19 -0.13 1.88 1.06 0.00 0.00 176.91 179.96 1uby h TYR 229 N -0.27 0.00 0.00 -0.22 0.05 -1.29 -1.02 116.97 114.22 1uby h TYR 229 Ca -0.00 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.73 1uby h TYR 229 Cb 0.25 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 1uby h TYR 229 CO 0.00 0.13 -0.20 0.52 -1.05 0.00 0.00 178.16 177.56 1uby h MET 230 N 0.00 0.00 -0.01 4.88 2.86 -0.75 -3.04 114.93 118.87 1uby h MET 230 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1uby h MET 230 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1uby h MET 230 CO 0.02 0.20 -0.55 1.33 1.06 0.00 0.00 176.91 178.96 1uby n VAL 231 N -3.17 0.00 0.00 -2.22 0.24 -0.64 -4.95 118.33 107.59 1uby n VAL 231 Ca 0.03 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1uby n VAL 231 Cb 0.58 0.67 0.00 0.00 -1.47 0.00 0.00 33.84 33.62 1uby n VAL 231 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1uby n GLY 232 N 1.44 0.95 3.55 7.63 0.00 -0.90 -5.05 105.19 112.81 1uby n GLY 232 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1uby n GLY 232 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uby s ILE 233 N -2.00 3.73 -0.72 -0.61 1.01 -0.48 -4.67 121.20 117.46 1uby s ILE 233 Ca 0.00 0.33 0.06 0.00 0.00 0.00 0.00 60.65 61.04 1uby s ILE 233 Cb 0.00 -4.91 0.08 0.00 0.01 0.00 0.00 42.46 37.64 1uby s ILE 233 CO 0.00 -1.85 0.82 -0.90 0.00 0.00 0.00 174.94 173.01 1uby n ASP 234 N 9.40 1.80 -4.64 3.58 5.75 -1.26 -3.19 116.55 128.00 1uby n ASP 234 Ca 0.05 -1.47 -0.43 0.00 -0.01 0.00 0.00 54.79 52.93 1uby n ASP 234 Cb 0.49 -0.04 -0.03 0.00 -1.03 0.00 0.00 41.12 40.51 1uby n ASP 234 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1uby n SER 235 N 0.28 3.75 -0.19 -1.12 2.88 -1.26 -4.90 113.62 113.06 1uby n SER 235 Ca 0.04 0.69 -0.01 0.00 -1.33 0.00 0.00 58.87 58.27 1uby n SER 235 Cb 0.21 -1.51 0.09 0.00 -0.75 0.00 0.00 64.21 62.26 1uby n SER 235 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1uby h LYS 236 N 11.80 0.36 0.00 -1.46 3.64 -1.99 0.23 116.57 129.16 1uby h LYS 236 Ca -0.46 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1uby h LYS 236 Cb 1.25 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1uby h LYS 236 CO 0.95 0.24 0.00 -1.91 -2.27 0.00 0.00 179.45 176.46 1uby n GLU 237 N -5.01 0.07 0.08 1.90 4.07 -1.26 -0.85 120.64 119.64 1uby n GLU 237 Ca 0.08 0.23 0.04 0.00 -0.06 0.00 0.00 57.16 57.45 1uby n GLU 237 Cb 0.25 -1.62 -0.03 0.00 -0.06 0.00 0.00 31.44 29.99 1uby n GLU 237 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1uby h GLU 238 N 0.00 0.00 0.00 5.31 4.57 -1.00 -2.76 114.58 120.70 1uby h GLU 238 Ca 0.00 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 1uby h GLU 238 Cb 0.39 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 1uby h GLU 238 CO 0.00 0.21 -0.32 0.45 -1.18 0.00 0.00 179.01 178.17 1uby h HIS 239 N 0.00 0.00 -0.01 0.92 3.86 0.75 -2.58 115.15 118.09 1uby h HIS 239 Ca -0.08 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 58.95 1uby h HIS 239 Cb 1.35 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.83 1uby h HIS 239 CO 0.00 0.32 -0.70 0.93 0.86 0.00 0.00 177.93 179.34 1uby h GLU 240 N 0.00 0.50 -0.50 2.45 5.08 -1.02 -0.69 114.58 120.41 1uby h GLU 240 Ca -0.00 -0.52 0.08 0.00 -1.00 0.00 0.00 59.36 57.92 1uby h GLU 240 Cb 0.83 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 1uby h GLU 240 CO 0.04 1.15 0.33 -0.91 -1.00 0.00 0.00 179.01 178.63 1uby h ASN 241 N 0.04 0.31 0.09 1.42 2.35 -1.33 0.23 115.58 118.71 1uby h ASN 241 Ca -0.08 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1uby h ASN 241 Cb 1.39 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.70 1uby h ASN 241 CO 0.14 0.20 -0.04 0.00 -1.65 0.00 0.00 177.43 176.07 1uby h ALA 242 N 1.74 -0.13 -1.01 -0.83 0.00 -1.39 -3.07 119.26 114.57 1uby h ALA 242 Ca 0.22 -0.27 0.22 0.00 0.00 0.00 0.00 54.91 55.09 1uby h ALA 242 Cb 0.42 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.14 1uby h ALA 242 CO -0.05 -0.23 0.61 -0.22 0.00 0.00 0.00 179.25 179.36 1uby h LYS 243 N -0.82 0.63 0.76 0.00 3.64 -0.16 0.29 116.57 120.91 1uby h LYS 243 Ca -0.01 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1uby h LYS 243 Cb 0.58 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1uby h LYS 243 CO 0.02 0.42 -0.36 0.00 -2.27 0.00 0.00 179.45 177.26 1uby h ALA 244 N 1.69 -1.02 -0.42 5.00 0.00 -0.61 0.16 119.26 124.06 1uby h ALA 244 Ca 0.62 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1uby h ALA 244 Cb 1.10 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 1uby h ALA 244 CO -0.43 -0.99 0.20 -0.84 0.00 0.00 0.00 179.25 177.18 1uby h ILE 245 N -1.17 1.18 -0.65 0.00 -0.00 -1.19 -3.11 117.51 112.57 1uby h ILE 245 Ca -0.10 -0.53 0.00 0.00 -0.00 0.00 0.00 64.86 64.23 1uby h ILE 245 Cb 0.80 0.75 -0.03 0.00 -0.00 0.00 0.00 36.82 38.34 1uby h ILE 245 CO 0.17 0.20 0.41 -0.07 -0.00 0.00 0.00 178.15 178.87 1uby h LEU 246 N 0.54 0.76 -1.35 0.16 3.38 -0.25 -2.34 115.31 116.21 1uby h LEU 246 Ca 0.14 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1uby h LEU 246 Cb 0.14 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1uby h LEU 246 CO -0.02 0.57 -0.25 -0.07 0.09 0.00 0.00 178.44 178.77 1uby h LEU 247 N 0.89 0.12 -0.19 1.67 3.38 -0.62 -1.94 115.31 118.63 1uby h LEU 247 Ca 0.24 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1uby h LEU 247 Cb -0.07 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1uby h LEU 247 CO -0.05 0.37 0.02 -0.08 0.09 0.00 0.00 178.44 178.80 1uby h GLU 248 N 0.11 0.32 0.00 1.13 4.22 -1.46 -2.01 114.58 116.89 1uby h GLU 248 Ca 0.02 -0.09 0.00 0.00 0.08 0.00 0.00 59.36 59.37 1uby h GLU 248 Cb 0.50 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1uby h GLU 248 CO 0.04 0.49 0.00 -0.12 -2.18 0.00 0.00 179.01 177.23 1uby n MET 249 N -4.74 0.00 0.28 1.92 1.56 -1.00 -1.01 117.12 114.12 1uby n MET 249 Ca -0.04 0.75 0.19 0.00 -0.27 0.00 0.00 57.70 58.33 1uby n MET 249 Cb 0.20 -1.48 0.99 0.00 2.15 0.00 0.00 33.22 35.08 1uby n MET 249 CO 0.00 0.00 0.00 0.78 -0.73 0.00 0.00 175.97 176.02 1uby h GLY 250 N 0.00 0.00 0.26 -5.12 0.00 -1.40 0.49 103.07 97.30 1uby h GLY 250 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1uby h GLY 250 CO 0.00 0.00 -0.01 -2.09 0.00 0.00 0.00 176.54 174.44 1uby h GLU 251 N 0.00 -0.03 -0.59 4.80 4.81 -0.65 -2.46 114.58 120.46 1uby h GLU 251 Ca 0.00 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.37 1uby h GLU 251 Cb 0.04 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1uby h GLU 251 CO 0.00 0.67 0.41 -0.92 -0.73 0.00 0.00 179.01 178.44 1uby h TYR 252 N -0.77 0.23 -0.26 0.92 5.03 0.74 -0.86 116.97 122.00 1uby h TYR 252 Ca -0.00 0.01 -0.13 0.00 2.58 0.00 0.00 58.73 61.18 1uby h TYR 252 Cb 0.71 -0.08 -0.00 0.00 1.55 0.00 0.00 36.73 38.91 1uby h TYR 252 CO 0.17 0.10 -0.35 0.35 -1.32 0.00 0.00 178.16 177.12 1uby h PHE 253 N 0.21 0.86 -0.26 -3.82 3.04 -0.88 -0.87 116.94 115.22 1uby h PHE 253 Ca 0.28 -0.28 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 1uby h PHE 253 Cb 0.83 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 39.16 1uby h PHE 253 CO -0.00 1.04 0.16 0.37 -2.02 0.00 0.00 178.31 177.85 1uby h GLN 254 N 0.43 0.35 -0.17 1.11 5.75 -0.71 -1.65 115.11 120.22 1uby h GLN 254 Ca 0.03 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.55 1uby h GLN 254 Cb 0.93 -0.07 -0.07 0.00 1.07 0.00 0.00 27.48 29.34 1uby h GLN 254 CO 0.08 0.28 -0.38 0.82 -2.65 0.00 0.00 178.83 176.98 1uby h ILE 255 N 0.32 0.20 -0.32 2.39 5.03 -1.16 0.11 117.51 124.08 1uby h ILE 255 Ca 0.09 0.00 0.07 0.00 -0.12 0.00 0.00 64.86 64.90 1uby h ILE 255 Cb 0.02 0.20 -0.08 0.00 -3.03 0.00 0.00 36.82 33.92 1uby h ILE 255 CO -0.02 0.00 -0.36 -0.61 -0.68 0.00 0.00 178.15 176.49 1uby h GLN 256 N -0.43 -0.31 -0.71 2.37 4.15 -0.86 0.83 115.11 120.15 1uby h GLN 256 Ca 0.10 0.02 0.15 0.00 0.77 0.00 0.00 58.65 59.68 1uby h GLN 256 Cb 0.59 0.07 -0.10 0.00 0.21 0.00 0.00 27.48 28.25 1uby h GLN 256 CO -0.41 -0.21 0.18 0.22 -1.93 0.00 0.00 178.83 176.69 1uby h ASP 257 N -0.32 0.05 -0.71 -0.69 1.82 -0.75 0.42 116.42 116.24 1uby h ASP 257 Ca 0.14 0.13 0.09 0.00 -0.39 0.00 0.00 57.03 57.00 1uby h ASP 257 Cb 0.56 0.17 -0.07 0.00 0.68 0.00 0.00 39.33 40.67 1uby h ASP 257 CO -0.50 -0.01 0.37 0.44 -1.61 0.00 0.00 179.24 177.93 1uby h ASP 258 N 0.29 0.50 -0.06 2.28 3.32 0.26 -0.16 116.42 122.84 1uby h ASP 258 Ca 0.39 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.39 1uby h ASP 258 Cb 0.64 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1uby h ASP 258 CO -0.47 0.29 -0.35 0.22 -1.72 0.00 0.00 179.24 177.21 1uby h TYR 259 N 0.63 0.48 -0.53 4.55 3.20 0.95 -3.22 116.97 123.03 1uby h TYR 259 Ca 0.34 -0.21 0.05 0.00 3.14 0.00 0.00 58.73 62.05 1uby h TYR 259 Cb 0.32 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.48 1uby h TYR 259 CO -0.10 0.96 0.27 -0.07 -1.64 0.00 0.00 178.16 177.59 1uby h LEU 260 N -0.14 0.39 -0.63 2.82 3.38 0.15 0.11 115.31 121.38 1uby h LEU 260 Ca -0.03 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.10 1uby h LEU 260 Cb 1.01 -0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.59 1uby h LEU 260 CO 0.07 0.26 -0.22 -0.78 0.09 0.00 0.00 178.44 177.86 1uby h ASP 261 N 0.52 -0.80 0.00 -0.43 3.58 -1.05 -0.58 116.42 117.66 1uby h ASP 261 Ca 0.24 0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.89 1uby h ASP 261 Cb 0.15 0.47 -0.00 0.00 1.72 0.00 0.00 39.33 41.66 1uby h ASP 261 CO -0.17 -0.25 -0.31 0.00 -2.88 0.00 0.00 179.24 175.64 1uby n PHE 263 N -4.68 2.85 -4.46 0.00 3.01 0.37 -4.96 117.46 109.59 1uby n PHE 263 Ca -0.05 -2.09 -0.22 0.00 1.01 0.00 0.00 57.45 56.10 1uby n PHE 263 Cb 0.17 -1.04 -0.11 0.00 -0.01 0.00 0.00 39.48 38.50 1uby n PHE 263 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1uby s GLY 264 N -1.22 2.07 0.09 1.37 0.00 -0.23 -4.87 107.32 104.52 1uby s GLY 264 Ca 0.54 -2.05 0.00 0.00 0.00 0.00 0.00 44.72 43.21 1uby s GLY 264 CO 0.07 -1.85 0.00 1.34 0.00 0.00 0.00 173.10 172.66 1uby n ASP 265 N -0.69 -0.81 -4.52 1.64 -0.08 -1.26 -4.92 116.55 105.91 1uby n ASP 265 Ca -0.03 0.19 -0.33 0.00 -1.51 0.00 0.00 54.79 53.11 1uby n ASP 265 Cb 0.66 1.09 -0.11 0.00 2.34 0.00 0.00 41.12 45.10 1uby n ASP 265 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1uby n PRO 266 N -2.57 0.42 -0.19 -0.67 -0.02 -1.26 0.10 135.00 130.81 1uby n PRO 266 Ca 0.00 -0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1uby n PRO 266 Cb 0.00 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.12 1uby n PRO 266 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uby n ALA 267 N 12.65 0.00 -1.34 3.55 0.00 -1.26 -5.02 120.51 129.09 1uby n ALA 267 Ca 0.54 0.00 -0.53 0.00 0.00 0.00 0.00 53.44 53.45 1uby n ALA 267 Cb 0.27 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.59 1uby n ALA 267 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1uby n LEU 268 N 0.00 0.65 -3.25 0.00 7.99 0.28 -4.71 117.00 117.97 1uby n LEU 268 Ca 0.00 0.49 -0.03 0.00 -0.01 0.00 0.00 56.01 56.46 1uby n LEU 268 Cb 0.00 -0.93 -0.03 0.00 -0.11 0.00 0.00 43.42 42.35 1uby n LEU 268 CO 0.00 -0.76 0.94 1.07 -1.51 0.00 0.00 177.39 177.13 1uby n THR 269 N 6.88 0.00 -4.33 -5.08 5.66 -1.26 -4.55 114.28 111.59 1uby n THR 269 Ca 0.58 -0.40 0.00 0.00 -3.05 0.00 0.00 64.05 61.18 1uby n THR 269 Cb -0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1uby n THR 269 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1uby n GLY 270 N 3.71 0.51 2.93 1.09 0.00 -1.26 -4.81 105.19 107.35 1uby n GLY 270 Ca 0.09 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.93 1uby n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uby n ALA 271 N 6.28 0.40 -0.58 4.61 0.00 -1.26 -4.72 120.51 125.24 1uby n ALA 271 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 53.44 53.09 1uby n ALA 271 Cb 0.00 -1.92 0.26 0.00 0.00 0.00 0.00 19.45 17.79 1uby n ALA 271 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1uby n VAL 272 N 5.91 2.36 0.00 0.00 3.14 -1.26 -4.66 118.33 123.82 1uby n VAL 272 Ca 0.56 -1.23 0.00 0.00 -2.96 0.00 0.00 64.34 60.70 1uby n VAL 272 Cb 0.05 -0.41 0.00 0.00 -1.06 0.00 0.00 33.84 32.42 1uby n VAL 272 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1uby n GLY 273 N 0.09 -2.03 0.00 7.55 0.00 -1.26 -5.09 105.19 104.45 1uby n GLY 273 Ca 0.30 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1uby n GLY 273 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1uby n THR 274 N 0.00 0.00 -2.70 2.61 5.66 -1.26 -4.96 114.28 113.62 1uby n THR 274 Ca 0.00 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.94 1uby n THR 274 Cb 0.00 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 68.87 1uby n THR 274 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1uby n ASP 275 N 0.00 -1.90 -0.69 1.09 2.03 -1.26 -4.87 116.55 110.95 1uby n ASP 275 Ca 0.00 -2.74 0.13 0.00 0.52 0.00 0.00 54.79 52.70 1uby n ASP 275 Cb 0.00 1.48 0.35 0.00 -0.72 0.00 0.00 41.12 42.23 1uby n ASP 275 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1uby n ILE 276 N 0.76 0.07 -0.07 5.18 0.00 -1.26 -3.09 119.36 120.96 1uby n ILE 276 Ca 0.02 -0.38 -0.02 0.00 0.00 0.00 0.00 62.75 62.37 1uby n ILE 276 Cb 0.71 0.83 0.23 0.00 0.00 0.00 0.00 39.64 41.41 1uby n ILE 276 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 176.55 176.61 1uby h GLN 277 N 3.23 0.68 -5.81 9.51 -0.00 -1.89 -2.98 115.11 117.86 1uby h GLN 277 Ca 0.00 -0.15 -0.58 0.00 -0.00 0.00 0.00 58.65 57.92 1uby h GLN 277 Cb 0.69 -0.10 -0.08 0.00 -0.00 0.00 0.00 27.48 27.99 1uby h GLN 277 CO 0.00 0.67 0.22 -0.51 -0.00 0.00 0.00 178.83 179.21 1uby s ASP 278 N -6.66 6.82 0.00 0.06 1.11 -1.18 -2.87 116.67 113.95 1uby s ASP 278 Ca -0.09 1.00 0.00 0.00 0.18 0.00 0.00 52.55 53.65 1uby s ASP 278 Cb 0.15 -2.40 0.00 0.00 1.07 0.00 0.00 42.92 41.75 1uby s ASP 278 CO 0.79 -0.31 0.76 -3.20 1.18 0.00 0.00 175.17 174.39 1uby n ASN 279 N 4.98 0.00 -4.67 0.27 5.15 -1.26 -4.71 115.26 115.02 1uby n ASN 279 Ca 0.01 -1.69 -0.43 0.00 -0.60 0.00 0.00 54.58 51.88 1uby n ASN 279 Cb 0.49 -0.32 -0.02 0.00 -0.53 0.00 0.00 39.78 39.40 1uby n ASN 279 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1uby s LYS 280 N 4.01 4.27 -1.02 1.20 -2.85 -1.26 -4.84 119.74 119.25 1uby s LYS 280 Ca 0.00 1.78 -0.25 0.00 -1.00 0.00 0.00 55.97 56.50 1uby s LYS 280 Cb 0.00 -3.70 -0.12 0.00 -2.06 0.00 0.00 37.83 31.94 1uby s LYS 280 CO 0.00 -0.63 2.07 0.00 0.10 0.00 0.00 175.35 176.89 1uby s SER 282 N 8.20 5.30 0.18 0.00 0.15 -1.26 -5.02 113.70 121.24 1uby s SER 282 Ca 0.77 -0.53 -0.13 0.00 0.70 0.00 0.00 55.95 56.75 1uby s SER 282 Cb -0.05 -0.88 0.09 0.00 -1.71 0.00 0.00 66.02 63.47 1uby s SER 282 CO 0.10 -0.45 1.84 -0.25 1.20 0.00 0.00 173.24 175.68 1uby h TRP 283 N 1.14 0.69 -0.41 3.44 7.01 -1.91 -3.05 115.95 122.86 1uby h TRP 283 Ca -0.44 0.02 0.05 0.00 2.11 0.00 0.00 58.89 60.63 1uby h TRP 283 Cb 1.26 -0.23 -0.05 0.00 -2.10 0.00 0.00 29.16 28.04 1uby h TRP 283 CO 0.51 0.43 0.14 -0.07 -2.79 0.00 0.00 178.44 176.66 1uby h LEU 284 N 0.74 0.14 0.23 0.65 3.38 -1.95 0.25 115.31 118.76 1uby h LEU 284 Ca 0.21 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.24 1uby h LEU 284 Cb -0.06 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1uby h LEU 284 CO -0.06 0.12 -0.42 0.58 0.09 0.00 0.00 178.44 178.74 1uby h VAL 285 N 0.30 0.15 -0.46 1.22 2.07 -1.88 0.20 116.25 117.84 1uby h VAL 285 Ca 0.19 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.78 1uby h VAL 285 Cb 0.18 0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 30.04 1uby h VAL 285 CO -0.20 0.00 0.13 0.58 0.02 0.00 0.00 177.57 178.10 1uby h VAL 286 N -0.73 0.80 0.00 2.57 2.07 -1.36 0.11 116.25 119.71 1uby h VAL 286 Ca -0.00 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1uby h VAL 286 Cb 0.71 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1uby h VAL 286 CO -0.18 0.05 -0.11 -0.61 0.02 0.00 0.00 177.57 176.74 1uby h GLN 287 N 0.28 0.00 0.08 1.57 5.75 -0.33 -3.02 115.11 119.44 1uby h GLN 287 Ca 0.22 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.72 1uby h GLN 287 Cb 0.26 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.81 1uby h GLN 287 CO -0.26 0.11 -0.04 0.00 -2.65 0.00 0.00 178.83 175.99 1uby n LEU 289 N -2.81 0.00 -0.05 0.00 4.77 -0.09 0.17 117.00 118.98 1uby n LEU 289 Ca -0.01 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1uby n LEU 289 Cb 0.04 -0.11 -0.15 0.00 -2.33 0.00 0.00 43.42 40.87 1uby n LEU 289 CO 0.03 -0.11 -0.93 0.00 -1.33 0.00 0.00 177.39 175.05 1uby n GLN 290 N -0.98 0.77 0.02 3.23 6.02 -1.15 -4.36 117.38 120.93 1uby n GLN 290 Ca 0.00 -0.10 0.12 0.00 -0.01 0.00 0.00 57.00 57.01 1uby n GLN 290 Cb 0.17 -1.48 0.13 0.00 1.02 0.00 0.00 30.24 30.08 1uby n GLN 290 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1uby n ARG 291 N -2.46 0.15 -1.16 -1.09 3.00 0.44 -5.00 116.66 110.53 1uby n ARG 291 Ca -0.18 0.02 -0.30 0.00 -0.01 0.00 0.00 57.85 57.38 1uby n ARG 291 Cb 0.83 -1.57 0.14 0.00 0.00 0.00 0.00 32.46 31.87 1uby n ARG 291 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1uby s VAL 292 N -3.09 2.65 0.51 1.55 0.11 -0.44 -5.07 120.40 116.62 1uby s VAL 292 Ca 0.08 0.21 0.07 0.00 -2.93 0.00 0.00 61.98 59.41 1uby s VAL 292 Cb 0.16 -2.66 0.03 0.00 -1.53 0.00 0.00 36.38 32.37 1uby s VAL 292 CO 0.75 -0.28 0.47 0.42 -3.33 0.00 0.00 175.10 173.13 1uby s THR 293 N -2.90 2.09 -0.52 5.04 -4.23 -1.26 -4.97 115.64 108.89 1uby s THR 293 Ca 0.64 -1.35 0.25 0.00 -1.18 0.00 0.00 61.69 60.05 1uby s THR 293 Cb -0.18 -2.44 0.32 0.00 1.34 0.00 0.00 72.50 71.54 1uby s THR 293 CO 0.57 0.00 1.72 1.55 -0.54 0.00 0.00 174.62 177.92 1uby h PRO 294 N 0.74 0.00 0.12 3.99 0.13 -1.99 -1.84 132.00 133.14 1uby h PRO 294 Ca -0.37 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.75 1uby h PRO 294 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1uby h PRO 294 CO 0.54 0.00 -0.06 0.93 -0.23 0.00 0.00 178.00 179.18 1uby h GLU 295 N 0.00 -0.15 -0.95 0.86 3.07 -2.00 -3.17 114.58 112.23 1uby h GLU 295 Ca 0.00 0.01 0.37 0.00 -0.50 0.00 0.00 59.36 59.24 1uby h GLU 295 Cb 0.81 0.04 -0.14 0.00 -0.84 0.00 0.00 28.75 28.61 1uby h GLU 295 CO 0.00 -0.10 0.55 1.04 -1.40 0.00 0.00 179.01 179.10 1uby n GLN 296 N -3.48 -0.04 0.07 2.33 6.02 -1.22 0.20 117.38 121.26 1uby n GLN 296 Ca -0.02 1.14 -0.13 0.00 -0.01 0.00 0.00 57.00 57.98 1uby n GLN 296 Cb 0.06 -2.11 -0.08 0.00 1.02 0.00 0.00 30.24 29.13 1uby n GLN 296 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1uby h ARG 297 N 0.00 -0.12 0.00 -1.09 9.65 -1.37 -0.27 114.38 121.18 1uby h ARG 297 Ca 0.73 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 59.60 1uby h ARG 297 Cb 2.08 0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 30.68 1uby h ARG 297 CO -0.58 0.02 -0.08 1.96 2.80 0.00 0.00 179.97 184.10 1uby h GLN 298 N -0.24 0.00 0.71 0.20 1.08 -0.23 0.66 115.11 117.29 1uby h GLN 298 Ca -0.01 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 1uby h GLN 298 Cb 0.20 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.63 1uby h GLN 298 CO 0.02 0.08 -0.35 1.25 -0.95 0.00 0.00 178.83 178.88 1uby h LEU 299 N 0.00 -0.84 0.43 1.46 6.46 -0.17 -1.57 115.31 121.08 1uby h LEU 299 Ca -0.00 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 1uby h LEU 299 Cb 0.20 0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.34 1uby h LEU 299 CO 0.01 -0.59 -0.29 -0.07 -0.62 0.00 0.00 178.44 176.88 1uby h LEU 300 N -0.97 -0.74 -1.77 2.25 3.38 -0.58 -1.80 115.31 115.09 1uby h LEU 300 Ca -0.10 0.05 0.53 0.00 0.09 0.00 0.00 57.88 58.46 1uby h LEU 300 Cb 0.75 0.23 -0.09 0.00 0.09 0.00 0.00 40.66 41.63 1uby h LEU 300 CO 0.15 -0.45 1.24 1.21 0.09 0.00 0.00 178.44 180.69 1uby n GLU 301 N -5.42 -0.01 0.00 1.13 4.07 0.22 -1.62 120.64 119.01 1uby n GLU 301 Ca -0.11 1.09 0.00 0.00 -0.06 0.00 0.00 57.16 58.08 1uby n GLU 301 Cb 0.32 -2.41 0.00 0.00 -0.06 0.00 0.00 31.44 29.29 1uby n GLU 301 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1uby n ASP 302 N -4.06 0.00 -0.17 4.31 8.00 -0.61 -4.58 116.55 119.44 1uby n ASP 302 Ca 0.42 0.00 0.27 0.00 0.71 0.00 0.00 54.79 56.19 1uby n ASP 302 Cb 1.84 0.00 0.46 0.00 -0.02 0.00 0.00 41.12 43.41 1uby n ASP 302 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1uby h ASN 303 N 0.00 0.00 -4.25 -2.24 4.21 -1.36 -3.44 115.58 108.50 1uby h ASN 303 Ca 0.00 0.00 -0.52 0.00 1.21 0.00 0.00 56.30 56.99 1uby h ASN 303 Cb 0.00 0.00 0.13 0.00 -1.12 0.00 0.00 38.32 37.33 1uby h ASN 303 CO 0.00 0.00 0.34 -0.47 -1.29 0.00 0.00 177.43 176.01 1uby s TYR 304 N -4.45 2.39 -1.59 1.19 5.04 -0.64 -3.68 117.35 115.61 1uby s TYR 304 Ca -0.03 1.59 -0.03 0.00 -2.44 0.00 0.00 57.07 56.16 1uby s TYR 304 Cb 0.14 -3.19 0.00 0.00 0.35 0.00 0.00 41.96 39.26 1uby s TYR 304 CO 0.47 -2.00 0.42 0.41 -1.34 0.00 0.00 175.55 173.50 1uby n GLY 305 N -0.54 -0.48 3.16 8.97 0.00 -1.12 -4.95 105.19 110.21 1uby n GLY 305 Ca 0.11 0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1uby n GLY 305 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uby s ARG 306 N -5.48 3.02 -0.66 1.61 1.81 -1.14 -4.63 118.95 113.49 1uby s ARG 306 Ca 0.21 -0.84 -0.05 0.00 -1.72 0.00 0.00 55.73 53.32 1uby s ARG 306 Cb -0.09 -2.48 -0.03 0.00 -0.45 0.00 0.00 34.95 31.90 1uby s ARG 306 CO 0.26 -0.07 2.93 1.63 -0.68 0.00 0.00 175.30 179.36 1uby n LYS 307 N 4.23 2.92 -3.80 3.54 5.02 -1.26 -4.51 118.16 124.29 1uby n LYS 307 Ca -0.20 -2.23 -0.29 0.00 -2.02 0.00 0.00 58.31 53.57 1uby n LYS 307 Cb 0.51 -2.28 -0.16 0.00 -0.02 0.00 0.00 35.03 33.08 1uby n LYS 307 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1uby s GLU 308 N -0.48 0.98 0.35 1.97 2.02 -1.26 -5.02 118.70 117.26 1uby s GLU 308 Ca 0.61 -0.71 0.24 0.00 0.02 0.00 0.00 54.97 55.13 1uby s GLU 308 Cb 0.30 -2.26 1.23 0.00 0.10 0.00 0.00 34.13 33.50 1uby s GLU 308 CO -0.12 -0.68 1.34 -2.30 0.02 0.00 0.00 175.26 173.52 1uby n PRO 309 N 4.89 -0.04 0.11 0.39 -0.01 -1.26 -0.58 135.00 138.50 1uby n PRO 309 Ca -0.09 1.12 -0.13 0.00 -0.01 0.00 0.00 63.50 64.39 1uby n PRO 309 Cb 0.45 -2.12 -0.08 0.00 -0.01 0.00 0.00 33.50 31.74 1uby n PRO 309 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 175.50 176.98 1uby h GLU 310 N 0.00 -0.29 -0.16 -0.52 4.22 -1.95 -2.37 114.58 113.52 1uby h GLU 310 Ca 0.74 0.02 0.04 0.00 0.08 0.00 0.00 59.36 60.25 1uby h GLU 310 Cb 2.24 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 31.51 1uby h GLU 310 CO -0.50 0.05 -0.13 0.87 -2.18 0.00 0.00 179.01 177.12 1uby h LYS 311 N -0.66 -0.13 -0.74 1.92 1.79 -1.16 -1.74 116.57 115.86 1uby h LYS 311 Ca -0.03 0.01 0.16 0.00 -2.18 0.00 0.00 60.65 58.60 1uby h LYS 311 Cb 0.47 0.03 -0.14 0.00 -1.58 0.00 0.00 32.23 31.01 1uby h LYS 311 CO 0.05 -0.09 -0.12 0.28 -1.08 0.00 0.00 179.45 178.50 1uby h VAL 312 N -0.14 0.29 -0.53 0.50 2.07 -1.43 0.27 116.25 117.29 1uby h VAL 312 Ca 0.10 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 1uby h VAL 312 Cb 0.28 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1uby h VAL 312 CO -0.24 0.01 0.21 0.00 0.02 0.00 0.00 177.57 177.56 1uby h ALA 313 N 1.72 0.69 0.28 1.67 0.00 -0.84 -2.48 119.26 120.30 1uby h ALA 313 Ca 0.37 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1uby h ALA 313 Cb 0.60 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1uby h ALA 313 CO -0.72 0.31 -0.34 -0.22 0.00 0.00 0.00 179.25 178.28 1uby h LYS 314 N 0.72 -0.64 -0.84 0.00 1.63 0.22 0.20 116.57 117.86 1uby h LYS 314 Ca 0.18 0.04 0.17 0.00 -0.85 0.00 0.00 60.65 60.19 1uby h LYS 314 Cb 0.21 0.14 -0.16 0.00 -0.60 0.00 0.00 32.23 31.83 1uby h LYS 314 CO -0.01 -0.43 -0.21 0.28 -3.45 0.00 0.00 179.45 175.63 1uby n VAL 315 N -5.44 -0.36 0.02 2.00 0.31 0.64 0.29 118.33 115.80 1uby n VAL 315 Ca -0.09 1.92 -0.17 0.00 -0.01 0.00 0.00 64.34 66.00 1uby n VAL 315 Cb 0.35 -2.66 -0.06 0.00 -0.91 0.00 0.00 33.84 30.55 1uby n VAL 315 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1uby h LYS 316 N 0.00 0.66 -0.64 5.55 1.79 -1.13 -2.31 116.57 120.48 1uby h LYS 316 Ca 0.40 -0.62 0.13 0.00 -2.18 0.00 0.00 60.65 58.39 1uby h LYS 316 Cb 0.61 0.15 -0.10 0.00 -1.58 0.00 0.00 32.23 31.31 1uby h LYS 316 CO -0.86 1.22 0.07 1.49 -1.08 0.00 0.00 179.45 180.29 1uby h GLU 317 N 0.41 0.18 0.22 3.15 4.81 0.20 0.18 114.58 123.73 1uby h GLU 317 Ca -0.08 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1uby h GLU 317 Cb 1.52 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.82 1uby h GLU 317 CO 0.17 0.12 -0.40 1.25 -0.73 0.00 0.00 179.01 179.43 1uby h LEU 318 N 0.19 -1.13 -0.65 1.64 6.46 -0.50 3.13 115.31 124.45 1uby h LEU 318 Ca 0.34 0.12 0.13 0.00 -0.12 0.00 0.00 57.88 58.35 1uby h LEU 318 Cb 0.56 0.41 -0.10 0.00 -0.73 0.00 0.00 40.66 40.80 1uby h LEU 318 CO -0.49 -0.50 0.13 1.88 -0.62 0.00 0.00 178.44 178.84 1uby h TYR 319 N -0.70 0.20 0.00 1.25 0.05 -0.15 1.52 116.97 119.15 1uby h TYR 319 Ca 0.00 0.04 -0.18 0.00 0.05 0.00 0.00 58.73 58.64 1uby h TYR 319 Cb 0.68 0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.41 1uby h TYR 319 CO -0.30 -0.06 -0.85 0.93 -1.05 0.00 0.00 178.16 176.84 1uby h GLU 320 N 0.25 0.09 -0.41 4.88 5.08 -0.71 0.48 114.58 124.24 1uby h GLU 320 Ca 0.35 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1uby h GLU 320 Cb 0.55 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1uby h GLU 320 CO -0.45 0.88 0.26 0.00 -1.00 0.00 0.00 179.01 178.70 1uby h ALA 321 N 1.09 1.68 0.00 3.43 0.00 0.99 -1.04 119.26 125.42 1uby h ALA 321 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1uby h ALA 321 Cb 1.47 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1uby h ALA 321 CO 0.12 0.29 -1.23 0.28 0.00 0.00 0.00 179.25 178.71 1uby n VAL 322 N -4.46 0.16 -1.77 0.00 0.31 0.48 -5.01 118.33 108.03 1uby n VAL 322 Ca 0.03 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1uby n VAL 322 Cb 0.07 0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 1uby n VAL 322 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1uby n GLY 323 N 1.34 0.59 0.20 2.92 0.00 0.15 -4.96 105.19 105.44 1uby n GLY 323 Ca 0.01 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1uby n GLY 323 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1uby h MET 324 N 0.00 0.19 -0.40 1.61 -1.53 -1.30 -3.16 114.93 110.34 1uby h MET 324 Ca 0.00 -0.07 0.04 0.00 -3.44 0.00 0.00 59.70 56.23 1uby h MET 324 Cb 0.83 -0.01 -0.07 0.00 -0.55 0.00 0.00 31.60 31.80 1uby h MET 324 CO 0.00 0.50 -0.47 0.00 0.14 0.00 0.00 176.91 177.09 1uby h ARG 325 N 0.17 -0.28 -0.05 0.39 2.47 -1.93 0.38 114.38 115.53 1uby h ARG 325 Ca 0.02 0.02 -0.11 0.00 -1.26 0.00 0.00 59.98 58.65 1uby h ARG 325 Cb 0.67 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.04 1uby h ARG 325 CO 0.05 -0.19 -0.48 0.00 0.56 0.00 0.00 179.97 179.91 1uby h ALA 326 N -0.20 1.09 -0.61 0.04 0.00 -1.94 -2.40 119.26 115.24 1uby h ALA 326 Ca 0.07 -0.45 0.11 0.00 0.00 0.00 0.00 54.91 54.64 1uby h ALA 326 Cb 0.47 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1uby h ALA 326 CO -0.53 0.63 0.41 0.00 0.00 0.00 0.00 179.25 179.76 1uby h ALA 327 N 1.40 2.09 0.09 0.00 0.00 -1.20 0.24 119.26 121.88 1uby h ALA 327 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1uby h ALA 327 Cb 0.90 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1uby h ALA 327 CO 0.07 -0.24 -0.04 0.35 0.00 0.00 0.00 179.25 179.39 1uby h PHE 328 N 0.35 -0.11 -0.45 0.00 3.57 -0.45 -1.02 116.94 118.84 1uby h PHE 328 Ca 0.29 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.84 1uby h PHE 328 Cb 0.65 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 1uby h PHE 328 CO -0.00 0.32 0.30 1.96 -2.23 0.00 0.00 178.31 178.65 1uby h GLN 329 N -0.57 0.37 0.00 1.11 1.08 -1.05 0.79 115.11 116.84 1uby h GLN 329 Ca -0.01 -0.02 -0.13 0.00 -1.45 0.00 0.00 58.65 57.03 1uby h GLN 329 Cb 0.47 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.80 1uby h GLN 329 CO 0.02 0.25 -0.64 1.96 -0.95 0.00 0.00 178.83 179.46 1uby h GLN 330 N 0.39 0.00 0.03 1.46 4.20 -0.56 -2.60 115.11 118.03 1uby h GLN 330 Ca 0.19 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.83 1uby h GLN 330 Cb 0.27 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.06 1uby h GLN 330 CO -0.05 0.64 -0.31 -0.92 -0.67 0.00 0.00 178.83 177.53 1uby h TYR 331 N 0.00 0.24 -0.43 2.96 3.20 0.18 -2.55 116.97 120.57 1uby h TYR 331 Ca -0.01 -0.16 0.10 0.00 3.14 0.00 0.00 58.73 61.81 1uby h TYR 331 Cb 1.32 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.55 1uby h TYR 331 CO 0.00 1.05 0.30 1.49 -1.64 0.00 0.00 178.16 179.36 1uby h GLU 332 N -0.63 0.12 0.27 1.82 4.81 -0.45 0.24 114.58 120.77 1uby h GLU 332 Ca -0.05 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1uby h GLU 332 Cb 1.16 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 1uby h GLU 332 CO 0.06 0.08 -0.29 1.49 -0.73 0.00 0.00 179.01 179.61 1uby h GLU 333 N 0.12 -0.55 -0.41 1.92 4.81 -1.38 -1.94 114.58 117.15 1uby h GLU 333 Ca 0.20 0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.38 1uby h GLU 333 Cb 0.65 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 1uby h GLU 333 CO -0.02 -0.37 -0.09 0.66 -0.73 0.00 0.00 179.01 178.46 1uby h SER 334 N -0.57 0.79 -0.77 1.04 4.64 -0.99 -3.24 113.55 114.45 1uby h SER 334 Ca -0.03 -0.36 0.13 0.00 -0.47 0.00 0.00 61.79 61.06 1uby h SER 334 Cb 0.50 -0.22 -0.13 0.00 -0.31 0.00 0.00 62.40 62.24 1uby h SER 334 CO -0.05 0.96 -0.35 -1.28 -0.87 0.00 0.00 176.83 175.25 1uby h SER 335 N 0.61 -1.26 0.00 4.97 0.87 -0.84 -1.42 113.55 116.47 1uby h SER 335 Ca 0.11 0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 1uby h SER 335 Cb 0.61 0.65 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1uby h SER 335 CO 0.04 -0.30 0.00 0.00 -0.53 0.00 0.00 176.83 176.04 1uby n TYR 336 N -5.45 0.00 0.00 2.24 9.36 -0.74 -2.43 117.16 120.14 1uby n TYR 336 Ca 0.07 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.29 1uby n TYR 336 Cb 0.38 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.09 1uby n TYR 336 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1uby n ARG 337 N 0.00 0.00 -0.30 2.98 0.63 -1.13 0.17 116.66 119.01 1uby n ARG 337 Ca 0.00 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 1uby n ARG 337 Cb 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.86 1uby n ARG 337 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1uby h ARG 338 N 0.00 -0.13 -0.71 -0.14 2.43 -1.31 0.13 114.38 114.65 1uby h ARG 338 Ca 0.00 0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.31 1uby h ARG 338 Cb 0.00 0.03 -0.13 0.00 -0.42 0.00 0.00 29.97 29.45 1uby h ARG 338 CO 0.00 -0.09 -0.25 1.25 -1.51 0.00 0.00 179.97 179.38 1uby h LEU 339 N -0.13 -0.89 -0.70 3.80 5.85 0.20 0.10 115.31 123.54 1uby h LEU 339 Ca 0.19 0.23 -0.01 0.00 0.84 0.00 0.00 57.88 59.13 1uby h LEU 339 Cb 0.52 0.52 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 1uby h LEU 339 CO -0.82 -0.27 0.39 1.56 -0.34 0.00 0.00 178.44 178.97 1uby h GLN 340 N -0.05 0.98 -0.47 1.25 7.50 -0.83 0.74 115.11 124.22 1uby h GLN 340 Ca 0.32 -0.11 0.10 0.00 0.50 0.00 0.00 58.65 59.45 1uby h GLN 340 Cb 0.55 -0.19 -0.02 0.00 0.05 0.00 0.00 27.48 27.86 1uby h GLN 340 CO -0.75 0.73 0.32 0.93 -1.50 0.00 0.00 178.83 178.56 1uby h GLU 341 N 0.97 0.20 0.00 1.46 4.39 -0.09 0.26 114.58 121.76 1uby h GLU 341 Ca 0.25 -0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.82 1uby h GLU 341 Cb 0.03 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 1uby h GLU 341 CO -0.04 0.13 -0.67 -0.07 -1.16 0.00 0.00 179.01 177.20 1uby h LEU 342 N 0.21 0.00 -0.83 1.33 3.38 0.85 -0.75 115.31 119.49 1uby h LEU 342 Ca 0.22 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.07 1uby h LEU 342 Cb 0.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1uby h LEU 342 CO -0.04 0.52 -0.55 0.40 0.09 0.00 0.00 178.44 178.85 1uby h ILE 343 N 0.00 1.39 0.06 1.22 1.08 0.37 -1.46 117.51 120.16 1uby h ILE 343 Ca -0.03 -1.89 -0.00 0.00 -0.39 0.00 0.00 64.86 62.55 1uby h ILE 343 Cb 1.42 1.99 0.00 0.00 -3.07 0.00 0.00 36.82 37.16 1uby h ILE 343 CO 0.06 0.55 -0.03 -0.33 -0.69 0.00 0.00 178.15 177.71 1uby h GLU 344 N 0.06 -0.08 -0.13 2.37 3.07 -0.47 -2.35 114.58 117.05 1uby h GLU 344 Ca -0.00 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 1uby h GLU 344 Cb 1.00 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.92 1uby h GLU 344 CO 0.08 0.48 -0.05 -0.22 -1.40 0.00 0.00 179.01 177.90 1uby h LYS 345 N -0.92 0.19 -0.01 2.33 3.64 -1.19 -3.35 116.57 117.26 1uby h LYS 345 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1uby h LYS 345 Cb 0.59 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1uby h LYS 345 CO 0.01 0.26 -0.16 0.72 -2.27 0.00 0.00 179.45 178.02 1uby n HIS 346 N -4.37 0.00 -1.59 1.91 -0.00 -0.55 -4.63 115.22 105.99 1uby n HIS 346 Ca -0.01 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.38 1uby n HIS 346 Cb 0.19 0.00 0.06 0.00 -0.00 0.00 0.00 29.99 30.24 1uby n HIS 346 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1uby n SER 347 N -0.21 6.95 0.28 0.41 2.88 -0.89 -4.58 113.62 118.47 1uby n SER 347 Ca 0.04 -3.78 -0.11 0.00 -1.33 0.00 0.00 58.87 53.68 1uby n SER 347 Cb 0.18 -0.83 -0.05 0.00 -0.75 0.00 0.00 64.21 62.76 1uby n SER 347 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1uby h ASN 348 N 2.17 -0.61 1.49 -3.46 2.35 -1.82 -3.34 115.58 112.36 1uby h ASN 348 Ca 0.54 0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 56.26 1uby h ASN 348 Cb 0.89 0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.42 1uby h ASN 348 CO 1.36 -0.40 -0.52 -0.09 -1.65 0.00 0.00 177.43 176.13 1uby h ARG 349 N -0.80 0.00 -6.52 0.81 2.43 -1.98 -3.47 114.38 104.85 1uby h ARG 349 Ca -0.07 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.61 1uby h ARG 349 Cb 0.56 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1uby h ARG 349 CO 0.12 0.17 -0.18 -0.51 -1.51 0.00 0.00 179.97 178.06 1uby s LEU 350 N -6.05 4.01 -0.39 3.80 1.43 -1.25 -5.02 118.68 115.21 1uby s LEU 350 Ca 0.03 0.49 -0.29 0.00 -1.03 0.00 0.00 54.13 53.34 1uby s LEU 350 Cb 0.07 -3.35 0.02 0.00 0.03 0.00 0.00 46.19 42.96 1uby s LEU 350 CO 0.73 -0.28 1.19 -2.16 0.23 0.00 0.00 176.35 176.06 1uby s PRO 351 N -4.20 3.84 0.55 1.29 0.04 -1.26 -4.82 135.00 130.43 1uby s PRO 351 Ca 0.41 0.90 0.36 0.00 0.04 0.00 0.00 61.00 62.71 1uby s PRO 351 Cb -0.10 -3.87 1.53 0.00 0.04 0.00 0.00 34.50 32.10 1uby s PRO 351 CO 0.35 -1.22 1.80 0.87 0.04 0.00 0.00 177.00 178.85 1uby h LYS 352 N 9.12 0.00 -0.94 4.56 1.57 -1.95 -1.43 116.57 127.50 1uby h LYS 352 Ca -0.24 0.00 0.27 0.00 -1.87 0.00 0.00 60.65 58.81 1uby h LYS 352 Cb 1.07 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.24 1uby h LYS 352 CO 1.08 0.00 0.40 0.93 -0.57 0.00 0.00 179.45 181.29 1uby h GLU 353 N 0.00 0.29 -0.02 3.15 4.39 -2.00 -1.60 114.58 118.79 1uby h GLU 353 Ca 0.53 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 60.22 1uby h GLU 353 Cb 2.19 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 30.76 1uby h GLU 353 CO -0.01 0.19 -0.20 0.82 -1.16 0.00 0.00 179.01 178.66 1uby h ILE 354 N 0.30 0.00 -0.00 3.13 2.04 -1.66 -1.92 117.51 119.40 1uby h ILE 354 Ca 0.63 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.49 1uby h ILE 354 Cb 1.32 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1uby h ILE 354 CO -0.61 0.00 0.02 -0.26 0.00 0.00 0.00 178.15 177.30 1uby h PHE 355 N -0.23 0.00 0.01 1.37 0.04 -1.50 -1.46 116.94 115.18 1uby h PHE 355 Ca 0.01 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1uby h PHE 355 Cb 0.25 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1uby h PHE 355 CO -0.46 0.00 -0.06 -0.07 -0.60 0.00 0.00 178.31 177.13 1uby h LEU 356 N 0.00 0.03 -1.21 1.54 3.38 -1.03 -1.43 115.31 116.59 1uby h LEU 356 Ca 0.00 -0.99 -0.01 0.00 0.09 0.00 0.00 57.88 56.97 1uby h LEU 356 Cb 0.04 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1uby h LEU 356 CO -0.00 1.02 0.34 1.23 0.09 0.00 0.00 178.44 181.12 1uby h GLY 357 N -0.95 0.94 0.86 0.83 0.00 -1.01 0.90 103.07 104.65 1uby h GLY 357 Ca -0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1uby h GLY 357 CO 0.01 0.40 0.05 -2.00 0.00 0.00 0.00 176.54 175.00 1uby h LEU 358 N 0.89 0.17 -0.46 3.11 5.85 -1.35 -2.96 115.31 120.56 1uby h LEU 358 Ca 0.22 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1uby h LEU 358 Cb 0.04 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1uby h LEU 358 CO -0.03 0.31 0.30 0.00 -0.34 0.00 0.00 178.44 178.67 1uby h ALA 359 N 0.88 0.58 0.00 1.25 0.00 0.08 -1.54 119.26 120.51 1uby h ALA 359 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1uby h ALA 359 Cb 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1uby h ALA 359 CO -0.00 0.02 0.00 0.94 0.00 0.00 0.00 179.25 180.21 1uby n GLN 360 N -4.78 0.05 0.00 0.00 7.27 0.30 -0.68 117.38 119.54 1uby n GLN 360 Ca 0.02 0.18 0.03 0.00 0.07 0.00 0.00 57.00 57.30 1uby n GLN 360 Cb 0.03 -1.50 -0.01 0.00 2.41 0.00 0.00 30.24 31.17 1uby n GLN 360 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 1uby n LYS 361 N -1.20 3.15 -0.07 3.69 2.85 -0.60 -4.68 118.16 121.30 1uby n LYS 361 Ca 0.02 -0.33 -0.09 0.00 -1.05 0.00 0.00 58.31 56.85 1uby n LYS 361 Cb 0.02 -0.90 -0.09 0.00 -0.65 0.00 0.00 35.03 33.41 1uby n LYS 361 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1uby n ILE 362 N -0.56 0.92 0.11 0.58 -0.00 -0.03 -4.71 119.36 115.67 1uby n ILE 362 Ca 0.02 -0.45 -0.02 0.00 -0.00 0.00 0.00 62.75 62.30 1uby n ILE 362 Cb 0.11 -0.89 0.02 0.00 -0.00 0.00 0.00 39.64 38.89 1uby n ILE 362 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.55 178.43 1uby h TYR 363 N 0.00 0.00 0.00 1.39 -1.99 -1.18 -3.45 116.97 111.74 1uby h TYR 363 Ca -0.36 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.37 1uby h TYR 363 Cb 1.67 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.40 1uby h TYR 363 CO 0.01 0.73 0.00 1.63 -0.00 0.00 0.00 178.16 180.53 1uby n LYS 364 N -3.41 0.00 0.00 4.88 5.02 -1.26 -4.87 118.16 118.51 1uby n LYS 364 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1uby n LYS 364 Cb 0.78 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.79 1uby n LYS 364 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1uby n ARG 365 N 0.00 0.00 -1.38 1.97 0.63 -1.26 -4.99 116.66 111.62 1uby n ARG 365 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1uby n ARG 365 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1uby n ARG 365 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1uby n GLN 366 N 0.00 0.00 -0.44 -0.14 1.13 -1.26 -5.00 117.38 111.67 1uby n GLN 366 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1uby n GLN 366 Cb 0.00 -1.51 0.00 0.00 0.11 0.00 0.00 30.24 28.84 1uby n GLN 366 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25