#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ubw n PRO 21 N 0.00 0.80 0.08 4.33 -0.04 -1.26 -3.34 135.00 135.57 1ubw n PRO 21 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ubw n PRO 21 Cb 0.00 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1ubw n PRO 21 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ubw n VAL 22 N 1.05 0.09 0.21 0.52 0.31 -1.26 -4.87 118.33 114.38 1ubw n VAL 22 Ca 0.00 0.03 -0.13 0.00 -0.01 0.00 0.00 64.34 64.23 1ubw n VAL 22 Cb 0.40 -0.64 -0.07 0.00 -0.91 0.00 0.00 33.84 32.62 1ubw n VAL 22 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 1ubw h VAL 23 N 0.00 0.41 -0.80 2.52 3.04 -1.97 -1.52 116.25 117.93 1ubw h VAL 23 Ca 0.00 -0.57 0.19 0.00 -1.01 0.00 0.00 66.70 65.30 1ubw h VAL 23 Cb 0.05 0.61 -0.12 0.00 -2.01 0.00 0.00 31.29 29.83 1ubw h VAL 23 CO 0.00 0.08 0.23 0.58 -1.01 0.00 0.00 177.57 177.45 1ubw h VAL 24 N -0.97 0.46 0.00 1.51 2.07 -1.93 3.28 116.25 120.68 1ubw h VAL 24 Ca -0.06 -0.10 -0.14 0.00 0.82 0.00 0.00 66.70 67.22 1ubw h VAL 24 Cb 0.56 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1ubw h VAL 24 CO 0.09 0.05 -0.67 -0.33 0.02 0.00 0.00 177.57 176.74 1ubw h GLU 25 N 0.29 0.00 -0.09 1.57 4.39 -1.78 2.52 114.58 121.48 1ubw h GLU 25 Ca 0.47 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.15 1ubw h GLU 25 Cb 0.85 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1ubw h GLU 25 CO -0.55 0.67 -0.04 0.00 -1.16 0.00 0.00 179.01 177.94 1ubw h ARG 26 N 0.00 0.19 -0.17 2.33 3.08 0.82 3.31 114.38 123.93 1ubw h ARG 26 Ca -0.01 -0.08 0.04 0.00 0.07 0.00 0.00 59.98 60.00 1ubw h ARG 26 Cb 1.22 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.23 1ubw h ARG 26 CO 0.09 0.54 -0.06 0.93 -1.07 0.00 0.00 179.97 180.39 1ubw h GLU 27 N -0.17 -0.03 0.07 0.04 4.39 0.61 -2.38 114.58 117.10 1ubw h GLU 27 Ca 0.02 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.75 1ubw h GLU 27 Cb 0.48 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.08 1ubw h GLU 27 CO 0.01 -0.02 -0.45 -0.09 -1.16 0.00 0.00 179.01 177.30 1ubw h ARG 28 N -0.03 -0.62 0.00 2.33 2.43 0.56 -2.58 114.38 116.46 1ubw h ARG 28 Ca 0.09 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1ubw h ARG 28 Cb 0.17 0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1ubw h ARG 28 CO -0.20 -0.42 -0.02 0.93 -1.51 0.00 0.00 179.97 178.76 1ubw h GLU 29 N -0.65 0.00 -0.03 0.20 5.08 0.64 -2.67 114.58 117.15 1ubw h GLU 29 Ca 0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1ubw h GLU 29 Cb 0.69 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 1ubw h GLU 29 CO -0.29 0.02 0.02 1.49 -1.00 0.00 0.00 179.01 179.24 1ubw h GLU 30 N 0.00 0.05 0.49 2.33 4.81 -1.05 0.34 114.58 121.54 1ubw h GLU 30 Ca -0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1ubw h GLU 30 Cb 0.03 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1ubw h GLU 30 CO 0.00 0.14 -0.44 0.35 -0.73 0.00 0.00 179.01 178.33 1ubw h PHE 31 N -0.05 -1.21 -0.70 0.92 3.57 -1.21 -1.45 116.94 116.80 1ubw h PHE 31 Ca 0.01 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1ubw h PHE 31 Cb 0.10 0.47 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 1ubw h PHE 31 CO -0.04 -0.61 0.38 0.28 -2.23 0.00 0.00 178.31 176.09 1ubw h VAL 32 N -0.93 1.21 0.00 1.41 2.07 -1.58 0.38 116.25 118.82 1ubw h VAL 32 Ca -0.05 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1ubw h VAL 32 Cb 0.81 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1ubw h VAL 32 CO -0.04 0.23 0.00 1.23 0.02 0.00 0.00 177.57 179.01 1ubw h GLY 33 N 1.02 0.00 1.84 2.17 0.00 0.55 -3.00 103.07 105.65 1ubw h GLY 33 Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.35 1ubw h GLY 33 CO -0.04 0.00 -1.11 -2.75 0.00 0.00 0.00 176.54 172.64 1ubw h PHE 34 N 0.00 0.03 -1.14 5.60 3.57 0.09 -3.41 116.94 121.68 1ubw h PHE 34 Ca 0.00 -0.02 0.42 0.00 3.53 0.00 0.00 57.97 61.89 1ubw h PHE 34 Cb 0.15 -0.00 -0.14 0.00 2.79 0.00 0.00 35.95 38.75 1ubw h PHE 34 CO 0.00 1.02 0.70 0.34 -2.23 0.00 0.00 178.31 178.14 1ubw n PHE 35 N -3.32 0.77 0.08 0.41 7.35 -1.13 -0.66 117.46 120.96 1ubw n PHE 35 Ca -0.03 0.78 -0.08 0.00 -0.76 0.00 0.00 57.45 57.36 1ubw n PHE 35 Cb 0.96 -1.20 -0.04 0.00 0.35 0.00 0.00 39.48 39.55 1ubw n PHE 35 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1ubw h PRO 36 N 0.00 0.12 0.05 -7.13 0.11 -1.84 -0.43 132.00 122.89 1ubw h PRO 36 Ca 0.79 -0.16 -0.00 0.00 0.11 0.00 0.00 66.00 66.74 1ubw h PRO 36 Cb 2.40 0.05 0.00 0.00 0.11 0.00 0.00 31.00 33.56 1ubw h PRO 36 CO -0.51 0.97 -0.03 0.37 -0.21 0.00 0.00 178.00 178.59 1ubw h GLN 37 N 0.06 -0.07 -0.59 1.05 5.75 -1.18 1.42 115.11 121.54 1ubw h GLN 37 Ca -0.04 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.44 1ubw h GLN 37 Cb 1.61 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 30.15 1ubw h GLN 37 CO 0.14 0.03 0.29 0.82 -2.65 0.00 0.00 178.83 177.46 1ubw h ILE 38 N -0.16 1.19 0.00 2.39 1.08 -1.22 0.90 117.51 121.71 1ubw h ILE 38 Ca -0.01 -0.53 -0.00 0.00 -0.39 0.00 0.00 64.86 63.93 1ubw h ILE 38 Cb 0.13 0.43 0.00 0.00 -3.07 0.00 0.00 36.82 34.31 1ubw h ILE 38 CO 0.01 0.22 -0.00 0.58 -0.69 0.00 0.00 178.15 178.27 1ubw h VAL 39 N 0.83 1.13 -0.62 1.67 2.07 0.12 -1.73 116.25 119.72 1ubw h VAL 39 Ca 0.21 -0.39 0.12 0.00 0.82 0.00 0.00 66.70 67.45 1ubw h VAL 39 Cb 0.08 1.40 -0.12 0.00 -1.52 0.00 0.00 31.29 31.12 1ubw h VAL 39 CO -0.03 0.10 -0.27 0.03 0.02 0.00 0.00 177.57 177.43 1ubw h ARG 40 N -0.17 -0.10 -0.46 1.57 3.08 0.36 0.11 114.38 118.76 1ubw h ARG 40 Ca -0.00 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.15 1ubw h ARG 40 Cb 0.17 0.02 -0.10 0.00 0.08 0.00 0.00 29.97 30.15 1ubw h ARG 40 CO 0.00 -0.07 -0.22 -0.44 -1.07 0.00 0.00 179.97 178.18 1ubw h ASP 41 N -0.10 -0.76 -0.61 7.04 3.32 -0.58 -1.65 116.42 123.08 1ubw h ASP 41 Ca 0.27 0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.48 1ubw h ASP 41 Cb 0.53 0.41 -0.03 0.00 0.22 0.00 0.00 39.33 40.46 1ubw h ASP 41 CO -0.68 -0.25 0.35 -0.07 -1.72 0.00 0.00 179.24 176.87 1ubw h LEU 42 N -0.12 0.77 0.00 1.55 3.38 0.11 -3.39 115.31 117.62 1ubw h LEU 42 Ca 0.22 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1ubw h LEU 42 Cb 0.46 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1ubw h LEU 42 CO -0.54 0.62 -0.37 0.35 0.09 0.00 0.00 178.44 178.59 1ubw n THR 43 N -4.38 0.00 -0.34 0.22 -2.24 -0.87 -4.77 114.28 101.89 1ubw n THR 43 Ca 0.06 -0.21 0.20 0.00 -2.27 0.00 0.00 64.05 61.83 1ubw n THR 43 Cb 0.09 0.71 0.43 0.00 -2.10 0.00 0.00 70.33 69.47 1ubw n THR 43 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ubw h GLU 44 N 0.00 0.47 0.10 -0.78 4.81 -1.49 0.21 114.58 117.90 1ubw h GLU 44 Ca 0.00 -0.03 -0.35 0.00 -0.13 0.00 0.00 59.36 58.85 1ubw h GLU 44 Cb 0.00 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1ubw h GLU 44 CO 0.00 0.31 -1.93 -0.25 -0.73 0.00 0.00 179.01 176.41 1ubw n ASP 45 N -4.90 1.88 -0.27 1.04 8.00 -1.26 -4.20 116.55 116.84 1ubw n ASP 45 Ca 0.28 0.26 0.03 0.00 0.71 0.00 0.00 54.79 56.08 1ubw n ASP 45 Cb 0.84 -0.72 0.17 0.00 -0.02 0.00 0.00 41.12 41.39 1ubw n ASP 45 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1ubw h GLY 46 N 1.57 1.20 -0.76 0.44 0.00 -1.70 -3.00 103.07 100.83 1ubw h GLY 46 Ca -0.39 -0.25 0.37 0.00 0.00 0.00 0.00 47.33 47.06 1ubw h GLY 46 CO 0.09 0.04 0.74 -2.22 0.00 0.00 0.00 176.54 175.19 1ubw h ILE 47 N 0.64 0.25 -0.00 2.60 1.08 -0.78 -1.52 117.51 119.78 1ubw h ILE 47 Ca 0.39 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.80 1ubw h ILE 47 Cb 0.45 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.23 1ubw h ILE 47 CO -0.30 0.04 -0.49 0.61 -0.69 0.00 0.00 178.15 177.32 1ubw n GLY 48 N -1.45 -0.19 3.68 5.37 0.00 -1.14 -4.70 105.19 106.76 1ubw n GLY 48 Ca 0.33 -0.40 -0.53 0.00 0.00 0.00 0.00 46.02 45.42 1ubw n GLY 48 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ubw n HIS 49 N -0.79 2.14 0.22 1.61 -0.00 -0.58 -4.79 115.22 113.04 1ubw n HIS 49 Ca 0.04 0.28 0.18 0.00 -0.00 0.00 0.00 57.72 58.22 1ubw n HIS 49 Cb 0.25 -2.56 0.84 0.00 -0.00 0.00 0.00 29.99 28.53 1ubw n HIS 49 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1ubw h PRO 50 N 8.51 0.00 0.00 1.57 0.13 -1.93 0.36 132.00 140.64 1ubw h PRO 50 Ca -0.46 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.38 1ubw h PRO 50 Cb 1.30 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.38 1ubw h PRO 50 CO 0.96 0.00 -1.68 0.39 -0.23 0.00 0.00 178.00 177.44 1ubw n GLU 51 N -3.47 0.56 0.00 0.86 1.02 -1.26 -4.69 120.64 113.66 1ubw n GLU 51 Ca 0.02 0.44 0.06 0.00 -0.02 0.00 0.00 57.16 57.66 1ubw n GLU 51 Cb 0.40 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 1ubw n GLU 51 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1ubw n VAL 52 N -4.38 0.00 -0.35 2.62 0.24 -1.22 -4.71 118.33 110.54 1ubw n VAL 52 Ca -0.38 -0.37 0.31 0.00 -2.04 0.00 0.00 64.34 61.85 1ubw n VAL 52 Cb 0.72 1.15 0.52 0.00 -1.47 0.00 0.00 33.84 34.77 1ubw n VAL 52 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ubw n GLY 53 N 0.99 -0.65 0.23 7.63 0.00 0.13 0.24 105.19 113.76 1ubw n GLY 53 Ca 0.05 0.61 -0.11 0.00 0.00 0.00 0.00 46.02 46.57 1ubw n GLY 53 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ubw h ASP 54 N 0.00 0.73 0.02 1.61 3.32 -1.84 -2.01 116.42 118.25 1ubw h ASP 54 Ca 0.69 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 1ubw h ASP 54 Cb 2.16 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 41.51 1ubw h ASP 54 CO -0.41 1.11 -0.01 0.00 -1.72 0.00 0.00 179.24 178.21 1ubw h ALA 55 N 0.91 -0.03 -0.78 3.45 0.00 0.28 -3.10 119.26 119.98 1ubw h ALA 55 Ca 0.02 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.82 1ubw h ALA 55 Cb 1.07 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 1ubw h ALA 55 CO 0.10 -0.33 0.45 -0.39 0.00 0.00 0.00 179.25 179.08 1ubw h VAL 56 N -0.41 0.95 -0.00 0.00 -1.51 -0.93 -2.45 116.25 111.90 1ubw h VAL 56 Ca -0.00 -0.27 0.03 0.00 -1.23 0.00 0.00 66.70 65.23 1ubw h VAL 56 Cb 0.39 0.09 -0.05 0.00 -2.13 0.00 0.00 31.29 29.59 1ubw h VAL 56 CO 0.00 0.14 -0.37 0.00 -1.23 0.00 0.00 177.57 176.12 1ubw h ALA 57 N 1.41 -0.56 -0.98 5.19 0.00 -1.41 -0.56 119.26 122.35 1ubw h ALA 57 Ca 0.36 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.40 1ubw h ALA 57 Cb 0.28 0.65 -0.09 0.00 0.00 0.00 0.00 17.79 18.63 1ubw h ALA 57 CO -0.22 -0.89 0.62 -0.09 0.00 0.00 0.00 179.25 178.67 1ubw h ARG 58 N -0.52 0.80 -0.80 0.00 9.65 -1.39 0.35 114.38 122.46 1ubw h ARG 58 Ca 0.06 -0.05 0.01 0.00 -1.10 0.00 0.00 59.98 58.90 1ubw h ARG 58 Cb 0.61 -0.18 -0.04 0.00 -1.39 0.00 0.00 29.97 28.97 1ubw h ARG 58 CO -0.29 0.53 0.53 1.25 2.80 0.00 0.00 179.97 184.79 1ubw h LEU 59 N 0.83 0.92 -0.38 3.80 6.46 -0.94 0.68 115.31 126.68 1ubw h LEU 59 Ca 0.52 -0.02 0.06 0.00 -0.12 0.00 0.00 57.88 58.32 1ubw h LEU 59 Cb 0.73 -0.23 -0.05 0.00 -0.73 0.00 0.00 40.66 40.38 1ubw h LEU 59 CO -0.30 0.66 0.08 0.50 -0.62 0.00 0.00 178.44 178.77 1ubw h LYS 60 N 1.08 0.20 -0.44 1.25 3.64 0.12 0.57 116.57 123.00 1ubw h LYS 60 Ca 0.30 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.59 1ubw h LYS 60 Cb -0.12 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 1ubw h LYS 60 CO -0.07 0.14 0.00 1.05 -2.27 0.00 0.00 179.45 178.30 1ubw h GLU 61 N 0.21 0.78 -0.47 1.90 4.11 -0.21 0.20 114.58 121.09 1ubw h GLU 61 Ca 0.18 -0.25 0.10 0.00 0.07 0.00 0.00 59.36 59.46 1ubw h GLU 61 Cb 0.21 -0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.29 1ubw h GLU 61 CO -0.23 0.84 -0.18 0.28 0.07 0.00 0.00 179.01 179.79 1ubw h VAL 62 N 0.62 0.41 0.37 -1.06 2.07 0.13 0.12 116.25 118.91 1ubw h VAL 62 Ca 0.12 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 1ubw h VAL 62 Cb 0.49 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1ubw h VAL 62 CO 0.02 0.00 -0.47 -0.07 0.02 0.00 0.00 177.57 177.07 1ubw h LEU 63 N -0.08 -1.31 -0.70 2.57 -0.00 0.35 -2.23 115.31 113.91 1ubw h LEU 63 Ca 0.23 0.12 0.08 0.00 -0.00 0.00 0.00 57.88 58.31 1ubw h LEU 63 Cb 0.43 0.45 -0.07 0.00 -0.00 0.00 0.00 40.66 41.47 1ubw h LEU 63 CO -0.53 -0.60 0.36 1.56 -0.00 0.00 0.00 178.44 179.24 1ubw h GLN 64 N -0.88 0.62 0.19 1.13 4.20 0.50 -2.09 115.11 118.78 1ubw h GLN 64 Ca -0.04 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1ubw h GLN 64 Cb 0.80 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.44 1ubw h GLN 64 CO -0.12 0.41 -0.09 -0.92 -0.67 0.00 0.00 178.83 177.44 1ubw h TYR 65 N 0.64 -0.24 0.08 2.96 3.20 -0.65 -3.40 116.97 119.55 1ubw h TYR 65 Ca 0.34 -0.01 -0.29 0.00 3.14 0.00 0.00 58.73 61.91 1ubw h TYR 65 Cb 0.31 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 1ubw h TYR 65 CO -0.10 -0.02 -1.53 -0.91 -1.64 0.00 0.00 178.16 173.96 1ubw h ASN 66 N -0.43 0.25 0.25 -2.11 4.21 -1.29 -3.42 115.58 113.04 1ubw h ASN 66 Ca -0.03 -0.37 -0.01 0.00 1.21 0.00 0.00 56.30 57.10 1ubw h ASN 66 Cb 0.33 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.45 1ubw h ASN 66 CO 0.04 1.32 -0.12 0.00 -1.29 0.00 0.00 177.43 177.38 1ubw h ALA 67 N 0.65 -0.34 -2.70 -0.83 0.00 -1.58 -3.44 119.26 111.01 1ubw h ALA 67 Ca -0.23 -0.17 -0.50 0.00 0.00 0.00 0.00 54.91 54.01 1ubw h ALA 67 Cb 1.98 0.13 0.03 0.00 0.00 0.00 0.00 17.79 19.93 1ubw h ALA 67 CO 0.13 -0.54 0.47 -2.14 0.00 0.00 0.00 179.25 177.17 1ubw s PRO 68 N -4.89 4.36 0.00 0.00 0.02 -1.26 -4.64 135.00 128.60 1ubw s PRO 68 Ca -0.15 1.73 0.00 0.00 0.02 0.00 0.00 61.00 62.60 1ubw s PRO 68 Cb 0.03 -2.87 0.00 0.00 0.02 0.00 0.00 34.50 31.67 1ubw s PRO 68 CO 0.58 -0.02 0.00 0.41 -0.33 0.00 0.00 177.00 177.64 1ubw n GLY 69 N 0.80 0.62 0.00 0.52 0.00 -1.26 -4.99 105.19 100.87 1ubw n GLY 69 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1ubw n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubw n GLY 70 N 0.00 1.62 0.16 -0.02 0.00 -1.26 -4.96 105.19 100.72 1ubw n GLY 70 Ca 0.00 -2.00 0.12 0.00 0.00 0.00 0.00 46.02 44.14 1ubw n GLY 70 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ubw h LYS 71 N 0.00 0.00 0.00 1.61 3.11 -2.01 -3.48 116.57 115.80 1ubw h LYS 71 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1ubw h LYS 71 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1ubw h LYS 71 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 179.45 176.64 1ubw h ASN 73 N 0.00 -0.49 -0.64 0.00 4.21 -1.98 -2.57 115.58 114.10 1ubw h ASN 73 Ca 0.00 0.07 0.12 0.00 1.21 0.00 0.00 56.30 57.71 1ubw h ASN 73 Cb 0.00 0.21 -0.09 0.00 -1.12 0.00 0.00 38.32 37.32 1ubw h ASN 73 CO 0.00 -0.23 0.16 0.03 -1.29 0.00 0.00 177.43 176.10 1ubw h ARG 74 N -0.27 0.28 0.06 0.81 3.08 -1.95 -1.20 114.38 115.19 1ubw h ARG 74 Ca 0.06 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1ubw h ARG 74 Cb 0.34 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1ubw h ARG 74 CO -0.17 0.19 -0.03 0.78 -1.07 0.00 0.00 179.97 179.67 1ubw h GLY 75 N 0.29 -0.08 1.35 0.04 0.00 -1.72 -2.77 103.07 100.17 1ubw h GLY 75 Ca 0.34 0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.73 1ubw h GLY 75 CO -0.42 -0.03 0.31 1.41 0.00 0.00 0.00 176.54 177.81 1ubw h LEU 76 N -0.36 0.00 -0.75 3.11 3.38 -1.11 -0.57 115.31 119.01 1ubw h LEU 76 Ca -0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1ubw h LEU 76 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1ubw h LEU 76 CO 0.01 0.00 -0.53 0.74 0.09 0.00 0.00 178.44 178.75 1ubw h THR 77 N 0.00 1.36 0.75 0.22 2.02 -0.92 0.31 112.91 116.65 1ubw h THR 77 Ca 0.04 -1.81 -0.04 0.00 0.77 0.00 0.00 66.41 65.37 1ubw h THR 77 Cb 0.65 1.88 0.01 0.00 -1.74 0.00 0.00 68.15 68.94 1ubw h THR 77 CO -0.00 0.54 -0.36 0.58 0.37 0.00 0.00 175.52 176.65 1ubw h VAL 78 N 0.20 0.13 -0.89 3.16 2.07 -1.18 -2.06 116.25 117.67 1ubw h VAL 78 Ca 0.00 -0.20 0.23 0.00 0.82 0.00 0.00 66.70 67.56 1ubw h VAL 78 Cb 1.00 0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 1ubw h VAL 78 CO 0.08 0.01 0.62 0.58 0.02 0.00 0.00 177.57 178.88 1ubw h VAL 79 N -1.18 0.61 0.22 2.57 2.07 -1.53 0.17 116.25 119.18 1ubw h VAL 79 Ca -0.10 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1ubw h VAL 79 Cb 0.79 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1ubw h VAL 79 CO 0.17 0.03 -0.11 0.00 0.02 0.00 0.00 177.57 177.69 1ubw h ALA 80 N 1.59 -0.30 -0.63 1.67 0.00 -0.61 -2.55 119.26 118.43 1ubw h ALA 80 Ca 0.45 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 55.31 1ubw h ALA 80 Cb 1.46 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 19.26 1ubw h ALA 80 CO -0.09 -0.33 0.07 0.00 0.00 0.00 0.00 179.25 178.90 1ubw h ALA 81 N -0.63 0.70 -0.89 0.00 0.00 -0.66 0.24 119.26 118.02 1ubw h ALA 81 Ca -0.03 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1ubw h ALA 81 Cb 0.46 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1ubw h ALA 81 CO 0.05 -0.36 0.50 -0.92 0.00 0.00 0.00 179.25 178.52 1ubw h TYR 82 N 0.19 1.20 0.00 0.00 3.20 -0.77 0.61 116.97 121.39 1ubw h TYR 82 Ca 0.34 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.19 1ubw h TYR 82 Cb 0.54 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1ubw h TYR 82 CO -0.31 0.82 0.00 -2.13 -1.64 0.00 0.00 178.16 174.90 1ubw n ARG 83 N -4.34 0.12 0.00 1.82 0.00 0.54 -1.29 116.66 113.51 1ubw n ARG 83 Ca 0.10 0.35 0.05 0.00 -0.00 0.00 0.00 57.85 58.35 1ubw n ARG 83 Cb 0.09 -1.72 -0.02 0.00 0.00 0.00 0.00 32.46 30.80 1ubw n ARG 83 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1ubw n GLU 84 N -1.95 2.88 -0.12 -0.14 4.07 0.16 -4.62 120.64 120.92 1ubw n GLU 84 Ca 0.03 -0.34 -0.19 0.00 -0.06 0.00 0.00 57.16 56.60 1ubw n GLU 84 Cb 0.21 -1.02 -0.10 0.00 -0.06 0.00 0.00 31.44 30.47 1ubw n GLU 84 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1ubw n LEU 85 N -0.68 2.63 -4.63 4.31 4.77 0.16 -5.01 117.00 118.56 1ubw n LEU 85 Ca 0.03 -0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.67 1ubw n LEU 85 Cb 0.18 -0.78 0.12 0.00 -2.33 0.00 0.00 43.42 40.61 1ubw n LEU 85 CO 0.15 0.78 0.56 -1.54 -1.33 0.00 0.00 177.39 176.02 1ubw n SER 86 N -3.44 0.33 -4.22 -1.43 3.41 -0.41 -5.04 113.62 102.82 1ubw n SER 86 Ca -0.43 0.55 -0.19 0.00 -0.26 0.00 0.00 58.87 58.54 1ubw n SER 86 Cb 0.91 -1.43 0.09 0.00 -0.26 0.00 0.00 64.21 63.52 1ubw n SER 86 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ubw n GLY 87 N 0.80 0.95 0.19 5.00 0.00 -1.26 -4.97 105.19 105.90 1ubw n GLY 87 Ca 0.12 -2.06 0.14 0.00 0.00 0.00 0.00 46.02 44.22 1ubw n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ubw h PRO 88 N 0.00 0.00 0.61 1.61 0.13 -2.01 -2.82 132.00 129.52 1ubw h PRO 88 Ca -0.27 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.83 1ubw h PRO 88 Cb 1.03 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.17 1ubw h PRO 88 CO 0.31 0.00 -0.29 0.78 -0.23 0.00 0.00 178.00 178.56 1ubw h GLY 89 N 2.22 -0.86 1.92 1.56 0.00 -2.03 -3.12 103.07 102.76 1ubw h GLY 89 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1ubw h GLY 89 CO 0.00 -0.31 0.00 -1.06 0.00 0.00 0.00 176.54 175.17 1ubw n GLN 90 N -5.43 0.02 0.00 4.80 3.00 -1.07 -3.79 117.38 114.91 1ubw n GLN 90 Ca -0.13 0.34 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 1ubw n GLN 90 Cb 0.34 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.08 1ubw n GLN 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1ubw n LYS 91 N -1.46 0.84 -1.02 -1.09 4.76 -1.18 -4.60 118.16 114.42 1ubw n LYS 91 Ca 0.02 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.17 1ubw n LYS 91 Cb 0.08 -1.37 0.19 0.00 -1.84 0.00 0.00 35.03 32.09 1ubw n LYS 91 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 1ubw s ASP 92 N 0.02 2.36 0.16 4.39 -4.77 -1.25 -4.75 116.67 112.84 1ubw s ASP 92 Ca 0.00 1.34 -0.13 0.00 -3.30 0.00 0.00 52.55 50.45 1ubw s ASP 92 Cb 0.00 -2.03 0.05 0.00 -1.09 0.00 0.00 42.92 39.85 1ubw s ASP 92 CO 0.00 -3.31 1.74 0.00 0.70 0.00 0.00 175.17 174.29 1ubw h ALA 93 N -2.02 0.69 -0.42 2.11 0.00 -1.97 0.38 119.26 118.03 1ubw h ALA 93 Ca -0.55 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.13 1ubw h ALA 93 Cb 1.32 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1ubw h ALA 93 CO 0.55 0.26 -0.12 0.93 0.00 0.00 0.00 179.25 180.87 1ubw h GLU 94 N 0.71 0.82 -0.45 0.00 5.08 -1.95 0.30 114.58 119.09 1ubw h GLU 94 Ca 0.18 -0.32 0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1ubw h GLU 94 Cb 0.14 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1ubw h GLU 94 CO -0.02 0.94 0.30 0.77 -1.00 0.00 0.00 179.01 180.00 1ubw h SER 95 N 0.64 0.37 0.15 1.42 0.02 -1.70 -0.15 113.55 114.30 1ubw h SER 95 Ca 0.10 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1ubw h SER 95 Cb 0.65 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1ubw h SER 95 CO 0.04 0.25 -0.07 -0.07 -1.14 0.00 0.00 176.83 175.84 1ubw h LEU 96 N 0.42 -0.17 -0.97 5.07 3.38 0.94 -2.82 115.31 121.16 1ubw h LEU 96 Ca 0.19 -0.33 0.23 0.00 0.09 0.00 0.00 57.88 58.06 1ubw h LEU 96 Cb 0.22 0.05 -0.12 0.00 0.09 0.00 0.00 40.66 40.89 1ubw h LEU 96 CO -0.05 0.28 0.54 0.03 0.09 0.00 0.00 178.44 179.33 1ubw h ARG 97 N -0.67 0.53 -0.70 1.13 3.08 0.40 -0.45 114.38 117.70 1ubw h ARG 97 Ca -0.02 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 1ubw h ARG 97 Cb 0.49 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 1ubw h ARG 97 CO 0.03 0.35 0.23 0.00 -1.07 0.00 0.00 179.97 179.51 1ubw h ALA 99 N 1.21 -1.09 -0.74 0.00 0.00 -0.86 0.31 119.26 118.09 1ubw h ALA 99 Ca 0.23 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 55.13 1ubw h ALA 99 Cb 0.28 0.61 -0.14 0.00 0.00 0.00 0.00 17.79 18.54 1ubw h ALA 99 CO -0.01 -1.11 -0.15 -0.07 0.00 0.00 0.00 179.25 177.91 1ubw h LEU 100 N -0.82 -0.63 0.45 0.00 3.38 -0.80 -0.23 115.31 116.66 1ubw h LEU 100 Ca -0.06 0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1ubw h LEU 100 Cb 0.70 0.44 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1ubw h LEU 100 CO -0.03 -0.24 -0.21 0.00 0.09 0.00 0.00 178.44 178.05 1ubw h ALA 101 N 1.74 -0.60 -0.17 1.53 0.00 0.16 -1.85 119.26 120.06 1ubw h ALA 101 Ca 0.37 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.17 1ubw h ALA 101 Cb 0.58 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1ubw h ALA 101 CO -0.75 -0.78 0.30 0.28 0.00 0.00 0.00 179.25 178.30 1ubw h VAL 102 N -0.71 0.25 0.18 0.00 2.07 0.98 -1.64 116.25 117.38 1ubw h VAL 102 Ca -0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1ubw h VAL 102 Cb 0.51 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1ubw h VAL 102 CO 0.10 0.00 -0.09 1.23 0.02 0.00 0.00 177.57 178.83 1ubw h GLY 103 N 0.00 -0.25 2.00 2.17 0.00 -0.30 -2.65 103.07 104.04 1ubw h GLY 103 Ca 0.08 0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 1ubw h GLY 103 CO -0.00 -0.09 -0.00 1.49 0.00 0.00 0.00 176.54 177.94 1ubw h TRP 104 N -0.64 0.00 -0.34 5.60 4.06 -0.75 0.06 115.95 123.94 1ubw h TRP 104 Ca -0.02 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.82 1ubw h TRP 104 Cb 0.47 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.61 1ubw h TRP 104 CO 0.04 0.00 -0.21 0.00 -3.56 0.00 0.00 178.44 174.72 1ubw h ILE 106 N 0.58 1.46 -0.89 0.00 5.03 -0.80 -2.25 117.51 120.64 1ubw h ILE 106 Ca 0.09 -1.92 0.10 0.00 -0.12 0.00 0.00 64.86 63.01 1ubw h ILE 106 Cb 0.68 2.55 -0.07 0.00 -3.03 0.00 0.00 36.82 36.96 1ubw h ILE 106 CO 0.05 0.55 0.58 -0.33 -0.68 0.00 0.00 178.15 178.31 1ubw h GLU 107 N -0.24 0.84 -0.09 2.37 4.39 -1.08 -1.56 114.58 119.21 1ubw h GLU 107 Ca -0.04 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 1ubw h GLU 107 Cb 1.10 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1ubw h GLU 107 CO 0.08 0.56 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.41 1ubw h LEU 108 N 0.86 0.16 -0.55 1.33 3.38 0.65 -2.50 115.31 118.64 1ubw h LEU 108 Ca 0.42 -0.33 0.11 0.00 0.09 0.00 0.00 57.88 58.17 1ubw h LEU 108 Cb 0.45 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.05 1ubw h LEU 108 CO -0.18 0.45 -0.25 0.15 0.09 0.00 0.00 178.44 178.69 1ubw h PHE 109 N -0.13 -0.66 -0.95 1.13 3.57 -0.77 -0.30 116.94 118.83 1ubw h PHE 109 Ca 0.02 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.63 1ubw h PHE 109 Cb 0.37 0.37 -0.06 0.00 2.79 0.00 0.00 35.95 39.43 1ubw h PHE 109 CO 0.04 -0.33 0.61 0.37 -2.23 0.00 0.00 178.31 176.77 1ubw h GLN 110 N -0.12 1.14 0.26 1.11 4.15 -1.29 -2.21 115.11 118.15 1ubw h GLN 110 Ca 0.25 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 1ubw h GLN 110 Cb 0.51 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.94 1ubw h GLN 110 CO -0.63 0.75 -0.12 0.00 -1.93 0.00 0.00 178.83 176.90 1ubw h ALA 111 N 1.40 -0.35 -0.85 3.38 0.00 -0.73 0.17 119.26 122.28 1ubw h ALA 111 Ca 0.38 -0.08 0.21 0.00 0.00 0.00 0.00 54.91 55.43 1ubw h ALA 111 Cb 0.04 0.13 -0.13 0.00 0.00 0.00 0.00 17.79 17.83 1ubw h ALA 111 CO -0.13 -0.69 0.25 0.00 0.00 0.00 0.00 179.25 178.68 1ubw h ALA 112 N 0.39 1.23 0.47 0.00 0.00 -0.60 0.23 119.26 120.99 1ubw h ALA 112 Ca -0.04 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1ubw h ALA 112 Cb 0.27 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ubw h ALA 112 CO 0.06 -0.41 -0.22 0.77 0.00 0.00 0.00 179.25 179.44 1ubw h SER 113 N 0.26 -0.53 -0.47 0.00 0.02 -0.75 -2.86 113.55 109.22 1ubw h SER 113 Ca 0.52 -0.06 0.07 0.00 -0.84 0.00 0.00 61.79 61.48 1ubw h SER 113 Cb 1.01 0.14 -0.06 0.00 0.14 0.00 0.00 62.40 63.63 1ubw h SER 113 CO -0.60 -0.26 0.13 -0.07 -1.14 0.00 0.00 176.83 174.90 1ubw h LEU 114 N -0.80 0.09 -0.67 5.07 3.38 0.23 0.32 115.31 122.93 1ubw h LEU 114 Ca -0.06 0.07 0.13 0.00 0.09 0.00 0.00 57.88 58.11 1ubw h LEU 114 Cb 0.56 0.07 -0.13 0.00 0.09 0.00 0.00 40.66 41.26 1ubw h LEU 114 CO 0.11 0.08 -0.21 0.58 0.09 0.00 0.00 178.44 179.08 1ubw h VAL 115 N 0.28 0.27 -0.06 1.22 2.07 -0.52 -1.72 116.25 117.80 1ubw h VAL 115 Ca 0.23 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.58 1ubw h VAL 115 Cb 0.26 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1ubw h VAL 115 CO -0.26 0.00 -0.67 0.00 0.02 0.00 0.00 177.57 176.65 1ubw h ALA 116 N 1.53 0.74 -0.64 1.67 0.00 -0.99 -3.09 119.26 118.49 1ubw h ALA 116 Ca 0.31 -0.59 0.04 0.00 0.00 0.00 0.00 54.91 54.68 1ubw h ALA 116 Cb 0.52 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1ubw h ALA 116 CO -0.71 0.77 0.37 0.22 0.00 0.00 0.00 179.25 179.90 1ubw h ASP 117 N 0.19 0.57 -0.69 0.00 3.58 0.46 -2.30 116.42 118.23 1ubw h ASP 117 Ca -0.02 0.02 0.08 0.00 0.42 0.00 0.00 57.03 57.53 1ubw h ASP 117 Cb 1.21 -0.10 -0.06 0.00 1.72 0.00 0.00 39.33 42.10 1ubw h ASP 117 CO 0.11 0.38 0.36 0.44 -2.88 0.00 0.00 179.24 177.65 1ubw h ASP 118 N 0.70 0.50 -0.24 2.28 3.32 -1.34 0.33 116.42 121.96 1ubw h ASP 118 Ca 0.27 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.31 1ubw h ASP 118 Cb 0.11 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1ubw h ASP 118 CO -0.15 0.30 -0.10 0.40 -1.72 0.00 0.00 179.24 177.98 1ubw h ILE 119 N 0.64 1.30 0.00 0.35 2.04 -1.45 0.43 117.51 120.81 1ubw h ILE 119 Ca 0.33 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1ubw h ILE 119 Cb 0.29 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1ubw h ILE 119 CO -0.23 0.36 0.00 0.23 0.00 0.00 0.00 178.15 178.51 1ubw n MET 120 N -4.51 0.48 0.00 2.37 2.81 -0.71 -2.28 117.12 115.28 1ubw n MET 120 Ca -0.04 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1ubw n MET 120 Cb 0.33 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 1ubw n MET 120 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1ubw n ASP 121 N -1.07 0.52 -2.39 7.83 8.00 0.11 -4.96 116.55 124.59 1ubw n ASP 121 Ca 0.12 -0.80 -0.17 0.00 0.71 0.00 0.00 54.79 54.65 1ubw n ASP 121 Cb 0.08 0.26 -0.01 0.00 -0.02 0.00 0.00 41.12 41.43 1ubw n ASP 121 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ubw n GLN 122 N -0.26 -1.92 -1.27 -1.24 1.13 0.14 -4.92 117.38 109.05 1ubw n GLN 122 Ca 0.00 0.83 -0.29 0.00 -1.94 0.00 0.00 57.00 55.60 1ubw n GLN 122 Cb 0.04 -5.45 0.19 0.00 0.11 0.00 0.00 30.24 25.12 1ubw n GLN 122 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1ubw s SER 123 N -2.05 2.34 0.00 1.08 0.01 -0.73 -5.01 113.70 109.34 1ubw s SER 123 Ca 0.00 0.91 0.00 0.00 1.31 0.00 0.00 55.95 58.17 1ubw s SER 123 Cb 0.00 -1.40 0.00 0.00 0.21 0.00 0.00 66.02 64.83 1ubw s SER 123 CO 0.00 -3.28 0.00 0.18 0.41 0.00 0.00 173.24 170.55 1ubw n LEU 124 N -4.24 1.28 -4.28 2.44 7.99 -1.26 -4.89 117.00 114.05 1ubw n LEU 124 Ca 0.08 0.00 -0.27 0.00 -0.01 0.00 0.00 56.01 55.81 1ubw n LEU 124 Cb 0.59 0.00 -0.14 0.00 -0.11 0.00 0.00 43.42 43.75 1ubw n LEU 124 CO 0.53 0.21 -0.54 -0.89 -1.51 0.00 0.00 177.39 175.20 1ubw s THR 125 N -1.72 1.81 -0.11 -5.08 2.01 -1.26 -1.10 115.64 110.20 1ubw s THR 125 Ca 0.00 -1.23 -0.11 0.00 0.31 0.00 0.00 61.69 60.65 1ubw s THR 125 Cb 0.00 -1.56 0.03 0.00 0.01 0.00 0.00 72.50 70.98 1ubw s THR 125 CO 0.00 0.28 0.32 -0.60 -0.69 0.00 0.00 174.62 173.93 1ubw s ARG 126 N -1.13 0.40 -0.73 4.92 6.06 0.24 -4.83 118.95 123.87 1ubw s ARG 126 Ca 0.09 0.39 -0.13 0.00 -2.50 0.00 0.00 55.73 53.58 1ubw s ARG 126 Cb -0.09 0.19 0.02 0.00 0.06 0.00 0.00 34.95 35.13 1ubw s ARG 126 CO 0.02 -0.06 0.46 0.54 -2.50 0.00 0.00 175.30 173.76 1ubw n ARG 127 N 2.77 -0.78 -1.99 5.12 5.12 -1.26 0.60 116.66 126.25 1ubw n ARG 127 Ca -0.14 0.21 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 1ubw n ARG 127 Cb 0.58 -1.52 0.00 0.00 -1.16 0.00 0.00 32.46 30.36 1ubw n ARG 127 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ubw n GLY 128 N -1.54 -0.36 3.19 -0.13 0.00 -1.26 -4.87 105.19 100.22 1ubw n GLY 128 Ca -0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 1ubw n GLY 128 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ubw s GLN 129 N -3.83 0.91 0.29 1.61 0.00 0.20 -5.11 119.66 113.73 1ubw s GLN 129 Ca 0.00 -1.39 -0.29 0.00 -0.00 0.00 0.00 55.36 53.68 1ubw s GLN 129 Cb 0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 33.01 32.68 1ubw s GLN 129 CO 0.00 -0.04 1.11 -1.17 0.00 0.00 0.00 175.29 175.19 1ubw s LEU 130 N -3.08 4.52 0.35 2.60 2.96 -1.26 -0.60 118.68 124.17 1ubw s LEU 130 Ca 0.15 2.29 -0.27 0.00 -0.22 0.00 0.00 54.13 56.08 1ubw s LEU 130 Cb 0.05 -3.67 -0.12 0.00 0.50 0.00 0.00 46.19 42.95 1ubw s LEU 130 CO -0.02 -0.20 1.09 0.00 -1.32 0.00 0.00 176.35 175.90 1ubw h TRP 132 N 1.98 0.54 -0.81 0.00 2.91 -1.92 -1.91 115.95 116.74 1ubw h TRP 132 Ca -0.43 0.03 0.06 0.00 1.13 0.00 0.00 58.89 59.68 1ubw h TRP 132 Cb 1.32 -0.14 -0.05 0.00 -0.51 0.00 0.00 29.16 29.79 1ubw h TRP 132 CO 0.47 0.15 0.53 0.10 -1.03 0.00 0.00 178.44 178.66 1ubw h TYR 133 N 0.51 0.90 0.00 2.65 -0.00 -1.89 -1.15 116.97 117.98 1ubw h TYR 133 Ca 0.36 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 59.11 1ubw h TYR 133 Cb 0.44 -0.30 0.00 0.00 -0.00 0.00 0.00 36.73 36.87 1ubw h TYR 133 CO -0.14 0.48 0.00 0.87 -0.00 0.00 0.00 178.16 179.38 1ubw h LYS 134 N 0.90 0.00 -6.67 0.10 1.79 -1.68 -0.73 116.57 110.28 1ubw h LYS 134 Ca 0.34 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 58.29 1ubw h LYS 134 Cb 0.20 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 30.91 1ubw h LYS 134 CO -0.12 0.00 0.98 0.15 -1.08 0.00 0.00 179.45 179.38 1ubw s LYS 135 N -3.39 4.14 0.18 3.15 1.02 -0.44 -4.83 119.74 119.56 1ubw s LYS 135 Ca 0.04 2.57 -0.32 0.00 0.02 0.00 0.00 55.97 58.28 1ubw s LYS 135 Cb 0.09 -3.08 -0.10 0.00 -0.52 0.00 0.00 37.83 34.22 1ubw s LYS 135 CO 0.46 -0.71 1.60 -1.21 -0.92 0.00 0.00 175.35 174.56 1ubw s GLU 136 N 0.92 4.19 0.00 1.68 8.01 -1.26 -2.32 118.70 129.92 1ubw s GLU 136 Ca 0.72 2.42 0.00 0.00 0.01 0.00 0.00 54.97 58.12 1ubw s GLU 136 Cb -0.49 -3.13 0.00 0.00 -4.31 0.00 0.00 34.13 26.20 1ubw s GLU 136 CO 0.34 -0.63 0.00 0.41 0.01 0.00 0.00 175.26 175.39 1ubw n GLY 137 N 3.72 2.73 0.00 -1.39 0.00 -1.26 -4.94 105.19 104.04 1ubw n GLY 137 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1ubw n GLY 137 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ubw n VAL 138 N -1.35 0.00 -4.13 1.61 0.31 -0.98 -4.99 118.33 108.80 1ubw n VAL 138 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ubw n VAL 138 Cb 0.00 -0.24 0.00 0.00 -0.91 0.00 0.00 33.84 32.69 1ubw n VAL 138 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ubw n GLY 139 N 3.04 0.59 0.20 2.92 0.00 -0.28 -3.44 105.19 108.21 1ubw n GLY 139 Ca 0.00 -0.88 0.14 0.00 0.00 0.00 0.00 46.02 45.28 1ubw n GLY 139 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ubw h LEU 140 N 0.00 0.00 -2.80 0.99 4.07 -1.96 -2.51 115.31 113.09 1ubw h LEU 140 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 1ubw h LEU 140 Cb 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.74 1ubw h LEU 140 CO 0.00 0.00 -0.00 0.44 -1.08 0.00 0.00 178.44 177.80 1ubw h ASP 141 N 0.00 0.00 0.37 -0.43 5.19 -1.94 0.67 116.42 120.28 1ubw h ASP 141 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1ubw h ASP 141 Cb 0.11 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.62 1ubw h ASP 141 CO 0.00 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.12 1ubw n ALA 142 N -2.08 1.40 0.04 3.45 0.00 -0.95 -1.82 120.51 120.56 1ubw n ALA 142 Ca -0.03 0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.35 1ubw n ALA 142 Cb 0.10 -1.26 -0.08 0.00 0.00 0.00 0.00 19.45 18.21 1ubw n ALA 142 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1ubw h ILE 143 N 0.00 1.05 0.00 0.00 2.04 -1.09 -0.43 117.51 119.08 1ubw h ILE 143 Ca 0.00 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1ubw h ILE 143 Cb 0.19 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1ubw h ILE 143 CO 0.00 0.05 0.00 -3.20 0.00 0.00 0.00 178.15 175.00 1ubw n ASN 144 N -5.06 0.47 -0.00 1.72 5.15 -0.75 -2.72 115.26 114.07 1ubw n ASN 144 Ca -0.07 0.61 -0.05 0.00 -0.60 0.00 0.00 54.58 54.46 1ubw n ASN 144 Cb 0.08 -0.71 -0.12 0.00 -0.53 0.00 0.00 39.78 38.50 1ubw n ASN 144 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1ubw n ASP 145 N -2.01 0.87 -0.03 1.20 8.00 -0.87 -2.83 116.55 120.88 1ubw n ASP 145 Ca 0.03 0.40 -0.10 0.00 0.71 0.00 0.00 54.79 55.83 1ubw n ASP 145 Cb 0.23 0.03 0.06 0.00 -0.02 0.00 0.00 41.12 41.41 1ubw n ASP 145 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1ubw h SER 146 N 0.00 0.70 0.03 -2.24 0.87 -0.89 -2.48 113.55 109.54 1ubw h SER 146 Ca -0.24 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 59.99 1ubw h SER 146 Cb 1.84 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 63.60 1ubw h SER 146 CO 0.07 1.05 -0.02 -0.26 -0.53 0.00 0.00 176.83 177.14 1ubw h PHE 147 N 0.52 -0.06 -0.05 2.24 0.04 -1.54 -1.27 116.94 116.83 1ubw h PHE 147 Ca 0.03 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.82 1ubw h PHE 147 Cb 1.00 0.02 -0.00 0.00 2.20 0.00 0.00 35.95 39.17 1ubw h PHE 147 CO 0.05 -0.04 0.07 -0.07 -0.60 0.00 0.00 178.31 177.71 1ubw h LEU 148 N -0.05 0.00 -0.03 1.54 3.38 -1.50 0.38 115.31 119.02 1ubw h LEU 148 Ca 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 1ubw h LEU 148 Cb 0.05 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.82 1ubw h LEU 148 CO -0.00 0.00 -1.05 -0.07 0.09 0.00 0.00 178.44 177.41 1ubw h LEU 149 N 0.00 0.80 -0.68 1.67 3.38 -0.85 -2.09 115.31 117.54 1ubw h LEU 149 Ca 0.02 -0.66 -0.11 0.00 0.09 0.00 0.00 57.88 57.23 1ubw h LEU 149 Cb 0.15 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1ubw h LEU 149 CO -0.00 1.46 -0.16 -0.08 0.09 0.00 0.00 178.44 179.76 1ubw h GLU 150 N 0.33 0.86 -0.54 1.13 4.81 0.25 -2.26 114.58 119.16 1ubw h GLU 150 Ca -0.13 -0.32 -0.07 0.00 -0.13 0.00 0.00 59.36 58.72 1ubw h GLU 150 Cb 1.70 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 31.01 1ubw h GLU 150 CO 0.20 0.96 0.06 0.77 -0.73 0.00 0.00 179.01 180.27 1ubw h SER 151 N 0.76 0.84 -0.27 1.04 0.02 -0.27 -2.97 113.55 112.70 1ubw h SER 151 Ca 0.12 -0.19 0.08 0.00 -0.84 0.00 0.00 61.79 60.96 1ubw h SER 151 Cb 0.68 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 1ubw h SER 151 CO 0.05 0.86 0.25 0.28 -1.14 0.00 0.00 176.83 177.13 1ubw h SER 152 N 0.83 0.00 -0.24 3.07 0.02 -0.75 -2.66 113.55 113.82 1ubw h SER 152 Ca 0.17 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 1ubw h SER 152 Cb 0.41 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1ubw h SER 152 CO 0.01 0.00 -0.03 0.58 -1.14 0.00 0.00 176.83 176.25 1ubw h VAL 153 N 0.00 1.27 0.00 2.27 2.07 -1.57 -1.89 116.25 118.40 1ubw h VAL 153 Ca 0.13 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1ubw h VAL 153 Cb 0.62 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1ubw h VAL 153 CO -0.00 0.31 0.00 -1.22 0.02 0.00 0.00 177.57 176.68 1ubw n TYR 154 N -4.60 0.59 0.13 1.57 4.01 -1.04 -2.02 117.16 115.79 1ubw n TYR 154 Ca -0.04 0.18 -0.21 0.00 -0.16 0.00 0.00 57.90 57.67 1ubw n TYR 154 Cb 0.27 -0.79 -0.15 0.00 -0.31 0.00 0.00 39.34 38.36 1ubw n TYR 154 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ubw h ARG 155 N 0.00 0.42 0.00 -0.72 3.08 -1.22 -2.59 114.38 113.35 1ubw h ARG 155 Ca 0.00 -0.71 -0.10 0.00 0.07 0.00 0.00 59.98 59.24 1ubw h ARG 155 Cb 0.60 0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 1ubw h ARG 155 CO 0.00 1.34 -0.46 0.28 -1.07 0.00 0.00 179.97 180.06 1ubw h VAL 156 N 0.11 0.88 -0.03 2.04 2.07 -1.15 -1.92 116.25 118.26 1ubw h VAL 156 Ca -0.20 -1.93 -0.03 0.00 0.82 0.00 0.00 66.70 65.35 1ubw h VAL 156 Cb 2.08 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 34.06 1ubw h VAL 156 CO 0.24 0.45 -0.10 -0.07 0.02 0.00 0.00 177.57 178.11 1ubw h LEU 157 N 0.00 0.14 -0.35 2.57 3.38 -1.40 -1.94 115.31 117.73 1ubw h LEU 157 Ca -0.00 -0.63 0.07 0.00 0.09 0.00 0.00 57.88 57.41 1ubw h LEU 157 Cb 1.17 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.81 1ubw h LEU 157 CO 0.06 0.75 -0.16 0.50 0.09 0.00 0.00 178.44 179.68 1ubw h LYS 158 N -0.45 -0.10 -0.53 1.13 3.64 -1.46 -0.78 116.57 118.02 1ubw h LYS 158 Ca -0.00 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.49 1ubw h LYS 158 Cb 0.74 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.49 1ubw h LYS 158 CO 0.02 -0.07 0.01 -0.22 -2.27 0.00 0.00 179.45 176.93 1ubw h LYS 159 N -0.10 0.13 -0.17 1.90 1.63 -1.19 -2.82 116.57 115.94 1ubw h LYS 159 Ca 0.17 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 1ubw h LYS 159 Cb 0.37 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1ubw h LYS 159 CO -0.41 0.08 0.00 0.66 -3.45 0.00 0.00 179.45 176.33 1ubw n TYR 160 N -5.23 0.22 -1.13 1.91 4.02 -0.74 -4.70 117.16 111.50 1ubw n TYR 160 Ca 0.06 -0.17 0.00 0.00 -0.01 0.00 0.00 57.90 57.79 1ubw n TYR 160 Cb 0.29 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.60 1ubw n TYR 160 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ubw h ARG 162 N 0.00 0.00 -2.30 0.00 2.47 -1.51 -1.31 114.38 111.73 1ubw h ARG 162 Ca 0.00 0.00 -0.64 0.00 -1.26 0.00 0.00 59.98 58.08 1ubw h ARG 162 Cb 0.46 0.00 -0.39 0.00 -1.65 0.00 0.00 29.97 28.39 1ubw h ARG 162 CO 0.00 0.00 -0.28 0.00 0.56 0.00 0.00 179.97 180.25 1ubw n GLN 163 N -3.84 3.52 -3.99 0.04 10.64 -1.26 -4.93 117.38 117.56 1ubw n GLN 163 Ca 0.24 -4.78 -0.12 0.00 -1.83 0.00 0.00 57.00 50.51 1ubw n GLN 163 Cb 1.30 -2.30 -0.13 0.00 -0.86 0.00 0.00 30.24 28.26 1ubw n GLN 163 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1ubw s ARG 164 N -3.36 0.26 0.65 2.61 1.81 -0.49 -5.02 118.95 115.41 1ubw s ARG 164 Ca 0.44 -0.36 0.40 0.00 -1.72 0.00 0.00 55.73 54.50 1ubw s ARG 164 Cb 0.22 -0.08 2.24 0.00 -0.45 0.00 0.00 34.95 36.88 1ubw s ARG 164 CO -0.10 0.01 2.30 -1.00 -0.68 0.00 0.00 175.30 175.84 1ubw h PRO 165 N 5.35 0.00 -0.00 3.54 0.13 -1.94 -2.36 132.00 136.72 1ubw h PRO 165 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1ubw h PRO 165 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ubw h PRO 165 CO 0.46 0.00 -0.45 2.48 -0.23 0.00 0.00 178.00 180.25 1ubw n TYR 166 N -3.21 0.00 -0.29 1.56 0.18 -1.26 -4.50 117.16 109.63 1ubw n TYR 166 Ca -0.03 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 59.68 1ubw n TYR 166 Cb 0.11 -0.24 -0.07 0.00 -0.38 0.00 0.00 39.34 38.77 1ubw n TYR 166 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 1ubw n TYR 167 N -1.38 -0.30 0.23 -3.48 9.36 -0.89 0.22 117.16 120.92 1ubw n TYR 167 Ca 0.06 0.87 0.07 0.00 3.32 0.00 0.00 57.90 62.22 1ubw n TYR 167 Cb 0.34 -0.56 0.53 0.00 -0.63 0.00 0.00 39.34 39.02 1ubw n TYR 167 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1ubw h VAL 168 N 0.00 1.02 -0.05 2.97 2.07 -1.84 -2.05 116.25 118.37 1ubw h VAL 168 Ca 0.12 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1ubw h VAL 168 Cb 0.29 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1ubw h VAL 168 CO -0.66 0.19 -0.01 0.45 0.02 0.00 0.00 177.57 177.56 1ubw h HIS 169 N 0.00 0.10 -0.34 1.57 3.86 -0.52 -2.23 115.15 117.59 1ubw h HIS 169 Ca -0.00 -0.02 0.08 0.00 -1.16 0.00 0.00 60.37 59.26 1ubw h HIS 169 Cb 0.37 -0.03 -0.08 0.00 1.06 0.00 0.00 27.41 28.73 1ubw h HIS 169 CO 0.00 0.44 -0.22 -0.07 0.86 0.00 0.00 177.93 178.94 1ubw h LEU 170 N -0.26 -0.72 -0.22 2.43 3.38 -1.29 0.45 115.31 119.08 1ubw h LEU 170 Ca 0.01 0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.19 1ubw h LEU 170 Cb 0.40 0.37 -0.07 0.00 0.09 0.00 0.00 40.66 41.45 1ubw h LEU 170 CO 0.00 -0.25 -0.25 -0.07 0.09 0.00 0.00 178.44 177.96 1ubw h LEU 171 N -0.17 -0.81 -1.20 1.67 4.07 -1.31 0.19 115.31 117.75 1ubw h LEU 171 Ca 0.17 0.14 -0.03 0.00 0.08 0.00 0.00 57.88 58.24 1ubw h LEU 171 Cb 0.44 0.37 -0.02 0.00 1.08 0.00 0.00 40.66 42.53 1ubw h LEU 171 CO -0.44 -0.29 0.18 -0.33 -1.08 0.00 0.00 178.44 176.47 1ubw h GLU 172 N -0.28 0.74 -0.23 1.13 5.08 -0.86 -0.23 114.58 119.94 1ubw h GLU 172 Ca 0.13 -0.12 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 1ubw h GLU 172 Cb 0.47 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1ubw h GLU 172 CO -0.38 0.63 -0.40 1.25 -1.00 0.00 0.00 179.01 179.12 1ubw h LEU 173 N 0.73 0.74 0.08 1.33 5.85 0.15 -1.84 115.31 122.34 1ubw h LEU 173 Ca 0.17 -0.53 -0.00 0.00 0.84 0.00 0.00 57.88 58.35 1ubw h LEU 173 Cb 0.18 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1ubw h LEU 173 CO -0.01 1.13 -0.04 -0.26 -0.34 0.00 0.00 178.44 178.92 1ubw h PHE 174 N 0.37 -0.10 -0.73 1.25 -1.00 -0.29 -2.30 116.94 114.14 1ubw h PHE 174 Ca 0.01 -0.00 0.11 0.00 2.81 0.00 0.00 57.97 60.90 1ubw h PHE 174 Cb 0.99 0.03 -0.08 0.00 3.61 0.00 0.00 35.95 40.51 1ubw h PHE 174 CO 0.08 0.15 0.34 -0.07 -1.61 0.00 0.00 178.31 177.21 1ubw h LEU 175 N -0.34 0.42 -0.28 1.54 -0.00 -1.09 -1.47 115.31 114.08 1ubw h LEU 175 Ca -0.01 0.07 -0.05 0.00 -0.00 0.00 0.00 57.88 57.89 1ubw h LEU 175 Cb 0.30 0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 40.95 1ubw h LEU 175 CO 0.02 0.22 -0.01 -0.61 -0.00 0.00 0.00 178.44 178.06 1ubw h GLN 176 N 0.56 0.50 0.00 1.13 5.75 -1.25 -1.54 115.11 120.27 1ubw h GLN 176 Ca 0.37 -0.17 -0.02 0.00 -0.15 0.00 0.00 58.65 58.68 1ubw h GLN 176 Cb 0.44 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.95 1ubw h GLN 176 CO -0.30 0.67 -0.11 1.79 -2.65 0.00 0.00 178.83 178.22 1ubw h THR 177 N 0.28 0.54 -0.27 2.39 1.35 -1.15 0.52 112.91 116.56 1ubw h THR 177 Ca 0.08 -0.52 -0.07 0.00 -0.55 0.00 0.00 66.41 65.35 1ubw h THR 177 Cb 0.45 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 68.21 1ubw h THR 177 CO 0.02 0.11 -0.10 0.00 -0.25 0.00 0.00 175.52 175.30 1ubw h ALA 178 N 1.89 0.38 -0.72 6.62 0.00 -0.27 -2.12 119.26 125.04 1ubw h ALA 178 Ca -0.00 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1ubw h ALA 178 Cb 0.33 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1ubw h ALA 178 CO 0.01 0.23 0.48 -0.92 0.00 0.00 0.00 179.25 179.05 1ubw h TYR 179 N 0.30 0.90 0.00 0.00 3.20 -0.76 -2.37 116.97 118.23 1ubw h TYR 179 Ca 0.07 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 1ubw h TYR 179 Cb 0.60 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 1ubw h TYR 179 CO 0.06 0.56 -0.35 1.96 -1.64 0.00 0.00 178.16 178.74 1ubw h GLN 180 N 0.96 0.00 -0.05 1.82 4.20 -0.61 -2.71 115.11 118.72 1ubw h GLN 180 Ca 0.27 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.78 1ubw h GLN 180 Cb -0.09 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 1ubw h GLN 180 CO -0.07 0.35 -0.79 1.79 -0.67 0.00 0.00 178.83 179.44 1ubw h THR 181 N 0.00 1.39 -0.50 -0.54 1.35 -1.03 -2.00 112.91 111.58 1ubw h THR 181 Ca -0.00 -2.25 -0.02 0.00 -0.55 0.00 0.00 66.41 63.58 1ubw h THR 181 Cb 0.73 2.21 -0.02 0.00 -1.73 0.00 0.00 68.15 69.34 1ubw h THR 181 CO 0.05 0.67 0.22 -0.33 -0.25 0.00 0.00 175.52 175.88 1ubw h GLU 182 N 0.25 0.73 -0.24 4.72 5.08 -1.38 0.77 114.58 124.51 1ubw h GLU 182 Ca -0.04 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1ubw h GLU 182 Cb 1.39 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1ubw h GLU 182 CO 0.14 0.63 0.15 -0.07 -1.00 0.00 0.00 179.01 178.85 1ubw h LEU 183 N 0.67 0.25 -1.20 1.33 3.38 -1.44 0.84 115.31 119.14 1ubw h LEU 183 Ca 0.17 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1ubw h LEU 183 Cb 0.15 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1ubw h LEU 183 CO -0.02 0.18 0.54 1.23 0.09 0.00 0.00 178.44 180.47 1ubw h GLY 184 N 0.31 1.15 1.14 0.83 0.00 -0.71 0.28 103.07 106.08 1ubw h GLY 184 Ca 0.09 -0.43 -0.12 0.00 0.00 0.00 0.00 47.33 46.87 1ubw h GLY 184 CO -0.03 0.41 -0.16 -1.61 0.00 0.00 0.00 176.54 175.15 1ubw h GLN 185 N 1.10 0.99 -0.10 4.80 5.75 0.25 -2.73 115.11 125.16 1ubw h GLN 185 Ca 0.30 -0.39 0.04 0.00 -0.15 0.00 0.00 58.65 58.46 1ubw h GLN 185 Cb -0.11 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.33 1ubw h GLN 185 CO -0.07 1.07 -0.25 1.98 -2.65 0.00 0.00 178.83 178.91 1ubw h MET 186 N 0.86 -0.32 -0.43 1.69 4.05 0.26 0.34 114.93 121.39 1ubw h MET 186 Ca 0.12 0.02 0.13 0.00 -0.28 0.00 0.00 59.70 59.69 1ubw h MET 186 Cb 0.73 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.59 1ubw h MET 186 CO 0.06 -0.21 0.32 -0.07 0.23 0.00 0.00 176.91 177.23 1ubw h LEU 187 N -0.33 0.00 0.25 3.39 4.07 -1.06 0.58 115.31 122.21 1ubw h LEU 187 Ca 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.04 1ubw h LEU 187 Cb 0.47 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.21 1ubw h LEU 187 CO -0.29 0.00 -0.12 -0.78 -1.08 0.00 0.00 178.44 176.17 1ubw h ASP 188 N 0.00 -0.28 -0.57 -0.43 3.58 -0.67 -0.72 116.42 117.33 1ubw h ASP 188 Ca 0.20 0.01 0.05 0.00 0.42 0.00 0.00 57.03 57.72 1ubw h ASP 188 Cb 0.84 0.07 -0.07 0.00 1.72 0.00 0.00 39.33 41.89 1ubw h ASP 188 CO -0.00 0.08 -0.34 0.18 -2.88 0.00 0.00 179.24 176.28 1ubw n LEU 189 N -4.49 -0.61 -0.31 2.28 4.32 0.99 0.88 117.00 120.07 1ubw n LEU 189 Ca -0.04 1.19 -0.03 0.00 -0.02 0.00 0.00 56.01 57.10 1ubw n LEU 189 Cb 0.13 -0.22 0.11 0.00 -1.62 0.00 0.00 43.42 41.83 1ubw n LEU 189 CO 0.10 -0.91 1.17 0.40 -1.22 0.00 0.00 177.39 176.93 1ubw h ILE 190 N 0.00 1.25 0.31 -0.08 2.04 -1.06 -3.33 117.51 116.65 1ubw h ILE 190 Ca 0.09 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 1ubw h ILE 190 Cb 0.23 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1ubw h ILE 190 CO -0.54 0.28 -0.15 0.74 0.00 0.00 0.00 178.15 178.49 1ubw h THR 191 N 1.22 0.29 -3.54 -0.27 2.02 0.21 -3.42 112.91 109.41 1ubw h THR 191 Ca 0.31 -0.78 -0.68 0.00 0.77 0.00 0.00 66.41 66.03 1ubw h THR 191 Cb 0.03 0.48 -0.37 0.00 -1.74 0.00 0.00 68.15 66.54 1ubw h THR 191 CO -0.05 0.07 -0.58 0.00 0.37 0.00 0.00 175.52 175.33 1ubw s ALA 192 N -3.84 3.18 0.23 6.16 0.00 -0.33 -4.89 121.76 122.27 1ubw s ALA 192 Ca -0.09 -2.78 -0.25 0.00 0.00 0.00 0.00 51.96 48.83 1ubw s ALA 192 Cb 0.01 -2.28 -0.09 0.00 0.00 0.00 0.00 23.12 20.76 1ubw s ALA 192 CO 0.31 -1.86 0.84 -2.14 0.00 0.00 0.00 175.76 172.92 1ubw s PRO 193 N 0.63 4.57 -0.92 0.00 0.02 -1.26 -4.72 135.00 133.32 1ubw s PRO 193 Ca 0.12 1.21 -0.04 0.00 0.02 0.00 0.00 61.00 62.31 1ubw s PRO 193 Cb -0.22 -3.08 0.14 0.00 0.02 0.00 0.00 34.50 31.36 1ubw s PRO 193 CO -0.05 0.46 2.44 1.33 -0.33 0.00 0.00 177.00 180.85 1ubw n VAL 194 N 1.16 4.50 0.00 3.83 0.24 -1.26 -3.19 118.33 123.61 1ubw n VAL 194 Ca -0.02 -4.03 0.00 0.00 -2.04 0.00 0.00 64.34 58.25 1ubw n VAL 194 Cb 0.49 -1.76 0.00 0.00 -1.47 0.00 0.00 33.84 31.10 1ubw n VAL 194 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1ubw n SER 195 N 1.00 0.00 0.00 -1.34 3.41 -1.26 -5.03 113.62 110.41 1ubw n SER 195 Ca 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 1ubw n SER 195 Cb 0.36 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 1ubw n SER 195 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ubw n LYS 196 N 0.00 0.00 0.38 4.33 4.76 -1.19 -5.11 118.16 121.33 1ubw n LYS 196 Ca 0.00 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.26 1ubw n LYS 196 Cb 0.00 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.10 1ubw n LYS 196 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1ubw h VAL 197 N 0.00 0.00 0.00 -0.18 2.07 -1.89 -3.34 116.25 112.90 1ubw h VAL 197 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1ubw h VAL 197 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1ubw h VAL 197 CO 0.00 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.06 1ubw n ASP 198 N -5.39 0.00 -0.46 0.57 8.00 -1.26 -4.89 116.55 113.12 1ubw n ASP 198 Ca -0.13 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.50 1ubw n ASP 198 Cb 0.47 0.00 0.53 0.00 -0.02 0.00 0.00 41.12 42.10 1ubw n ASP 198 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ubw n LEU 199 N 0.83 1.42 -0.01 0.64 4.77 -1.26 -4.45 117.00 118.95 1ubw n LEU 199 Ca 0.00 -0.49 -0.10 0.00 -0.03 0.00 0.00 56.01 55.39 1ubw n LEU 199 Cb 0.00 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 1ubw n LEU 199 CO 0.00 0.24 0.83 0.77 -1.33 0.00 0.00 177.39 177.91 1ubw h SER 200 N 2.19 -0.16 0.61 -1.43 4.64 -1.98 -2.87 113.55 114.55 1ubw h SER 200 Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1ubw h SER 200 Cb 0.47 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1ubw h SER 200 CO 0.00 -0.06 -0.24 1.41 -0.87 0.00 0.00 176.83 177.07 1ubw n HIS 201 N -5.18 0.00 -2.18 4.77 8.25 -1.26 -4.49 115.22 115.13 1ubw n HIS 201 Ca -0.04 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.09 1ubw n HIS 201 Cb 0.11 -0.30 -0.04 0.00 1.12 0.00 0.00 29.99 30.87 1ubw n HIS 201 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1ubw s PHE 202 N -2.84 1.94 0.22 4.41 0.40 -1.08 -4.78 117.98 116.25 1ubw s PHE 202 Ca 0.17 0.34 0.11 0.00 -0.60 0.00 0.00 56.93 56.95 1ubw s PHE 202 Cb 0.19 -4.22 -0.05 0.00 0.51 0.00 0.00 43.02 39.45 1ubw s PHE 202 CO 0.58 -1.94 -0.21 -1.54 0.70 0.00 0.00 175.22 172.81 1ubw s SER 203 N 7.15 3.33 0.09 1.36 1.04 -1.26 -4.90 113.70 120.51 1ubw s SER 203 Ca 0.62 -0.94 -0.22 0.00 0.48 0.00 0.00 55.95 55.89 1ubw s SER 203 Cb -0.07 -0.25 -0.14 0.00 0.10 0.00 0.00 66.02 65.67 1ubw s SER 203 CO 0.04 0.05 1.72 -0.08 0.98 0.00 0.00 173.24 175.95 1ubw h GLU 204 N 2.83 0.05 -0.51 4.02 4.81 -1.90 0.41 114.58 124.30 1ubw h GLU 204 Ca -0.43 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 58.84 1ubw h GLU 204 Cb 1.23 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.55 1ubw h GLU 204 CO 0.54 0.06 0.25 0.93 -0.73 0.00 0.00 179.01 180.05 1ubw h GLU 205 N 0.03 0.47 0.58 1.92 4.39 -1.97 0.30 114.58 120.30 1ubw h GLU 205 Ca 0.01 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1ubw h GLU 205 Cb 0.02 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1ubw h GLU 205 CO -0.00 0.31 -0.28 -0.09 -1.16 0.00 0.00 179.01 177.79 1ubw h ARG 206 N 0.48 -0.75 -0.42 2.33 9.65 -1.81 0.57 114.38 124.44 1ubw h ARG 206 Ca 0.23 0.05 0.09 0.00 -1.10 0.00 0.00 59.98 59.24 1ubw h ARG 206 Cb 0.15 0.17 -0.09 0.00 -1.39 0.00 0.00 29.97 28.81 1ubw h ARG 206 CO -0.17 -0.47 -0.19 -0.92 2.80 0.00 0.00 179.97 181.02 1ubw h TYR 207 N -0.87 -0.47 -0.20 2.20 3.20 -0.64 0.25 116.97 120.44 1ubw h TYR 207 Ca -0.08 0.05 0.04 0.00 3.14 0.00 0.00 58.73 61.88 1ubw h TYR 207 Cb 0.63 0.27 -0.04 0.00 1.54 0.00 0.00 36.73 39.13 1ubw h TYR 207 CO -0.02 -0.27 -0.09 0.87 -1.64 0.00 0.00 178.16 177.01 1ubw h LYS 208 N -0.11 -0.06 0.00 1.82 1.57 -0.06 -1.51 116.57 118.22 1ubw h LYS 208 Ca 0.20 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 1ubw h LYS 208 Cb 0.42 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 1ubw h LYS 208 CO -0.49 -0.04 -0.11 0.00 -0.57 0.00 0.00 179.45 178.24 1ubw h ALA 209 N 1.12 1.17 0.31 3.86 0.00 0.75 -1.46 119.26 125.01 1ubw h ALA 209 Ca 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ubw h ALA 209 Cb 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ubw h ALA 209 CO -0.24 0.14 -0.15 0.82 0.00 0.00 0.00 179.25 179.82 1ubw h ILE 210 N 0.00 0.71 -0.14 0.00 2.04 0.38 -2.90 117.51 117.60 1ubw h ILE 210 Ca -0.00 -0.55 0.02 0.00 1.00 0.00 0.00 64.86 65.33 1ubw h ILE 210 Cb 0.40 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1ubw h ILE 210 CO 0.01 0.11 0.04 0.58 0.00 0.00 0.00 178.15 178.89 1ubw h VAL 211 N -0.72 0.95 -0.28 1.67 2.07 -0.76 0.19 116.25 119.37 1ubw h VAL 211 Ca -0.04 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.49 1ubw h VAL 211 Cb 0.49 0.84 -0.08 0.00 -1.52 0.00 0.00 31.29 31.02 1ubw h VAL 211 CO 0.07 0.02 -0.51 0.50 0.02 0.00 0.00 177.57 177.67 1ubw h LYS 212 N 0.10 -0.45 -0.01 1.57 3.64 -1.35 -2.07 116.57 118.00 1ubw h LYS 212 Ca 0.06 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1ubw h LYS 212 Cb 0.05 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1ubw h LYS 212 CO -0.08 -0.30 -0.01 1.88 -2.27 0.00 0.00 179.45 178.68 1ubw h TYR 213 N -0.46 0.03 0.00 1.91 -1.99 -1.38 -3.14 116.97 111.94 1ubw h TYR 213 Ca 0.07 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.79 1ubw h TYR 213 Cb 0.63 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.35 1ubw h TYR 213 CO -0.63 0.49 0.00 -0.22 -0.00 0.00 0.00 178.16 177.80 1ubw h LYS 214 N -0.43 0.00 0.00 4.88 3.64 -0.57 -3.19 116.57 120.90 1ubw h LYS 214 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ubw h LYS 214 Cb 0.48 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1ubw h LYS 214 CO 0.00 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.43 1ubw n THR 215 N -2.55 0.00 -0.10 1.00 -2.24 -0.82 -4.82 114.28 104.73 1ubw n THR 215 Ca 0.04 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.72 1ubw n THR 215 Cb 0.38 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.57 1ubw n THR 215 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ubw h ALA 216 N 0.00 -0.36 0.86 6.98 0.00 -1.40 0.34 119.26 125.69 1ubw h ALA 216 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1ubw h ALA 216 Cb 0.00 0.81 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1ubw h ALA 216 CO 0.00 -0.82 -0.42 0.74 0.00 0.00 0.00 179.25 178.75 1ubw h PHE 217 N -0.32 -1.09 -0.34 0.00 0.04 -1.80 -0.91 116.94 112.52 1ubw h PHE 217 Ca 0.14 -0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.83 1ubw h PHE 217 Cb 0.57 0.36 -0.02 0.00 2.20 0.00 0.00 35.95 39.07 1ubw h PHE 217 CO -0.57 -0.68 -0.05 0.10 -0.60 0.00 0.00 178.31 176.51 1ubw h TYR 218 N -1.17 0.57 0.00 -0.55 -0.00 -1.82 -0.51 116.97 113.49 1ubw h TYR 218 Ca -0.12 -0.07 -0.21 0.00 -0.00 0.00 0.00 58.73 58.33 1ubw h TYR 218 Cb 0.90 -0.16 -0.03 0.00 -0.00 0.00 0.00 36.73 37.44 1ubw h TYR 218 CO -0.02 0.59 -1.06 0.77 -0.00 0.00 0.00 178.16 178.44 1ubw h SER 219 N 0.51 0.00 0.00 0.10 0.02 -0.32 -3.41 113.55 110.46 1ubw h SER 219 Ca 0.10 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1ubw h SER 219 Cb 0.41 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 1ubw h SER 219 CO 0.02 0.93 -0.65 0.49 -1.14 0.00 0.00 176.83 176.48 1ubw n PHE 220 N -3.27 0.00 0.32 3.45 3.01 -0.35 -4.77 117.46 115.84 1ubw n PHE 220 Ca -0.03 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.29 1ubw n PHE 220 Cb 0.93 -0.01 -0.07 0.00 -0.01 0.00 0.00 39.48 40.32 1ubw n PHE 220 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 1ubw h TYR 221 N -0.01 -0.77 -1.00 1.38 3.20 -1.42 -3.26 116.97 115.09 1ubw h TYR 221 Ca -0.01 -0.02 0.32 0.00 3.14 0.00 0.00 58.73 62.16 1ubw h TYR 221 Cb 0.64 0.25 -0.18 0.00 1.54 0.00 0.00 36.73 38.98 1ubw h TYR 221 CO -0.00 -0.43 0.18 1.25 -1.64 0.00 0.00 178.16 177.52 1ubw h LEU 222 N -1.11 -0.24 -0.28 2.82 5.85 -1.32 0.42 115.31 121.45 1ubw h LEU 222 Ca -0.08 0.28 -0.18 0.00 0.84 0.00 0.00 57.88 58.73 1ubw h LEU 222 Cb 0.68 0.43 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1ubw h LEU 222 CO 0.14 -0.39 -0.54 1.55 -0.34 0.00 0.00 178.44 178.86 1ubw h PRO 223 N 0.00 0.87 0.02 5.25 0.13 -1.80 -1.72 132.00 134.75 1ubw h PRO 223 Ca 0.68 -0.56 -0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1ubw h PRO 223 Cb 1.55 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.75 1ubw h PRO 223 CO -0.88 1.19 -0.01 0.28 -0.23 0.00 0.00 178.00 178.35 1ubw h VAL 224 N 0.65 1.43 -1.03 1.56 2.07 -1.35 -3.09 116.25 116.49 1ubw h VAL 224 Ca 0.01 -1.40 0.26 0.00 0.82 0.00 0.00 66.70 66.39 1ubw h VAL 224 Cb 1.15 2.37 -0.09 0.00 -1.52 0.00 0.00 31.29 33.20 1ubw h VAL 224 CO 0.12 0.36 0.67 0.00 0.02 0.00 0.00 177.57 178.73 1ubw h ALA 225 N 0.33 2.25 0.00 1.67 0.00 -0.99 0.12 119.26 122.64 1ubw h ALA 225 Ca -0.00 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1ubw h ALA 225 Cb 0.60 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1ubw h ALA 225 CO 0.00 -0.63 -0.56 0.00 0.00 0.00 0.00 179.25 178.06 1ubw h ALA 226 N 1.61 1.08 0.00 0.00 0.00 -1.23 -1.08 119.26 119.64 1ubw h ALA 226 Ca 0.58 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ubw h ALA 226 Cb 1.48 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1ubw h ALA 226 CO -0.27 0.70 -0.25 0.00 0.00 0.00 0.00 179.25 179.42 1ubw n ALA 227 N -2.43 2.58 -0.00 0.00 0.00 0.21 -1.50 120.51 119.36 1ubw n ALA 227 Ca -0.01 -0.13 -0.06 0.00 0.00 0.00 0.00 53.44 53.24 1ubw n ALA 227 Cb 0.57 -1.34 -0.05 0.00 0.00 0.00 0.00 19.45 18.63 1ubw n ALA 227 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1ubw h MET 228 N 0.00 -0.11 -0.62 0.00 2.86 -0.04 -2.48 114.93 114.55 1ubw h MET 228 Ca 0.00 0.01 0.15 0.00 -2.06 0.00 0.00 59.70 57.80 1ubw h MET 228 Cb 0.72 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.37 1ubw h MET 228 CO 0.00 0.20 0.43 1.88 1.06 0.00 0.00 176.91 180.48 1ubw h TYR 229 N -0.99 0.17 -0.12 -0.22 0.05 -1.27 -0.66 116.97 113.93 1ubw h TYR 229 Ca -0.01 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.62 1ubw h TYR 229 Cb 0.36 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 1ubw h TYR 229 CO 0.07 0.07 -0.59 0.52 -1.05 0.00 0.00 178.16 177.19 1ubw h MET 230 N 0.15 0.40 -0.00 4.88 2.86 -1.24 -2.66 114.93 119.31 1ubw h MET 230 Ca 0.30 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1ubw h MET 230 Cb 0.96 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.66 1ubw h MET 230 CO -0.04 0.87 -0.07 1.33 1.06 0.00 0.00 176.91 180.05 1ubw n VAL 231 N -3.91 0.00 0.00 -2.22 0.24 -0.34 -4.91 118.33 107.19 1ubw n VAL 231 Ca -0.03 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1ubw n VAL 231 Cb 0.61 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.77 1ubw n VAL 231 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ubw n GLY 232 N 1.25 0.81 3.48 7.63 0.00 -0.73 -5.03 105.19 112.60 1ubw n GLY 232 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1ubw n GLY 232 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ubw s ILE 233 N -2.00 4.47 -0.26 -0.61 1.01 -0.71 -4.80 121.20 118.31 1ubw s ILE 233 Ca 0.00 -1.16 0.12 0.00 0.00 0.00 0.00 60.65 59.61 1ubw s ILE 233 Cb 0.00 -4.82 0.56 0.00 0.01 0.00 0.00 42.46 38.21 1ubw s ILE 233 CO 0.00 -1.60 1.52 -0.90 0.00 0.00 0.00 174.94 173.97 1ubw n ASP 234 N 7.28 3.49 -4.69 3.58 5.75 -1.26 -3.84 116.55 126.87 1ubw n ASP 234 Ca 0.21 -3.36 -0.42 0.00 -0.01 0.00 0.00 54.79 51.20 1ubw n ASP 234 Cb 0.49 -0.62 -0.03 0.00 -1.03 0.00 0.00 41.12 39.93 1ubw n ASP 234 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1ubw s SER 235 N -2.00 7.19 0.33 -1.12 1.04 -1.26 -4.93 113.70 112.95 1ubw s SER 235 Ca 0.46 1.68 0.08 0.00 0.48 0.00 0.00 55.95 58.65 1ubw s SER 235 Cb 0.39 -2.56 0.79 0.00 0.10 0.00 0.00 66.02 64.74 1ubw s SER 235 CO 0.06 -0.46 1.82 0.50 0.98 0.00 0.00 173.24 176.14 1ubw h LYS 236 N 7.14 0.70 0.00 4.02 3.64 -1.99 0.56 116.57 130.64 1ubw h LYS 236 Ca -0.34 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1ubw h LYS 236 Cb 1.17 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1ubw h LYS 236 CO 0.84 0.46 0.00 1.49 -2.27 0.00 0.00 179.45 179.98 1ubw h GLU 237 N 0.72 0.00 0.00 1.90 4.57 -1.99 -2.16 114.58 117.62 1ubw h GLU 237 Ca 0.51 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 58.50 1ubw h GLU 237 Cb 0.84 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.40 1ubw h GLU 237 CO -0.28 0.00 -1.31 0.93 -1.18 0.00 0.00 179.01 177.17 1ubw h GLU 238 N 0.00 0.00 -0.04 1.92 3.07 -1.33 -1.39 114.58 116.80 1ubw h GLU 238 Ca 0.00 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.70 1ubw h GLU 238 Cb 0.68 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 1ubw h GLU 238 CO 0.00 0.45 -0.67 0.45 -1.40 0.00 0.00 179.01 177.84 1ubw h HIS 239 N 0.00 0.26 -0.24 4.33 3.86 -1.13 -1.36 115.15 120.87 1ubw h HIS 239 Ca -0.15 -0.11 -0.15 0.00 -1.16 0.00 0.00 60.37 58.79 1ubw h HIS 239 Cb 1.69 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 30.11 1ubw h HIS 239 CO 0.00 0.81 -0.48 0.93 0.86 0.00 0.00 177.93 180.05 1ubw h GLU 240 N 0.14 0.63 -0.04 2.45 5.08 -1.37 0.50 114.58 121.97 1ubw h GLU 240 Ca -0.01 -0.36 -0.07 0.00 -1.00 0.00 0.00 59.36 57.91 1ubw h GLU 240 Cb 1.20 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1ubw h GLU 240 CO 0.10 0.97 -0.31 -0.91 -1.00 0.00 0.00 179.01 177.86 1ubw h ASN 241 N 0.50 0.07 0.15 1.42 2.35 -0.72 -0.26 115.58 119.09 1ubw h ASN 241 Ca 0.03 -0.02 -0.20 0.00 -0.55 0.00 0.00 56.30 55.56 1ubw h ASN 241 Cb 1.02 -0.02 0.02 0.00 0.05 0.00 0.00 38.32 39.39 1ubw h ASN 241 CO 0.10 0.39 -0.86 0.00 -1.65 0.00 0.00 177.43 175.41 1ubw h ALA 242 N 1.62 -0.10 -0.85 -0.83 0.00 -0.98 -3.22 119.26 114.90 1ubw h ALA 242 Ca 0.01 -0.71 0.09 0.00 0.00 0.00 0.00 54.91 54.30 1ubw h ALA 242 Cb 0.59 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 1ubw h ALA 242 CO 0.04 0.40 0.50 -0.22 0.00 0.00 0.00 179.25 179.97 1ubw h LYS 243 N -0.34 0.81 0.00 0.00 3.64 0.39 0.82 116.57 121.89 1ubw h LYS 243 Ca -0.15 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.16 1ubw h LYS 243 Cb 1.68 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 33.31 1ubw h LYS 243 CO 0.16 0.54 -0.10 0.00 -2.27 0.00 0.00 179.45 177.78 1ubw h ALA 244 N 1.46 1.45 0.00 5.00 0.00 -1.12 -2.31 119.26 123.74 1ubw h ALA 244 Ca 0.41 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1ubw h ALA 244 Cb 0.36 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ubw h ALA 244 CO -0.24 0.13 -1.81 1.51 0.00 0.00 0.00 179.25 178.83 1ubw n ILE 245 N -3.86 0.03 0.08 0.00 3.06 0.13 -4.19 119.36 114.62 1ubw n ILE 245 Ca -0.02 -0.41 -0.07 0.00 -2.50 0.00 0.00 62.75 59.75 1ubw n ILE 245 Cb 0.20 0.08 -0.04 0.00 0.54 0.00 0.00 39.64 40.42 1ubw n ILE 245 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 1ubw h LEU 246 N 0.00 0.11 -0.88 9.51 3.38 -0.98 -2.88 115.31 123.56 1ubw h LEU 246 Ca -0.01 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1ubw h LEU 246 Cb 0.84 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1ubw h LEU 246 CO 0.00 0.96 0.18 -0.07 0.09 0.00 0.00 178.44 179.61 1ubw h LEU 247 N 0.04 0.94 0.28 1.67 3.38 -1.62 0.11 115.31 120.11 1ubw h LEU 247 Ca -0.03 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1ubw h LEU 247 Cb 1.59 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 42.06 1ubw h LEU 247 CO 0.13 0.90 -0.36 -0.08 0.09 0.00 0.00 178.44 179.11 1ubw h GLU 248 N 0.97 -0.67 -0.03 1.13 4.57 -1.70 0.78 114.58 119.62 1ubw h GLU 248 Ca 0.21 0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.45 1ubw h GLU 248 Cb 0.30 0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 29.02 1ubw h GLU 248 CO -0.00 -0.45 -0.25 0.52 -1.18 0.00 0.00 179.01 177.65 1ubw h MET 249 N -0.69 -0.28 -0.89 1.92 2.86 -1.24 -1.71 114.93 114.89 1ubw h MET 249 Ca -0.01 0.02 0.24 0.00 -2.06 0.00 0.00 59.70 57.90 1ubw h MET 249 Cb 0.65 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.33 1ubw h MET 249 CO -0.11 -0.19 0.63 0.78 1.06 0.00 0.00 176.91 179.08 1ubw h GLY 250 N -0.29 0.26 0.31 8.32 0.00 -0.65 0.30 103.07 111.31 1ubw h GLY 250 Ca 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 1ubw h GLY 250 CO -0.19 -0.01 -0.15 -2.09 0.00 0.00 0.00 176.54 174.10 1ubw h GLU 251 N 0.11 -0.41 -0.99 4.80 4.81 0.01 -2.81 114.58 120.10 1ubw h GLU 251 Ca 0.44 0.03 0.37 0.00 -0.13 0.00 0.00 59.36 60.07 1ubw h GLU 251 Cb 1.56 0.09 -0.18 0.00 0.63 0.00 0.00 28.75 30.85 1ubw h GLU 251 CO -0.06 -0.27 0.38 0.98 -0.73 0.00 0.00 179.01 179.32 1ubw n TYR 252 N -3.55 1.00 -0.20 0.92 4.19 -0.58 -0.20 117.16 118.75 1ubw n TYR 252 Ca -0.05 1.17 -0.09 0.00 3.31 0.00 0.00 57.90 62.25 1ubw n TYR 252 Cb 0.17 -1.47 0.02 0.00 0.49 0.00 0.00 39.34 38.54 1ubw n TYR 252 CO 0.00 0.00 0.00 0.35 0.91 0.00 0.00 176.86 178.12 1ubw h PHE 253 N 0.00 1.00 -0.26 2.98 3.04 -0.36 -0.87 116.94 122.47 1ubw h PHE 253 Ca 0.77 -0.14 -0.08 0.00 3.98 0.00 0.00 57.97 62.51 1ubw h PHE 253 Cb 1.94 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 40.16 1ubw h PHE 253 CO -0.15 0.87 -0.17 0.37 -2.02 0.00 0.00 178.31 177.21 1ubw h GLN 254 N 0.84 0.46 -0.30 1.11 5.75 -0.32 0.11 115.11 122.77 1ubw h GLN 254 Ca 0.17 -0.14 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 1ubw h GLN 254 Cb 0.41 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 1ubw h GLN 254 CO 0.01 0.62 0.11 0.82 -2.65 0.00 0.00 178.83 177.74 1ubw h ILE 255 N 0.42 1.18 -0.86 2.39 5.03 -0.90 0.24 117.51 125.01 1ubw h ILE 255 Ca 0.07 -0.57 0.02 0.00 -0.12 0.00 0.00 64.86 64.26 1ubw h ILE 255 Cb 0.54 1.01 -0.05 0.00 -3.03 0.00 0.00 36.82 35.30 1ubw h ILE 255 CO 0.04 0.20 0.56 -0.61 -0.68 0.00 0.00 178.15 177.65 1ubw h GLN 256 N 0.33 1.08 -0.04 2.37 4.15 -0.42 0.63 115.11 123.21 1ubw h GLN 256 Ca 0.10 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 1ubw h GLN 256 Cb 0.20 -0.24 -0.00 0.00 0.21 0.00 0.00 27.48 27.64 1ubw h GLN 256 CO -0.01 0.72 0.02 0.22 -1.93 0.00 0.00 178.83 177.85 1ubw h ASP 257 N 1.11 0.05 -1.01 -0.69 1.82 -0.44 -0.11 116.42 117.16 1ubw h ASP 257 Ca 0.33 -0.07 0.15 0.00 -0.39 0.00 0.00 57.03 57.05 1ubw h ASP 257 Cb -0.05 -0.01 -0.09 0.00 0.68 0.00 0.00 39.33 39.85 1ubw h ASP 257 CO -0.10 0.10 0.63 0.44 -1.61 0.00 0.00 179.24 178.70 1ubw h ASP 258 N -0.01 0.88 0.32 2.28 3.32 0.28 -2.20 116.42 121.29 1ubw h ASP 258 Ca 0.01 0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 1ubw h ASP 258 Cb 0.06 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1ubw h ASP 258 CO -0.00 0.41 -0.47 0.22 -1.72 0.00 0.00 179.24 177.68 1ubw h TYR 259 N 0.91 0.22 0.00 4.55 3.20 0.90 -3.15 116.97 123.60 1ubw h TYR 259 Ca 0.53 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 62.31 1ubw h TYR 259 Cb 0.64 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 1ubw h TYR 259 CO -0.00 0.62 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.98 1ubw h LEU 260 N 0.15 0.00 -0.96 2.82 3.38 -0.45 -2.50 115.31 117.75 1ubw h LEU 260 Ca 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1ubw h LEU 260 Cb 0.89 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1ubw h LEU 260 CO 0.07 0.09 -0.37 -0.78 0.09 0.00 0.00 178.44 177.54 1ubw h ASP 261 N 0.00 0.00 0.00 -0.43 1.82 -1.40 -3.25 116.42 113.16 1ubw h ASP 261 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1ubw h ASP 261 Cb 1.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.01 1ubw h ASP 261 CO 0.01 0.37 0.00 0.00 -1.61 0.00 0.00 179.24 178.02 1ubw n PHE 263 N -1.21 0.00 -4.27 0.00 3.01 -0.94 -4.81 117.46 109.24 1ubw n PHE 263 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.30 1ubw n PHE 263 Cb 0.00 -0.04 -0.10 0.00 -0.01 0.00 0.00 39.48 39.33 1ubw n PHE 263 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1ubw s GLY 264 N -0.63 1.14 0.00 1.37 0.00 -1.23 -4.90 107.32 103.08 1ubw s GLY 264 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.24 1ubw s GLY 264 CO 0.00 -1.57 0.00 1.34 0.00 0.00 0.00 173.10 172.87 1ubw n ASP 265 N -0.07 -0.04 -4.46 1.64 2.03 -1.26 -4.85 116.55 109.54 1ubw n ASP 265 Ca -0.11 0.01 -0.14 0.00 0.52 0.00 0.00 54.79 55.07 1ubw n ASP 265 Cb 0.60 0.46 -0.12 0.00 -0.72 0.00 0.00 41.12 41.34 1ubw n ASP 265 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1ubw n PRO 266 N -2.44 0.20 -0.94 -0.67 -0.02 -1.26 -0.89 135.00 128.98 1ubw n PRO 266 Ca 0.00 -0.54 0.00 0.00 -2.02 0.00 0.00 63.50 60.94 1ubw n PRO 266 Cb 0.00 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 1ubw n PRO 266 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ubw n ALA 267 N 12.00 0.00 -1.63 3.55 0.00 -1.26 -4.98 120.51 128.19 1ubw n ALA 267 Ca 0.47 0.00 -0.58 0.00 0.00 0.00 0.00 53.44 53.32 1ubw n ALA 267 Cb 0.34 -0.07 -0.08 0.00 0.00 0.00 0.00 19.45 19.64 1ubw n ALA 267 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ubw n LEU 268 N 0.00 1.37 0.00 0.00 7.99 -0.06 -4.41 117.00 121.89 1ubw n LEU 268 Ca 0.00 1.13 0.00 0.00 -0.01 0.00 0.00 56.01 57.13 1ubw n LEU 268 Cb 0.00 -1.05 0.00 0.00 -0.11 0.00 0.00 43.42 42.26 1ubw n LEU 268 CO 0.00 -1.04 0.00 1.07 -1.51 0.00 0.00 177.39 175.91 1ubw n THR 269 N 3.12 0.00 0.00 -5.08 5.66 -1.26 -4.41 114.28 112.31 1ubw n THR 269 Ca 0.23 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.23 1ubw n THR 269 Cb 0.10 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.88 1ubw n THR 269 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ubw n GLY 270 N 0.00 2.60 3.56 1.09 0.00 -1.26 -4.81 105.19 106.38 1ubw n GLY 270 Ca 0.00 -0.28 -0.62 0.00 0.00 0.00 0.00 46.02 45.12 1ubw n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubw n ALA 271 N 11.17 -0.43 -2.50 4.61 0.00 -1.26 -4.83 120.51 127.27 1ubw n ALA 271 Ca 0.00 0.33 -0.36 0.00 0.00 0.00 0.00 53.44 53.42 1ubw n ALA 271 Cb 0.00 -2.09 0.01 0.00 0.00 0.00 0.00 19.45 17.37 1ubw n ALA 271 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ubw n VAL 272 N 5.18 4.27 -0.37 0.00 0.31 -1.26 -4.96 118.33 121.49 1ubw n VAL 272 Ca 0.38 -5.32 0.00 0.00 -0.01 0.00 0.00 64.34 59.39 1ubw n VAL 272 Cb 0.01 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 1ubw n VAL 272 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ubw n GLY 273 N -0.28 1.53 3.61 2.92 0.00 -1.26 -5.13 105.19 106.57 1ubw n GLY 273 Ca 0.44 -1.68 -0.03 0.00 0.00 0.00 0.00 46.02 44.75 1ubw n GLY 273 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ubw s THR 274 N 2.37 0.00 -0.20 2.61 2.01 -1.26 -4.83 115.64 116.34 1ubw s THR 274 Ca 0.00 -0.13 0.13 0.00 0.31 0.00 0.00 61.69 62.00 1ubw s THR 274 Cb 0.00 -1.42 0.32 0.00 0.01 0.00 0.00 72.50 71.42 1ubw s THR 274 CO 0.00 0.00 1.28 0.47 -0.69 0.00 0.00 174.62 175.68 1ubw n ASP 275 N -0.27 -0.53 0.10 3.53 8.00 -1.26 -4.81 116.55 121.31 1ubw n ASP 275 Ca -0.04 -2.10 -0.15 0.00 0.71 0.00 0.00 54.79 53.21 1ubw n ASP 275 Cb 0.60 0.27 -0.12 0.00 -0.02 0.00 0.00 41.12 41.86 1ubw n ASP 275 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1ubw h ILE 276 N 4.88 1.50 -0.94 0.53 -0.00 -1.95 -2.08 117.51 119.44 1ubw h ILE 276 Ca -0.40 -2.96 0.12 0.00 -0.00 0.00 0.00 64.86 61.62 1ubw h ILE 276 Cb 1.39 2.83 -0.07 0.00 -0.00 0.00 0.00 36.82 40.96 1ubw h ILE 276 CO -0.12 0.87 0.60 0.06 -0.00 0.00 0.00 178.15 179.56 1ubw h GLN 277 N 0.10 0.87 -6.02 2.19 -0.00 -1.87 -3.24 115.11 107.14 1ubw h GLN 277 Ca -0.11 -0.05 -0.57 0.00 -0.00 0.00 0.00 58.65 57.92 1ubw h GLN 277 Cb 1.87 -0.20 -0.06 0.00 -0.00 0.00 0.00 27.48 29.10 1ubw h GLN 277 CO 0.19 0.58 0.21 0.34 -0.00 0.00 0.00 178.83 180.15 1ubw s ASP 278 N -5.79 7.00 -0.58 0.06 -1.08 -0.78 -3.03 116.67 112.47 1ubw s ASP 278 Ca -0.11 1.21 -0.26 0.00 -0.52 0.00 0.00 52.55 52.86 1ubw s ASP 278 Cb 0.22 -2.44 -0.09 0.00 -1.46 0.00 0.00 42.92 39.15 1ubw s ASP 278 CO 0.80 -0.23 2.43 -3.20 0.52 0.00 0.00 175.17 175.49 1ubw n ASN 279 N 4.34 2.05 -4.14 -0.34 5.15 -1.26 -4.69 115.26 116.37 1ubw n ASN 279 Ca 0.01 -0.63 -0.29 0.00 -0.60 0.00 0.00 54.58 53.08 1ubw n ASN 279 Cb 0.50 -1.54 -0.17 0.00 -0.53 0.00 0.00 39.78 38.04 1ubw n ASN 279 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1ubw s LYS 280 N 8.43 2.38 -0.67 1.20 2.20 -1.26 -4.73 119.74 127.29 1ubw s LYS 280 Ca 1.00 -0.68 -0.26 0.00 -0.36 0.00 0.00 55.97 55.67 1ubw s LYS 280 Cb -0.25 -1.88 -0.01 0.00 -1.51 0.00 0.00 37.83 34.19 1ubw s LYS 280 CO 0.25 0.14 1.71 0.00 -0.36 0.00 0.00 175.35 177.10 1ubw s SER 282 N 6.94 3.68 0.36 0.00 0.15 -1.26 -5.02 113.70 118.56 1ubw s SER 282 Ca 0.59 -1.03 0.08 0.00 0.70 0.00 0.00 55.95 56.29 1ubw s SER 282 Cb -0.11 -0.34 0.69 0.00 -1.71 0.00 0.00 66.02 64.55 1ubw s SER 282 CO 0.18 -0.00 1.87 -0.25 1.20 0.00 0.00 173.24 176.24 1ubw h TRP 283 N 2.20 0.33 0.87 3.44 7.01 -1.91 -2.38 115.95 125.51 1ubw h TRP 283 Ca -0.41 -0.04 -0.04 0.00 2.11 0.00 0.00 58.89 60.51 1ubw h TRP 283 Cb 1.26 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 28.23 1ubw h TRP 283 CO 0.79 0.45 -0.48 -0.07 -2.79 0.00 0.00 178.44 176.34 1ubw h LEU 284 N 0.29 -1.18 -0.09 0.65 3.38 -1.94 0.13 115.31 116.55 1ubw h LEU 284 Ca 0.06 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1ubw h LEU 284 Cb 0.42 0.33 -0.06 0.00 0.09 0.00 0.00 40.66 41.44 1ubw h LEU 284 CO 0.02 -0.77 -0.30 0.58 0.09 0.00 0.00 178.44 178.06 1ubw h VAL 285 N -1.25 0.32 -0.46 1.22 2.07 -1.89 -0.58 116.25 115.68 1ubw h VAL 285 Ca -0.12 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.49 1ubw h VAL 285 Cb 0.98 0.32 -0.07 0.00 -1.52 0.00 0.00 31.29 31.00 1ubw h VAL 285 CO 0.16 0.00 0.02 0.58 0.02 0.00 0.00 177.57 178.35 1ubw h VAL 286 N -0.40 0.67 -0.25 2.57 2.07 -1.29 0.46 116.25 120.08 1ubw h VAL 286 Ca 0.09 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 1ubw h VAL 286 Cb 0.53 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1ubw h VAL 286 CO -0.32 0.03 -0.01 1.56 0.02 0.00 0.00 177.57 178.84 1ubw h GLN 287 N 0.14 0.37 0.35 1.57 1.08 -0.63 -2.61 115.11 115.39 1ubw h GLN 287 Ca 0.23 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.34 1ubw h GLN 287 Cb 0.33 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1ubw h GLN 287 CO -0.36 0.41 -0.17 0.00 -0.95 0.00 0.00 178.83 177.76 1ubw n LEU 289 N -5.21 0.00 -0.05 0.00 4.77 0.13 -1.22 117.00 115.42 1ubw n LEU 289 Ca -0.10 0.22 0.13 0.00 -0.03 0.00 0.00 56.01 56.23 1ubw n LEU 289 Cb 0.26 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.55 1ubw n LEU 289 CO 0.33 0.00 0.75 0.00 -1.33 0.00 0.00 177.39 177.14 1ubw n GLN 290 N -0.40 0.01 -2.16 3.23 10.64 -1.13 -1.17 117.38 126.40 1ubw n GLN 290 Ca 0.00 0.63 -0.28 0.00 -1.83 0.00 0.00 57.00 55.52 1ubw n GLN 290 Cb 0.00 -1.59 0.02 0.00 -0.86 0.00 0.00 30.24 27.80 1ubw n GLN 290 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 1ubw n ARG 291 N -2.31 3.35 -4.01 2.61 0.63 -0.36 -5.03 116.66 111.53 1ubw n ARG 291 Ca 0.11 -4.18 -0.11 0.00 -0.92 0.00 0.00 57.85 52.75 1ubw n ARG 291 Cb 0.88 -2.27 -0.12 0.00 0.45 0.00 0.00 32.46 31.41 1ubw n ARG 291 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1ubw s VAL 292 N -5.11 0.26 -0.09 5.15 0.11 -0.31 -4.93 120.40 115.48 1ubw s VAL 292 Ca 0.51 -0.87 -0.18 0.00 -2.93 0.00 0.00 61.98 58.51 1ubw s VAL 292 Cb 0.42 -0.36 -0.05 0.00 -1.53 0.00 0.00 36.38 34.86 1ubw s VAL 292 CO -0.12 -0.39 0.47 0.42 -3.33 0.00 0.00 175.10 172.14 1ubw s THR 293 N -1.26 5.13 0.49 5.04 -4.23 -1.26 -4.77 115.64 114.78 1ubw s THR 293 Ca -0.12 0.94 0.00 0.00 -1.18 0.00 0.00 61.69 61.33 1ubw s THR 293 Cb -0.09 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 69.95 1ubw s THR 293 CO -0.00 0.38 0.75 -0.81 -0.54 0.00 0.00 174.62 174.40 1ubw n PRO 294 N 3.24 0.02 0.14 3.99 -0.04 -1.26 0.29 135.00 141.38 1ubw n PRO 294 Ca -0.08 0.71 -0.06 0.00 -0.04 0.00 0.00 63.50 64.03 1ubw n PRO 294 Cb 0.52 -1.93 -0.03 0.00 -0.04 0.00 0.00 33.50 32.02 1ubw n PRO 294 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ubw h GLU 295 N 0.00 -0.36 -0.76 0.54 3.07 -1.99 -2.82 114.58 112.25 1ubw h GLU 295 Ca 0.00 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.87 1ubw h GLU 295 Cb 1.50 0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 29.46 1ubw h GLU 295 CO 0.00 -0.24 0.42 1.96 -1.40 0.00 0.00 179.01 179.75 1ubw h GLN 296 N -0.57 1.05 0.00 2.33 7.50 0.39 0.42 115.11 126.23 1ubw h GLN 296 Ca -0.04 -0.12 0.00 0.00 0.50 0.00 0.00 58.65 58.99 1ubw h GLN 296 Cb 0.29 -0.21 0.00 0.00 0.05 0.00 0.00 27.48 27.61 1ubw h GLN 296 CO 0.06 0.77 0.15 -2.13 -1.50 0.00 0.00 178.83 176.19 1ubw n ARG 297 N -4.46 0.00 -0.02 1.46 3.00 -0.12 0.13 116.66 116.64 1ubw n ARG 297 Ca 0.07 0.26 -0.03 0.00 -0.00 0.00 0.00 57.85 58.15 1ubw n ARG 297 Cb 0.08 -1.65 -0.03 0.00 0.00 0.00 0.00 32.46 30.87 1ubw n ARG 297 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1ubw n GLN 298 N -1.22 1.62 -0.18 -0.14 1.13 -0.67 -3.30 117.38 114.63 1ubw n GLN 298 Ca 0.00 0.02 0.05 0.00 -1.94 0.00 0.00 57.00 55.12 1ubw n GLN 298 Cb 0.15 -1.11 0.33 0.00 0.11 0.00 0.00 30.24 29.72 1ubw n GLN 298 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1ubw h LEU 299 N 0.00 0.70 0.03 1.08 6.46 0.28 -1.30 115.31 122.56 1ubw h LEU 299 Ca -0.12 -0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.64 1ubw h LEU 299 Cb 1.22 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.99 1ubw h LEU 299 CO -0.01 0.47 -0.02 0.25 -0.62 0.00 0.00 178.44 178.52 1ubw h LEU 300 N 0.81 -0.04 -1.12 2.25 6.46 0.77 -3.17 115.31 121.27 1ubw h LEU 300 Ca 0.29 -0.55 0.21 0.00 -0.12 0.00 0.00 57.88 57.71 1ubw h LEU 300 Cb 0.13 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.04 1ubw h LEU 300 CO -0.09 0.71 1.01 -0.08 -0.62 0.00 0.00 178.44 179.37 1ubw h GLU 301 N -0.96 0.00 0.00 1.25 4.57 -1.43 -1.92 114.58 116.09 1ubw h GLU 301 Ca -0.00 0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 57.81 1ubw h GLU 301 Cb 0.59 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.11 1ubw h GLU 301 CO 0.01 0.00 -2.37 -0.25 -1.18 0.00 0.00 179.01 175.21 1ubw n ASP 302 N -3.20 1.66 -0.13 1.04 8.00 -0.54 -4.67 116.55 118.70 1ubw n ASP 302 Ca 0.16 -0.10 0.12 0.00 0.71 0.00 0.00 54.79 55.68 1ubw n ASP 302 Cb 1.24 -0.06 0.27 0.00 -0.02 0.00 0.00 41.12 42.55 1ubw n ASP 302 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ubw n ASN 303 N -3.09 0.84 -4.69 -2.24 3.02 -0.75 -4.86 115.26 103.49 1ubw n ASN 303 Ca -0.40 -0.64 -0.41 0.00 -0.03 0.00 0.00 54.58 53.09 1ubw n ASN 303 Cb 1.00 0.26 -0.04 0.00 -0.61 0.00 0.00 39.78 40.39 1ubw n ASN 303 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1ubw s TYR 304 N -2.75 3.51 0.00 3.10 5.04 -1.06 -2.34 117.35 122.85 1ubw s TYR 304 Ca 0.17 1.35 0.00 0.00 -2.44 0.00 0.00 57.07 56.15 1ubw s TYR 304 Cb 0.18 -2.98 0.00 0.00 0.35 0.00 0.00 41.96 39.51 1ubw s TYR 304 CO 0.62 -0.10 0.00 0.41 -1.34 0.00 0.00 175.55 175.14 1ubw n GLY 305 N 3.24 0.90 3.64 8.97 0.00 -1.19 -4.81 105.19 115.95 1ubw n GLY 305 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1ubw n GLY 305 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ubw s ARG 306 N -0.39 4.08 0.00 1.61 1.81 -0.99 -4.63 118.95 120.44 1ubw s ARG 306 Ca 0.00 1.39 0.13 0.00 -1.72 0.00 0.00 55.73 55.53 1ubw s ARG 306 Cb 0.00 -3.80 0.43 0.00 -0.45 0.00 0.00 34.95 31.13 1ubw s ARG 306 CO 0.00 -0.90 1.34 1.17 -0.68 0.00 0.00 175.30 176.22 1ubw n LYS 307 N 6.92 1.80 -3.45 3.54 3.00 -1.26 -4.37 118.16 124.34 1ubw n LYS 307 Ca 0.14 -1.24 -0.42 0.00 -0.00 0.00 0.00 58.31 56.79 1ubw n LYS 307 Cb 0.46 -1.31 -0.10 0.00 0.00 0.00 0.00 35.03 34.08 1ubw n LYS 307 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1ubw s GLU 308 N -1.59 3.20 0.26 1.64 2.02 -1.26 -5.00 118.70 117.97 1ubw s GLU 308 Ca 0.26 -0.80 0.09 0.00 0.02 0.00 0.00 54.97 54.54 1ubw s GLU 308 Cb 0.14 -3.91 0.82 0.00 0.10 0.00 0.00 34.13 31.27 1ubw s GLU 308 CO 0.19 -0.66 1.20 -2.30 0.02 0.00 0.00 175.26 173.71 1ubw n PRO 309 N 5.25 -0.05 0.07 0.39 -0.02 -1.26 -0.85 135.00 138.53 1ubw n PRO 309 Ca -0.11 1.10 -0.12 0.00 -2.02 0.00 0.00 63.50 62.36 1ubw n PRO 309 Cb 0.48 -1.86 -0.05 0.00 -0.02 0.00 0.00 33.50 32.05 1ubw n PRO 309 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ubw h GLU 310 N 0.00 -0.40 -0.20 -0.52 4.22 -1.97 -2.13 114.58 113.58 1ubw h GLU 310 Ca 0.56 0.03 0.02 0.00 0.08 0.00 0.00 59.36 60.05 1ubw h GLU 310 Cb 1.35 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.65 1ubw h GLU 310 CO -0.65 -0.26 -0.28 0.87 -2.18 0.00 0.00 179.01 176.51 1ubw h LYS 311 N -0.41 -0.19 -0.29 1.92 1.79 -1.34 -0.53 116.57 117.52 1ubw h LYS 311 Ca 0.05 0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.57 1ubw h LYS 311 Cb 0.48 0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 31.12 1ubw h LYS 311 CO -0.20 -0.13 -0.37 0.28 -1.08 0.00 0.00 179.45 177.95 1ubw h VAL 312 N -0.20 0.00 -0.97 0.50 2.07 -1.48 0.47 116.25 116.65 1ubw h VAL 312 Ca 0.04 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.86 1ubw h VAL 312 Cb 0.29 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.89 1ubw h VAL 312 CO -0.30 0.00 0.24 0.00 0.02 0.00 0.00 177.57 177.54 1ubw h ALA 313 N -0.45 1.50 -0.12 1.67 0.00 -1.19 1.15 119.26 121.82 1ubw h ALA 313 Ca 0.05 0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1ubw h ALA 313 Cb 0.39 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1ubw h ALA 313 CO -0.40 -0.65 0.06 -0.22 0.00 0.00 0.00 179.25 178.04 1ubw h LYS 314 N 0.07 0.17 -0.84 0.00 1.63 0.14 -2.13 116.57 115.61 1ubw h LYS 314 Ca 0.66 -0.02 0.20 0.00 -0.85 0.00 0.00 60.65 60.64 1ubw h LYS 314 Cb 1.50 -0.03 -0.12 0.00 -0.60 0.00 0.00 32.23 32.97 1ubw h LYS 314 CO -0.80 0.19 0.29 0.28 -3.45 0.00 0.00 179.45 175.96 1ubw h VAL 315 N 0.10 0.46 -0.41 2.00 2.07 0.45 0.38 116.25 121.29 1ubw h VAL 315 Ca 0.04 -0.11 -0.14 0.00 0.82 0.00 0.00 66.70 67.31 1ubw h VAL 315 Cb 0.08 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 1ubw h VAL 315 CO -0.01 0.06 -0.30 0.11 0.02 0.00 0.00 177.57 177.45 1ubw h LYS 316 N 0.33 0.93 -0.07 1.57 6.56 -1.08 -2.90 116.57 121.91 1ubw h LYS 316 Ca 0.51 -0.45 0.04 0.00 -1.06 0.00 0.00 60.65 59.68 1ubw h LYS 316 Cb 0.94 -0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.53 1ubw h LYS 316 CO -0.54 1.11 -0.38 1.49 -2.06 0.00 0.00 179.45 179.06 1ubw h GLU 317 N 0.76 -0.48 -0.78 3.15 4.81 0.37 -0.95 114.58 121.47 1ubw h GLU 317 Ca 0.08 0.03 0.18 0.00 -0.13 0.00 0.00 59.36 59.53 1ubw h GLU 317 Cb 0.88 0.11 -0.13 0.00 0.63 0.00 0.00 28.75 30.24 1ubw h GLU 317 CO 0.08 -0.32 0.04 1.25 -0.73 0.00 0.00 179.01 179.33 1ubw h LEU 318 N -0.50 -0.29 -1.30 1.64 6.46 -1.12 1.71 115.31 121.92 1ubw h LEU 318 Ca 0.07 0.20 -0.04 0.00 -0.12 0.00 0.00 57.88 57.98 1ubw h LEU 318 Cb 0.61 0.33 -0.02 0.00 -0.73 0.00 0.00 40.66 40.86 1ubw h LEU 318 CO -0.34 -0.18 -0.01 1.88 -0.62 0.00 0.00 178.44 179.18 1ubw h TYR 319 N 0.12 0.47 0.15 1.25 0.05 -1.00 1.97 116.97 119.99 1ubw h TYR 319 Ca 0.44 -0.04 -0.29 0.00 0.05 0.00 0.00 58.73 58.89 1ubw h TYR 319 Cb 0.79 -0.14 0.01 0.00 1.01 0.00 0.00 36.73 38.40 1ubw h TYR 319 CO -0.40 0.48 -1.28 0.93 -1.05 0.00 0.00 178.16 176.84 1ubw h GLU 320 N 0.45 0.33 0.06 4.88 3.07 0.27 1.03 114.58 124.68 1ubw h GLU 320 Ca 0.10 -0.56 0.02 0.00 -0.50 0.00 0.00 59.36 58.42 1ubw h GLU 320 Cb 0.30 0.21 -0.04 0.00 -0.84 0.00 0.00 28.75 28.38 1ubw h GLU 320 CO 0.01 1.26 -0.27 0.00 -1.40 0.00 0.00 179.01 178.61 1ubw h ALA 321 N 0.50 -0.42 -0.00 3.43 0.00 0.35 0.89 119.26 124.01 1ubw h ALA 321 Ca -0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1ubw h ALA 321 Cb 2.00 0.46 0.00 0.00 0.00 0.00 0.00 17.79 20.25 1ubw h ALA 321 CO 0.22 -0.79 -0.07 0.28 0.00 0.00 0.00 179.25 178.89 1ubw n VAL 322 N -5.38 0.00 -2.53 0.00 0.31 0.66 -4.94 118.33 106.44 1ubw n VAL 322 Ca -0.06 -0.02 -0.07 0.00 -0.01 0.00 0.00 64.34 64.19 1ubw n VAL 322 Cb 0.30 -0.34 0.03 0.00 -0.91 0.00 0.00 33.84 32.93 1ubw n VAL 322 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ubw n GLY 323 N 1.35 0.13 0.30 2.92 0.00 0.32 -4.98 105.19 105.23 1ubw n GLY 323 Ca 0.12 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 1ubw n GLY 323 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ubw h MET 324 N -0.72 -0.49 -0.81 1.61 2.07 -0.65 -2.87 114.93 113.07 1ubw h MET 324 Ca -0.23 0.03 0.24 0.00 -2.07 0.00 0.00 59.70 57.67 1ubw h MET 324 Cb 1.13 0.11 -0.03 0.00 -1.87 0.00 0.00 31.60 30.94 1ubw h MET 324 CO 0.19 -0.33 1.06 0.07 1.07 0.00 0.00 176.91 178.98 1ubw h ARG 325 N -0.51 0.00 0.14 1.72 0.11 -1.94 0.70 114.38 114.60 1ubw h ARG 325 Ca -0.02 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.85 1ubw h ARG 325 Cb 0.49 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.58 1ubw h ARG 325 CO -0.13 0.00 -0.98 0.00 0.10 0.00 0.00 179.97 178.96 1ubw h ALA 326 N 0.63 -0.03 -0.19 0.08 0.00 -1.83 -2.86 119.26 115.07 1ubw h ALA 326 Ca 0.39 -0.80 0.05 0.00 0.00 0.00 0.00 54.91 54.55 1ubw h ALA 326 Cb 2.51 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 20.49 1ubw h ALA 326 CO -0.00 0.50 0.25 0.00 0.00 0.00 0.00 179.25 179.99 1ubw h ALA 327 N 0.05 1.73 0.50 0.00 0.00 0.38 0.37 119.26 122.29 1ubw h ALA 327 Ca -0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1ubw h ALA 327 Cb 1.68 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1ubw h ALA 327 CO 0.13 -0.35 -0.24 0.35 0.00 0.00 0.00 179.25 179.14 1ubw h PHE 328 N 0.00 -0.62 -0.19 0.00 3.57 -1.26 -0.74 116.94 117.70 1ubw h PHE 328 Ca 0.09 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.63 1ubw h PHE 328 Cb 0.59 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 1ubw h PHE 328 CO 0.00 -0.31 0.28 1.96 -2.23 0.00 0.00 178.31 178.01 1ubw h GLN 329 N -1.07 0.00 0.03 1.11 1.08 -0.13 1.77 115.11 117.90 1ubw h GLN 329 Ca -0.07 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.88 1ubw h GLN 329 Cb 0.59 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.99 1ubw h GLN 329 CO 0.11 0.00 -1.32 1.96 -0.95 0.00 0.00 178.83 178.63 1ubw h GLN 330 N 0.00 0.05 0.27 1.46 4.20 -0.95 -3.19 115.11 116.96 1ubw h GLN 330 Ca 0.09 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1ubw h GLN 330 Cb 0.65 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1ubw h GLN 330 CO -0.00 0.87 -0.13 -0.92 -0.67 0.00 0.00 178.83 177.98 1ubw h TYR 331 N 0.01 -0.33 -1.58 2.96 3.20 0.38 -1.42 116.97 120.19 1ubw h TYR 331 Ca -0.14 -0.01 0.50 0.00 3.14 0.00 0.00 58.73 62.22 1ubw h TYR 331 Cb 1.90 0.11 -0.11 0.00 1.54 0.00 0.00 36.73 40.16 1ubw h TYR 331 CO 0.01 -0.21 1.07 1.49 -1.64 0.00 0.00 178.16 178.89 1ubw h GLU 332 N -0.58 0.02 -0.04 1.82 4.81 0.31 0.49 114.58 121.40 1ubw h GLU 332 Ca -0.04 -0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.95 1ubw h GLU 332 Cb 0.28 -0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.67 1ubw h GLU 332 CO 0.06 0.01 -0.92 1.05 -0.73 0.00 0.00 179.01 178.48 1ubw h GLU 333 N 0.02 0.70 -0.17 1.92 4.11 -1.52 -2.39 114.58 117.25 1ubw h GLU 333 Ca 0.89 -0.69 -0.02 0.00 0.07 0.00 0.00 59.36 59.61 1ubw h GLU 333 Cb 3.12 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 32.54 1ubw h GLU 333 CO -0.29 1.28 0.04 1.03 0.07 0.00 0.00 179.01 181.15 1ubw h SER 334 N 0.38 0.25 -0.38 3.06 0.87 0.10 -3.09 113.55 114.75 1ubw h SER 334 Ca -0.10 -0.22 0.07 0.00 -1.23 0.00 0.00 61.79 60.30 1ubw h SER 334 Cb 1.57 -0.07 -0.09 0.00 -0.44 0.00 0.00 62.40 63.38 1ubw h SER 334 CO 0.18 0.41 -0.42 -1.28 -0.53 0.00 0.00 176.83 175.19 1ubw h SER 335 N 0.08 -1.40 -0.74 6.23 0.87 -0.98 -2.02 113.55 115.60 1ubw h SER 335 Ca 0.05 0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 1ubw h SER 335 Cb 0.25 0.61 -0.04 0.00 -0.44 0.00 0.00 62.40 62.79 1ubw h SER 335 CO -0.00 -0.37 0.44 0.22 -0.53 0.00 0.00 176.83 176.59 1ubw h TYR 336 N -0.34 0.99 0.25 2.24 3.20 -1.47 -1.81 116.97 120.03 1ubw h TYR 336 Ca 0.13 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 1ubw h TYR 336 Cb 0.58 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1ubw h TYR 336 CO -0.61 0.67 -0.22 -0.09 -1.64 0.00 0.00 178.16 176.27 1ubw h ARG 337 N 1.03 -0.45 0.00 1.82 2.43 -1.29 -1.85 114.38 116.08 1ubw h ARG 337 Ca 0.27 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1ubw h ARG 337 Cb -0.02 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1ubw h ARG 337 CO -0.05 -0.30 0.54 -0.09 -1.51 0.00 0.00 179.97 178.57 1ubw h ARG 338 N -0.46 0.00 0.00 0.20 2.43 -1.20 0.13 114.38 115.47 1ubw h ARG 338 Ca -0.03 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1ubw h ARG 338 Cb 0.40 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1ubw h ARG 338 CO -0.01 0.00 -0.00 1.25 -1.51 0.00 0.00 179.97 179.70 1ubw h LEU 339 N 0.00 -0.00 -1.06 3.80 5.85 -0.46 -3.11 115.31 120.32 1ubw h LEU 339 Ca 0.00 -0.92 0.17 0.00 0.84 0.00 0.00 57.88 57.96 1ubw h LEU 339 Cb 1.08 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.02 1ubw h LEU 339 CO 0.00 0.96 0.62 1.56 -0.34 0.00 0.00 178.44 181.24 1ubw h GLN 340 N -1.00 0.78 -0.11 1.25 1.08 -0.60 -0.54 115.11 115.96 1ubw h GLN 340 Ca -0.00 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1ubw h GLN 340 Cb 0.92 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.17 1ubw h GLN 340 CO 0.00 0.51 0.07 0.93 -0.95 0.00 0.00 178.83 179.40 1ubw h GLU 341 N 0.80 0.15 0.00 1.46 4.39 -1.54 -1.91 114.58 117.94 1ubw h GLU 341 Ca 0.54 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.23 1ubw h GLU 341 Cb 0.80 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 1ubw h GLU 341 CO -0.32 0.13 0.00 -0.07 -1.16 0.00 0.00 179.01 177.59 1ubw h LEU 342 N 0.13 0.00 -0.60 1.33 3.38 -1.22 0.23 115.31 118.56 1ubw h LEU 342 Ca 0.04 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1ubw h LEU 342 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1ubw h LEU 342 CO -0.01 0.00 -0.23 0.40 0.09 0.00 0.00 178.44 178.69 1ubw h ILE 343 N 0.00 0.46 0.00 1.22 1.08 -0.35 -2.24 117.51 117.67 1ubw h ILE 343 Ca 0.00 -1.34 0.00 0.00 -0.39 0.00 0.00 64.86 63.13 1ubw h ILE 343 Cb 0.42 1.97 0.00 0.00 -3.07 0.00 0.00 36.82 36.14 1ubw h ILE 343 CO 0.00 0.22 -0.17 -0.33 -0.69 0.00 0.00 178.15 177.18 1ubw h GLU 344 N 0.00 0.00 -1.05 2.37 3.07 -0.14 -2.65 114.58 116.19 1ubw h GLU 344 Ca -0.00 0.00 0.28 0.00 -0.50 0.00 0.00 59.36 59.14 1ubw h GLU 344 Cb 0.96 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.79 1ubw h GLU 344 CO 0.03 0.00 0.71 -0.22 -1.40 0.00 0.00 179.01 178.13 1ubw h LYS 345 N -0.54 0.23 0.00 2.33 3.64 -1.37 -3.18 116.57 117.68 1ubw h LYS 345 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ubw h LYS 345 Cb 0.17 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1ubw h LYS 345 CO 0.00 0.15 -0.56 0.72 -2.27 0.00 0.00 179.45 177.50 1ubw n HIS 346 N -4.45 0.00 -1.25 1.91 8.25 -0.84 -4.56 115.22 114.27 1ubw n HIS 346 Ca 0.24 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.39 1ubw n HIS 346 Cb 0.97 -0.03 0.09 0.00 1.12 0.00 0.00 29.99 32.15 1ubw n HIS 346 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ubw n SER 347 N -1.29 6.83 0.37 0.41 2.88 -1.00 -4.55 113.62 117.27 1ubw n SER 347 Ca 0.01 -3.68 -0.18 0.00 -1.33 0.00 0.00 58.87 53.69 1ubw n SER 347 Cb 0.15 -0.96 -0.09 0.00 -0.75 0.00 0.00 64.21 62.57 1ubw n SER 347 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1ubw h ASN 348 N 1.75 -0.93 0.41 -3.46 2.35 -1.81 -3.28 115.58 110.61 1ubw h ASN 348 Ca 0.58 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 56.38 1ubw h ASN 348 Cb 1.21 0.26 0.00 0.00 0.05 0.00 0.00 38.32 39.84 1ubw h ASN 348 CO 1.42 -0.60 -1.13 -1.14 -1.65 0.00 0.00 177.43 174.33 1ubw n ARG 349 N -5.52 0.34 -3.98 0.81 0.00 -1.26 -4.95 116.66 102.10 1ubw n ARG 349 Ca -0.13 -0.01 -0.21 0.00 -0.00 0.00 0.00 57.85 57.49 1ubw n ARG 349 Cb 0.41 -1.60 -0.03 0.00 0.00 0.00 0.00 32.46 31.24 1ubw n ARG 349 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1ubw s LEU 350 N -4.05 3.96 -0.49 6.15 1.02 -1.24 -5.03 118.68 119.00 1ubw s LEU 350 Ca 0.02 -0.17 -0.27 0.00 0.02 0.00 0.00 54.13 53.73 1ubw s LEU 350 Cb 0.14 -2.53 -0.02 0.00 0.02 0.00 0.00 46.19 43.81 1ubw s LEU 350 CO 0.82 -0.12 1.80 -2.16 0.02 0.00 0.00 176.35 176.71 1ubw s PRO 351 N -3.93 2.97 0.59 1.29 0.04 -1.26 -4.81 135.00 129.88 1ubw s PRO 351 Ca 0.35 0.95 0.29 0.00 0.04 0.00 0.00 61.00 62.64 1ubw s PRO 351 Cb -0.08 -4.29 1.40 0.00 0.04 0.00 0.00 34.50 31.57 1ubw s PRO 351 CO 0.27 -2.31 1.79 0.87 0.04 0.00 0.00 177.00 177.66 1ubw h LYS 352 N 13.86 0.00 0.00 4.56 1.57 -1.93 0.75 116.57 135.39 1ubw h LYS 352 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1ubw h LYS 352 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1ubw h LYS 352 CO 1.14 0.00 0.12 0.93 -0.57 0.00 0.00 179.45 181.07 1ubw h GLU 353 N 0.00 0.00 -0.02 3.15 4.39 -1.99 0.84 114.58 120.95 1ubw h GLU 353 Ca 0.30 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.90 1ubw h GLU 353 Cb 1.58 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.24 1ubw h GLU 353 CO -0.00 0.00 -0.38 0.82 -1.16 0.00 0.00 179.01 178.29 1ubw h ILE 354 N 0.00 1.48 0.00 3.13 2.04 0.14 -3.20 117.51 121.10 1ubw h ILE 354 Ca 0.00 -1.94 -0.06 0.00 1.00 0.00 0.00 64.86 63.86 1ubw h ILE 354 Cb 0.24 2.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 1ubw h ILE 354 CO 0.00 0.55 -0.29 -0.26 0.00 0.00 0.00 178.15 178.15 1ubw h PHE 355 N -0.30 0.00 0.17 1.37 0.04 -0.98 -3.11 116.94 114.14 1ubw h PHE 355 Ca -0.04 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.45 1ubw h PHE 355 Cb 1.10 0.00 0.02 0.00 2.20 0.00 0.00 35.95 39.27 1ubw h PHE 355 CO 0.16 0.29 -1.32 -0.07 -0.60 0.00 0.00 178.31 176.77 1ubw h LEU 356 N 0.00 0.57 -1.56 1.54 3.38 -1.54 -0.73 115.31 116.98 1ubw h LEU 356 Ca -0.00 -0.92 -0.04 0.00 0.09 0.00 0.00 57.88 57.01 1ubw h LEU 356 Cb 1.00 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1ubw h LEU 356 CO 0.04 1.61 -0.11 1.23 0.09 0.00 0.00 178.44 181.30 1ubw h GLY 357 N 0.07 0.16 0.79 0.83 0.00 -1.63 3.11 103.07 106.39 1ubw h GLY 357 Ca -0.25 -0.09 -0.21 0.00 0.00 0.00 0.00 47.33 46.78 1ubw h GLY 357 CO 0.16 0.08 -0.89 -2.00 0.00 0.00 0.00 176.54 173.89 1ubw h LEU 358 N 0.14 0.54 -0.72 3.11 5.85 -1.63 -3.07 115.31 119.54 1ubw h LEU 358 Ca 0.03 -0.92 0.01 0.00 0.84 0.00 0.00 57.88 57.84 1ubw h LEU 358 Cb 0.29 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1ubw h LEU 358 CO 0.02 1.42 0.47 0.00 -0.34 0.00 0.00 178.44 180.01 1ubw h ALA 359 N 0.13 0.92 -0.08 1.25 0.00 0.51 -1.87 119.26 120.12 1ubw h ALA 359 Ca -0.15 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1ubw h ALA 359 Cb 1.68 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1ubw h ALA 359 CO 0.17 0.30 0.06 0.37 0.00 0.00 0.00 179.25 180.15 1ubw h GLN 360 N 0.95 0.00 -0.55 0.00 4.15 0.55 0.43 115.11 120.64 1ubw h GLN 360 Ca 0.27 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.69 1ubw h GLN 360 Cb -0.07 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.62 1ubw h GLN 360 CO -0.07 0.00 0.00 0.36 -1.93 0.00 0.00 178.83 177.19 1ubw n LYS 361 N -4.22 2.30 0.00 1.69 2.85 -0.72 -4.64 118.16 115.42 1ubw n LYS 361 Ca -0.01 -2.02 0.00 0.00 -1.05 0.00 0.00 58.31 55.22 1ubw n LYS 361 Cb 0.17 -1.44 0.00 0.00 -0.65 0.00 0.00 35.03 33.11 1ubw n LYS 361 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1ubw n ILE 362 N 1.15 0.00 -1.77 0.58 -0.00 0.13 -4.95 119.36 114.50 1ubw n ILE 362 Ca 0.19 0.16 -0.42 0.00 -0.00 0.00 0.00 62.75 62.68 1ubw n ILE 362 Cb 0.48 -1.06 -0.03 0.00 -0.00 0.00 0.00 39.64 39.03 1ubw n ILE 362 CO 0.00 0.00 0.00 -0.31 -0.00 0.00 0.00 176.55 176.24 1ubw s TYR 363 N -0.54 1.57 0.04 1.39 1.51 -1.12 -4.70 117.35 115.50 1ubw s TYR 363 Ca 0.00 -0.24 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 1ubw s TYR 363 Cb 0.00 -4.15 0.00 0.00 -0.11 0.00 0.00 41.96 37.70 1ubw s TYR 363 CO 0.00 -5.03 0.00 1.63 -1.11 0.00 0.00 175.55 171.04 1ubw n LYS 364 N 7.20 0.00 0.00 -0.62 5.02 -1.26 -4.92 118.16 123.59 1ubw n LYS 364 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1ubw n LYS 364 Cb 0.41 -0.05 0.00 0.00 -0.02 0.00 0.00 35.03 35.37 1ubw n LYS 364 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1ubw n ARG 365 N -2.70 0.00 -2.98 1.97 0.00 -1.26 -5.03 116.66 106.66 1ubw n ARG 365 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.72 1ubw n ARG 365 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.43 1ubw n ARG 365 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1ubw n GLN 366 N -1.62 0.46 -0.93 -0.14 7.27 -1.26 -5.15 117.38 116.02 1ubw n GLN 366 Ca 0.00 -2.44 0.00 0.00 0.07 0.00 0.00 57.00 54.63 1ubw n GLN 366 Cb 0.00 -1.52 0.00 0.00 2.41 0.00 0.00 30.24 31.13 1ubw n GLN 366 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76