#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wmu s LEU 2 N 0.00 4.28 0.71 4.03 1.43 -1.26 -5.02 118.68 122.85 1wmu s LEU 2 Ca 0.00 1.87 -0.05 0.00 -1.03 0.00 0.00 54.13 54.91 1wmu s LEU 2 Cb 0.00 -3.56 0.08 0.00 0.03 0.00 0.00 46.19 42.75 1wmu s LEU 2 CO 0.00 -0.61 1.01 0.42 0.23 0.00 0.00 176.35 177.40 1wmu s THR 3 N 2.26 2.28 0.32 5.49 -4.23 -1.26 -4.91 115.64 115.58 1wmu s THR 3 Ca 0.57 -0.36 0.04 0.00 -1.18 0.00 0.00 61.69 60.76 1wmu s THR 3 Cb -0.26 -2.92 0.13 0.00 1.34 0.00 0.00 72.50 70.80 1wmu s THR 3 CO 0.23 0.00 1.83 -0.33 -0.54 0.00 0.00 174.62 175.81 1wmu h GLU 4 N -0.60 0.49 -0.44 3.99 4.39 -1.99 -1.62 114.58 118.80 1wmu h GLU 4 Ca -0.43 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.10 1wmu h GLU 4 Cb 1.30 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.87 1wmu h GLU 4 CO 0.53 0.58 0.07 -0.44 -1.16 0.00 0.00 179.01 178.59 1wmu h ASP 5 N 0.46 0.70 -0.39 1.42 5.19 -1.99 -1.53 116.42 120.27 1wmu h ASP 5 Ca 0.09 -0.26 0.03 0.00 -0.62 0.00 0.00 57.03 56.27 1wmu h ASP 5 Cb 0.43 -0.19 -0.04 0.00 0.18 0.00 0.00 39.33 39.72 1wmu h ASP 5 CO 0.02 0.78 0.18 0.44 -3.12 0.00 0.00 179.24 177.55 1wmu h ASP 6 N 0.58 0.25 -0.87 6.45 3.32 -1.78 -1.00 116.42 123.37 1wmu h ASP 6 Ca 0.13 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1wmu h ASP 6 Cb 0.39 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 1wmu h ASP 6 CO 0.01 0.19 0.51 0.11 -1.72 0.00 0.00 179.24 178.34 1wmu h LYS 7 N 0.37 1.19 -0.47 3.56 1.57 -1.10 0.02 116.57 121.72 1wmu h LYS 7 Ca 0.17 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.73 1wmu h LYS 7 Cb 0.10 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1wmu h LYS 7 CO -0.13 0.85 -0.10 1.96 -0.57 0.00 0.00 179.45 181.45 1wmu h GLN 8 N 1.21 0.91 -0.73 3.15 4.20 -0.88 -0.50 115.11 122.46 1wmu h GLN 8 Ca 0.31 -0.34 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 1wmu h GLN 8 Cb -0.03 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 1wmu h GLN 8 CO -0.06 0.99 0.23 -0.07 -0.67 0.00 0.00 178.83 179.26 1wmu h LEU 9 N 0.75 1.05 0.03 1.46 3.38 -0.84 -1.63 115.31 119.51 1wmu h LEU 9 Ca 0.12 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1wmu h LEU 9 Cb 0.65 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1wmu h LEU 9 CO 0.04 0.98 -0.02 0.40 0.09 0.00 0.00 178.44 179.93 1wmu h ILE 10 N 1.08 1.09 -0.75 1.22 2.04 -0.76 -2.87 117.51 118.57 1wmu h ILE 10 Ca 0.24 -0.38 0.03 0.00 1.00 0.00 0.00 64.86 65.74 1wmu h ILE 10 Cb 0.30 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.68 1wmu h ILE 10 CO -0.01 0.10 0.48 -0.61 0.00 0.00 0.00 178.15 178.11 1wmu h GLN 11 N -0.21 0.91 -0.71 2.37 5.75 -0.95 0.12 115.11 122.39 1wmu h GLN 11 Ca -0.00 -0.06 0.04 0.00 -0.15 0.00 0.00 58.65 58.48 1wmu h GLN 11 Cb 0.19 -0.21 -0.05 0.00 1.07 0.00 0.00 27.48 28.49 1wmu h GLN 11 CO 0.01 0.61 0.44 1.25 -2.65 0.00 0.00 178.83 178.48 1wmu h HIS 12 N 0.94 0.82 -0.10 3.99 2.76 -1.26 -1.63 115.15 120.67 1wmu h HIS 12 Ca 0.30 0.02 -0.21 0.00 -2.20 0.00 0.00 60.37 58.29 1wmu h HIS 12 Cb -0.00 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 28.70 1wmu h HIS 12 CO -0.03 0.45 -0.78 0.28 -1.30 0.00 0.00 177.93 176.55 1wmu h VAL 13 N 0.84 1.34 -0.51 5.26 2.07 -1.22 -3.31 116.25 120.71 1wmu h VAL 13 Ca 0.30 -2.10 -0.05 0.00 0.82 0.00 0.00 66.70 65.67 1wmu h VAL 13 Cb 0.07 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 1wmu h VAL 13 CO -0.13 0.65 0.12 -0.25 0.02 0.00 0.00 177.57 177.97 1wmu h TRP 14 N 0.38 0.80 0.00 1.57 2.91 -0.23 -2.54 115.95 118.85 1wmu h TRP 14 Ca -0.05 -0.07 -0.01 0.00 1.13 0.00 0.00 58.89 59.90 1wmu h TRP 14 Cb 1.38 -0.24 -0.00 0.00 -0.51 0.00 0.00 29.16 29.80 1wmu h TRP 14 CO 0.06 0.68 -0.03 1.05 -1.03 0.00 0.00 178.44 179.18 1wmu h GLU 15 N 0.75 0.00 0.06 2.65 4.11 -1.40 -0.66 114.58 120.08 1wmu h GLU 15 Ca 0.17 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.38 1wmu h GLU 15 Cb 0.29 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.56 1wmu h GLU 15 CO -0.00 0.03 -0.86 0.87 0.07 0.00 0.00 179.01 179.11 1wmu h LYS 16 N 0.00 0.48 -0.59 1.06 1.57 -1.63 -3.29 116.57 114.18 1wmu h LYS 16 Ca -0.00 -0.60 0.02 0.00 -1.87 0.00 0.00 60.65 58.20 1wmu h LYS 16 Cb 0.18 0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 1wmu h LYS 16 CO 0.00 1.23 0.38 0.28 -0.57 0.00 0.00 179.45 180.77 1wmu h VAL 17 N 0.01 1.11 0.00 0.50 2.07 -1.07 -2.07 116.25 116.79 1wmu h VAL 17 Ca -0.12 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1wmu h VAL 17 Cb 1.58 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1wmu h VAL 17 CO 0.17 0.14 0.00 -0.07 0.02 0.00 0.00 177.57 177.83 1wmu h LEU 18 N 0.76 0.00 -0.11 2.57 3.38 -1.26 -0.49 115.31 120.17 1wmu h LEU 18 Ca 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1wmu h LEU 18 Cb -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1wmu h LEU 18 CO -0.07 0.00 -0.02 -0.33 0.09 0.00 0.00 178.44 178.10 1wmu h GLU 19 N 0.00 0.00 -1.14 1.13 5.08 -1.43 -3.35 114.58 114.86 1wmu h GLU 19 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.99 1wmu h GLU 19 Cb 0.01 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 28.90 1wmu h GLU 19 CO 0.00 0.02 -1.05 0.72 -1.00 0.00 0.00 179.01 177.70 1wmu n HIS 20 N -3.11 0.17 -0.22 4.33 8.25 -0.25 -4.97 115.22 119.42 1wmu n HIS 20 Ca 0.04 -2.97 0.03 0.00 -0.26 0.00 0.00 57.72 54.55 1wmu n HIS 20 Cb 0.52 -0.03 0.14 0.00 1.12 0.00 0.00 29.99 31.74 1wmu n HIS 20 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1wmu h GLN 21 N 2.89 0.26 0.27 -0.41 4.20 -1.56 -1.21 115.11 119.56 1wmu h GLN 21 Ca -0.06 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1wmu h GLN 21 Cb 1.12 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.85 1wmu h GLN 21 CO 0.41 0.17 -0.13 0.93 -0.67 0.00 0.00 178.83 179.54 1wmu h GLU 22 N 0.27 -0.35 0.06 1.46 5.08 -1.86 -0.72 114.58 118.51 1wmu h GLU 22 Ca 0.37 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.77 1wmu h GLU 22 Cb 0.58 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 1wmu h GLU 22 CO -0.46 -0.18 -0.19 -0.44 -1.00 0.00 0.00 179.01 176.73 1wmu h ASP 23 N -0.44 -0.56 0.24 1.42 3.32 -1.79 0.29 116.42 118.90 1wmu h ASP 23 Ca -0.04 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1wmu h ASP 23 Cb 0.33 0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1wmu h ASP 23 CO 0.06 -0.27 -0.17 -0.26 -1.72 0.00 0.00 179.24 176.88 1wmu h PHE 24 N -0.35 -0.45 -0.34 4.55 -1.00 -1.24 -1.19 116.94 116.93 1wmu h PHE 24 Ca 0.04 -0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.87 1wmu h PHE 24 Cb 0.39 0.16 -0.04 0.00 3.61 0.00 0.00 35.95 40.07 1wmu h PHE 24 CO -0.21 -0.26 0.08 0.78 -1.61 0.00 0.00 178.31 177.08 1wmu h GLY 25 N -0.41 0.40 1.21 -1.45 0.00 -1.01 -1.28 103.07 100.53 1wmu h GLY 25 Ca -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 1wmu h GLY 25 CO 0.01 -0.01 0.36 0.00 0.00 0.00 0.00 176.54 176.90 1wmu h ALA 26 N 1.25 1.27 -0.49 3.60 0.00 -0.84 -1.66 119.26 122.39 1wmu h ALA 26 Ca 0.16 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1wmu h ALA 26 Cb 0.17 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1wmu h ALA 26 CO -0.20 0.57 -0.12 1.49 0.00 0.00 0.00 179.25 180.99 1wmu h GLU 27 N 1.03 0.95 -0.37 0.00 4.81 -0.67 -0.18 114.58 120.14 1wmu h GLU 27 Ca 0.25 -0.36 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1wmu h GLU 27 Cb 0.08 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1wmu h GLU 27 CO -0.04 1.03 0.16 0.00 -0.73 0.00 0.00 179.01 179.43 1wmu h ALA 28 N 0.89 0.48 -0.46 2.92 0.00 -0.97 -1.38 119.26 120.74 1wmu h ALA 28 Ca 0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1wmu h ALA 28 Cb 0.68 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1wmu h ALA 28 CO 0.05 0.07 0.16 -0.07 0.00 0.00 0.00 179.25 179.46 1wmu h LEU 29 N 0.46 0.66 -0.93 0.00 3.38 -1.18 -2.16 115.31 115.54 1wmu h LEU 29 Ca 0.13 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1wmu h LEU 29 Cb 0.16 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1wmu h LEU 29 CO -0.01 0.67 -0.10 -0.33 0.09 0.00 0.00 178.44 178.76 1wmu h GLU 30 N 0.61 0.67 -0.66 1.13 5.08 -0.89 -0.55 114.58 119.97 1wmu h GLU 30 Ca 0.15 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1wmu h GLU 30 Cb 0.24 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1wmu h GLU 30 CO -0.01 0.76 0.08 0.00 -1.00 0.00 0.00 179.01 178.84 1wmu h ARG 31 N 0.62 1.10 -0.24 2.33 3.08 -1.12 -0.85 114.38 119.30 1wmu h ARG 31 Ca 0.11 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 1wmu h ARG 31 Cb 0.54 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1wmu h ARG 31 CO 0.03 1.02 0.09 1.98 -1.07 0.00 0.00 179.97 182.03 1wmu h MET 32 N 1.02 0.35 -0.56 0.04 4.05 -0.90 0.15 114.93 119.08 1wmu h MET 32 Ca 0.20 -0.07 -0.04 0.00 -0.28 0.00 0.00 59.70 59.51 1wmu h MET 32 Cb 0.48 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.19 1wmu h MET 32 CO 0.02 0.40 0.19 0.74 0.23 0.00 0.00 176.91 178.50 1wmu h PHE 33 N 0.23 0.84 0.13 1.39 0.04 -0.92 0.24 116.94 118.89 1wmu h PHE 33 Ca 0.08 -0.06 -0.19 0.00 2.80 0.00 0.00 57.97 60.60 1wmu h PHE 33 Cb 0.18 -0.25 0.02 0.00 2.20 0.00 0.00 35.95 38.10 1wmu h PHE 33 CO -0.01 0.67 -0.85 0.82 -0.60 0.00 0.00 178.31 178.34 1wmu h ILE 34 N 0.81 1.47 -0.00 -0.55 2.04 -1.01 -3.01 117.51 117.27 1wmu h ILE 34 Ca 0.19 -2.52 -0.24 0.00 1.00 0.00 0.00 64.86 63.29 1wmu h ILE 34 Cb 0.21 3.16 0.01 0.00 -0.74 0.00 0.00 36.82 39.45 1wmu h ILE 34 CO -0.01 0.71 -0.97 0.58 0.00 0.00 0.00 178.15 178.45 1wmu h VAL 35 N -0.40 1.36 -2.15 1.67 2.07 -0.71 -3.37 116.25 114.73 1wmu h VAL 35 Ca -0.15 -2.38 -0.59 0.00 0.82 0.00 0.00 66.70 64.40 1wmu h VAL 35 Cb 1.63 2.40 -0.41 0.00 -1.52 0.00 0.00 31.29 33.39 1wmu h VAL 35 CO 0.13 0.72 -0.71 -1.22 0.02 0.00 0.00 177.57 176.51 1wmu n TYR 36 N -3.78 2.74 -0.26 1.57 4.01 0.85 -4.96 117.16 117.32 1wmu n TYR 36 Ca -0.08 -4.02 0.33 0.00 -0.16 0.00 0.00 57.90 53.97 1wmu n TYR 36 Cb 0.85 -0.51 0.68 0.00 -0.31 0.00 0.00 39.34 40.05 1wmu n TYR 36 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1wmu h PRO 37 N 4.12 0.00 -0.16 -0.72 0.13 -1.66 -0.42 132.00 133.29 1wmu h PRO 37 Ca 0.17 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.34 1wmu h PRO 37 Cb 0.71 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 1wmu h PRO 37 CO 0.75 0.00 0.11 1.03 -0.23 0.00 0.00 178.00 179.66 1wmu h SER 38 N 0.00 0.04 0.62 1.44 0.87 -1.90 -1.21 113.55 113.42 1wmu h SER 38 Ca 0.52 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.08 1wmu h SER 38 Cb 2.40 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 64.36 1wmu h SER 38 CO -0.01 0.03 0.00 0.71 -0.53 0.00 0.00 176.83 177.03 1wmu h THR 39 N 0.05 0.00 0.00 2.23 1.35 -1.38 -2.81 112.91 112.35 1wmu h THR 39 Ca 0.07 -0.31 -0.01 0.00 -0.55 0.00 0.00 66.41 65.61 1wmu h THR 39 Cb 0.23 1.31 -0.00 0.00 -1.73 0.00 0.00 68.15 67.96 1wmu h THR 39 CO -0.01 0.00 -0.06 0.11 -0.25 0.00 0.00 175.52 175.31 1wmu h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.40 -2.73 116.57 118.73 1wmu h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wmu h LYS 40 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1wmu h LYS 40 CO 0.00 0.06 0.00 0.25 -0.57 0.00 0.00 179.45 179.19 1wmu n THR 41 N -3.46 1.05 0.76 -0.16 -2.24 -1.06 -1.31 114.28 107.86 1wmu n THR 41 Ca -0.02 0.26 0.13 0.00 -2.27 0.00 0.00 64.05 62.15 1wmu n THR 41 Cb 0.20 -1.05 0.31 0.00 -2.10 0.00 0.00 70.33 67.68 1wmu n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1wmu n TYR 42 N -1.45 0.40 -2.48 4.78 4.01 -1.03 -4.20 117.16 117.20 1wmu n TYR 42 Ca 0.04 0.12 -0.24 0.00 -0.16 0.00 0.00 57.90 57.66 1wmu n TYR 42 Cb 0.13 -0.59 0.01 0.00 -0.31 0.00 0.00 39.34 38.58 1wmu n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1wmu n PHE 43 N -1.89 3.00 0.26 -0.72 3.01 -0.43 -4.84 117.46 115.85 1wmu n PHE 43 Ca 0.05 -2.99 0.11 0.00 1.01 0.00 0.00 57.45 55.63 1wmu n PHE 43 Cb 0.40 -0.15 0.70 0.00 -0.01 0.00 0.00 39.48 40.42 1wmu n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1wmu h PRO 44 N 2.61 0.00 0.00 -1.08 0.13 -1.73 -1.83 132.00 130.11 1wmu h PRO 44 Ca 0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 1wmu h PRO 44 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1wmu h PRO 44 CO 0.78 0.12 0.00 -2.39 -0.23 0.00 0.00 178.00 176.28 1wmu n HIS 45 N -3.81 0.00 -3.67 1.56 1.44 -1.26 -4.84 115.22 104.64 1wmu n HIS 45 Ca -0.02 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.34 1wmu n HIS 45 Cb 0.22 -0.38 -0.05 0.00 0.12 0.00 0.00 29.99 29.90 1wmu n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1wmu s PHE 46 N -2.76 3.58 -0.28 -1.40 0.40 -0.69 -5.05 117.98 111.80 1wmu s PHE 46 Ca 0.21 0.68 -0.26 0.00 -0.60 0.00 0.00 56.93 56.96 1wmu s PHE 46 Cb 0.19 -2.07 0.00 0.00 0.51 0.00 0.00 43.02 41.65 1wmu s PHE 46 CO 0.47 0.57 0.91 0.34 0.70 0.00 0.00 175.22 178.22 1wmu s ASP 47 N -1.71 6.86 -0.30 1.36 -1.08 -1.26 -4.91 116.67 115.63 1wmu s ASP 47 Ca 0.30 1.00 0.10 0.00 -0.52 0.00 0.00 52.55 53.42 1wmu s ASP 47 Cb -0.14 -2.47 0.72 0.00 -1.46 0.00 0.00 42.92 39.57 1wmu s ASP 47 CO 0.17 -0.65 1.74 0.18 0.52 0.00 0.00 175.17 177.13 1wmu n LEU 48 N 6.31 5.86 -4.81 -1.34 4.77 -1.26 -4.54 117.00 121.98 1wmu n LEU 48 Ca 0.08 -3.04 -0.33 0.00 -0.03 0.00 0.00 56.01 52.69 1wmu n LEU 48 Cb 0.47 -0.73 -0.02 0.00 -2.33 0.00 0.00 43.42 40.81 1wmu n LEU 48 CO 0.52 0.76 0.70 -1.00 -1.33 0.00 0.00 177.39 177.03 1wmu s HIS 49 N -2.82 3.15 0.09 -1.77 3.76 -1.26 -4.93 115.29 111.51 1wmu s HIS 49 Ca 0.52 1.53 -0.36 0.00 -0.15 0.00 0.00 55.06 56.60 1wmu s HIS 49 Cb 0.41 -2.95 -0.17 0.00 1.11 0.00 0.00 32.58 30.98 1wmu s HIS 49 CO 0.13 -0.73 1.26 1.58 -0.85 0.00 0.00 174.74 176.13 1wmu n HIS 50 N -1.46 1.31 -2.05 1.40 -0.00 -1.26 -1.72 115.22 111.44 1wmu n HIS 50 Ca 0.08 0.71 -0.18 0.00 0.46 0.00 0.00 57.72 58.79 1wmu n HIS 50 Cb 0.53 -2.28 -0.04 0.00 -0.12 0.00 0.00 29.99 28.08 1wmu n HIS 50 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1wmu n ASP 51 N 2.27 -5.04 -4.69 0.26 8.00 -1.26 -4.97 116.55 111.12 1wmu n ASP 51 Ca 0.18 0.21 -0.33 0.00 0.71 0.00 0.00 54.79 55.56 1wmu n ASP 51 Cb 0.18 -4.33 0.13 0.00 -0.02 0.00 0.00 41.12 37.08 1wmu n ASP 51 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1wmu s SER 52 N -2.24 3.51 0.20 -2.24 1.04 -0.70 -4.76 113.70 108.51 1wmu s SER 52 Ca 0.00 2.34 -0.10 0.00 0.48 0.00 0.00 55.95 58.67 1wmu s SER 52 Cb 0.00 -2.59 0.19 0.00 0.10 0.00 0.00 66.02 63.72 1wmu s SER 52 CO 0.00 -2.72 1.84 -0.08 0.98 0.00 0.00 173.24 173.26 1wmu h GLU 53 N -1.02 0.77 -0.57 4.02 4.81 -1.91 -1.51 114.58 119.17 1wmu h GLU 53 Ca -0.46 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.67 1wmu h GLU 53 Cb 1.29 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 1wmu h GLU 53 CO 0.46 0.51 0.12 1.96 -0.73 0.00 0.00 179.01 181.32 1wmu h GLN 54 N 0.80 0.90 -0.27 1.92 4.20 -1.91 -0.70 115.11 120.05 1wmu h GLN 54 Ca 0.28 -0.20 -0.09 0.00 0.06 0.00 0.00 58.65 58.69 1wmu h GLN 54 Cb 0.05 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1wmu h GLN 54 CO -0.12 0.82 -0.20 0.82 -0.67 0.00 0.00 178.83 179.48 1wmu h ILE 55 N 0.86 1.31 -0.31 2.54 2.04 -1.71 -1.89 117.51 120.35 1wmu h ILE 55 Ca 0.18 -1.33 -0.04 0.00 1.00 0.00 0.00 64.86 64.66 1wmu h ILE 55 Cb 0.34 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1wmu h ILE 55 CO 0.00 0.42 0.02 0.03 0.00 0.00 0.00 178.15 178.62 1wmu h ARG 56 N 0.33 0.54 -0.67 2.37 3.08 -1.11 0.16 114.38 119.07 1wmu h ARG 56 Ca 0.05 -0.16 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 1wmu h ARG 56 Cb 0.74 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.71 1wmu h ARG 56 CO 0.05 0.66 0.11 0.45 -1.07 0.00 0.00 179.97 180.17 1wmu h HIS 57 N 0.34 1.18 -0.29 3.04 3.86 -1.17 -1.52 115.15 120.60 1wmu h HIS 57 Ca 0.09 -0.16 -0.15 0.00 -1.16 0.00 0.00 60.37 58.98 1wmu h HIS 57 Cb 0.41 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 1wmu h HIS 57 CO 0.03 0.99 -0.44 1.25 0.86 0.00 0.00 177.93 180.62 1wmu h HIS 58 N 1.04 0.89 -0.71 2.45 -0.00 -1.26 -2.27 115.15 115.29 1wmu h HIS 58 Ca 0.21 -0.28 0.05 0.00 -0.00 0.00 0.00 60.37 60.35 1wmu h HIS 58 Cb 0.44 -0.18 -0.05 0.00 -0.00 0.00 0.00 27.41 27.62 1wmu h HIS 58 CO 0.03 1.04 0.42 0.78 -0.00 0.00 0.00 177.93 180.21 1wmu h GLY 59 N 0.92 1.05 1.05 5.26 0.00 -0.37 0.54 103.07 111.51 1wmu h GLY 59 Ca 0.04 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 1wmu h GLY 59 CO 0.09 0.22 0.31 1.70 0.00 0.00 0.00 176.54 178.85 1wmu h LYS 60 N 0.79 1.18 -0.61 4.80 3.11 -1.08 -1.92 116.57 122.84 1wmu h LYS 60 Ca 0.31 -0.22 -0.05 0.00 -2.81 0.00 0.00 60.65 57.88 1wmu h LYS 60 Cb 0.13 -0.19 -0.03 0.00 -1.00 0.00 0.00 32.23 31.15 1wmu h LYS 60 CO -0.16 0.96 0.20 0.87 -2.81 0.00 0.00 179.45 178.52 1wmu h LYS 61 N 1.14 0.94 -0.22 1.90 1.79 -0.65 0.79 116.57 122.26 1wmu h LYS 61 Ca 0.26 -0.20 -0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1wmu h LYS 61 Cb 0.23 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 1wmu h LYS 61 CO -0.02 0.83 0.12 0.28 -1.08 0.00 0.00 179.45 179.58 1wmu h VAL 62 N 0.87 1.10 -0.54 0.50 2.07 -0.67 -1.13 116.25 118.45 1wmu h VAL 62 Ca 0.20 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 1wmu h VAL 62 Cb 0.27 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1wmu h VAL 62 CO -0.01 0.10 0.15 0.58 0.02 0.00 0.00 177.57 178.41 1wmu h VAL 63 N 0.25 1.22 -0.72 2.57 2.07 -1.15 -1.54 116.25 118.94 1wmu h VAL 63 Ca 0.08 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 1wmu h VAL 63 Cb 0.05 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1wmu h VAL 63 CO -0.01 0.29 0.33 1.23 0.02 0.00 0.00 177.57 179.43 1wmu h GLY 64 N 0.96 1.13 1.11 2.17 0.00 -0.44 0.26 103.07 108.27 1wmu h GLY 64 Ca 0.18 -0.58 -0.10 0.00 0.00 0.00 0.00 47.33 46.83 1wmu h GLY 64 CO -0.00 0.55 -0.03 0.00 0.00 0.00 0.00 176.54 177.06 1wmu h ALA 65 N 1.16 0.83 -0.22 3.60 0.00 -0.73 -1.41 119.26 122.48 1wmu h ALA 65 Ca 0.25 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1wmu h ALA 65 Cb 0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1wmu h ALA 65 CO -0.03 0.67 -0.20 -0.07 0.00 0.00 0.00 179.25 179.62 1wmu h LEU 66 N 0.96 0.39 -0.70 0.00 3.38 -0.97 -1.33 115.31 117.03 1wmu h LEU 66 Ca 0.16 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1wmu h LEU 66 Cb 0.59 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1wmu h LEU 66 CO 0.04 0.60 0.10 1.23 0.09 0.00 0.00 178.44 180.50 1wmu h GLY 67 N 0.96 1.18 1.53 0.83 0.00 -0.41 -0.51 103.07 106.64 1wmu h GLY 67 Ca 0.06 -0.79 -0.09 0.00 0.00 0.00 0.00 47.33 46.51 1wmu h GLY 67 CO 0.04 0.73 -0.21 -0.55 0.00 0.00 0.00 176.54 176.55 1wmu h ASP 68 N 1.02 0.55 -0.75 0.19 3.32 -0.81 -2.34 116.42 117.60 1wmu h ASP 68 Ca 0.20 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 1wmu h ASP 68 Cb 0.45 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 1wmu h ASP 68 CO 0.01 0.77 0.28 0.00 -1.72 0.00 0.00 179.24 178.58 1wmu h ALA 69 N 1.28 0.98 -0.66 3.45 0.00 -0.61 -1.58 119.26 122.11 1wmu h ALA 69 Ca 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1wmu h ALA 69 Cb 0.64 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1wmu h ALA 69 CO 0.05 0.62 0.39 0.28 0.00 0.00 0.00 179.25 180.58 1wmu h VAL 70 N 1.09 1.20 0.07 0.00 2.07 -0.67 -1.93 116.25 118.09 1wmu h VAL 70 Ca 0.25 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1wmu h VAL 70 Cb 0.24 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1wmu h VAL 70 CO -0.02 0.21 -0.04 0.11 0.02 0.00 0.00 177.57 177.86 1wmu h LYS 71 N 0.91 -0.09 -1.95 1.57 1.57 -1.03 -3.24 116.57 114.30 1wmu h LYS 71 Ca 0.24 0.01 -0.74 0.00 -1.87 0.00 0.00 60.65 58.29 1wmu h LYS 71 Cb -0.00 0.02 -0.30 0.00 0.08 0.00 0.00 32.23 32.03 1wmu h LYS 71 CO -0.04 0.06 0.69 0.72 -0.57 0.00 0.00 179.45 180.31 1wmu n HIS 72 N -5.07 3.07 0.30 -1.35 8.25 -0.63 -4.75 115.22 115.03 1wmu n HIS 72 Ca -0.08 -2.55 0.17 0.00 -0.26 0.00 0.00 57.72 55.00 1wmu n HIS 72 Cb 0.12 -0.97 0.92 0.00 1.12 0.00 0.00 29.99 31.19 1wmu n HIS 72 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 1wmu h ILE 73 N 2.16 0.36 -0.00 1.59 2.10 -1.37 -1.03 117.51 121.31 1wmu h ILE 73 Ca 0.50 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 66.24 1wmu h ILE 73 Cb 0.23 1.15 0.00 0.00 -1.09 0.00 0.00 36.82 37.11 1wmu h ILE 73 CO 1.28 0.04 -0.43 0.47 -1.08 0.00 0.00 178.15 178.43 1wmu n ASP 74 N -3.52 0.68 -2.67 2.19 8.00 -1.26 -4.19 116.55 115.78 1wmu n ASP 74 Ca -0.02 -0.47 -0.15 0.00 0.71 0.00 0.00 54.79 54.86 1wmu n ASP 74 Cb 0.14 0.23 0.01 0.00 -0.02 0.00 0.00 41.12 41.49 1wmu n ASP 74 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1wmu n ASN 75 N -1.23 2.35 0.38 -2.24 5.15 -0.41 -4.96 115.26 114.30 1wmu n ASN 75 Ca 0.08 -3.04 -0.18 0.00 -0.60 0.00 0.00 54.58 50.84 1wmu n ASN 75 Cb 0.34 -0.52 -0.09 0.00 -0.53 0.00 0.00 39.78 38.98 1wmu n ASN 75 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1wmu h LEU 76 N 2.89 -0.79 -0.52 1.20 3.38 -1.67 -2.26 115.31 117.54 1wmu h LEU 76 Ca 0.03 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.13 1wmu h LEU 76 Cb 1.07 0.20 -0.10 0.00 0.09 0.00 0.00 40.66 41.91 1wmu h LEU 76 CO 0.60 -0.56 -0.20 -1.28 0.09 0.00 0.00 178.44 177.09 1wmu h SER 77 N -0.93 -0.72 -0.43 -0.43 0.87 -1.93 -0.45 113.55 109.54 1wmu h SER 77 Ca -0.09 0.18 -0.04 0.00 -1.23 0.00 0.00 61.79 60.60 1wmu h SER 77 Cb 0.71 0.41 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 1wmu h SER 77 CO 0.16 -0.23 0.11 0.00 -0.53 0.00 0.00 176.83 176.33 1wmu h ALA 78 N 1.32 0.56 -0.29 6.23 0.00 -1.97 -1.87 119.26 123.24 1wmu h ALA 78 Ca 0.25 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1wmu h ALA 78 Cb 0.46 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1wmu h ALA 78 CO -0.58 0.24 -0.06 1.15 0.00 0.00 0.00 179.25 180.00 1wmu h THR 79 N 0.55 1.20 -0.49 0.00 2.02 -0.75 -3.02 112.91 112.42 1wmu h THR 79 Ca 0.13 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.47 1wmu h THR 79 Cb 0.31 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1wmu h THR 79 CO 0.00 0.28 0.00 0.18 0.37 0.00 0.00 175.52 176.35 1wmu n LEU 80 N -4.26 4.05 -0.12 2.58 4.77 -0.24 -4.69 117.00 119.10 1wmu n LEU 80 Ca 0.01 -2.43 -0.05 0.00 -0.03 0.00 0.00 56.01 53.51 1wmu n LEU 80 Cb 0.27 -0.47 0.01 0.00 -2.33 0.00 0.00 43.42 40.90 1wmu n LEU 80 CO 0.39 0.77 0.74 -1.28 -1.33 0.00 0.00 177.39 176.68 1wmu h SER 81 N 3.05 -0.59 -0.81 -1.43 0.87 -1.20 0.26 113.55 113.70 1wmu h SER 81 Ca 0.00 0.15 0.04 0.00 -1.23 0.00 0.00 61.79 60.74 1wmu h SER 81 Cb 1.24 0.33 -0.05 0.00 -0.44 0.00 0.00 62.40 63.48 1wmu h SER 81 CO 0.16 -0.21 0.51 -0.33 -0.53 0.00 0.00 176.83 176.43 1wmu h GLU 82 N -0.09 0.95 -0.06 2.24 4.39 -1.84 -1.47 114.58 118.70 1wmu h GLU 82 Ca 0.20 -0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.70 1wmu h GLU 82 Cb 0.40 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1wmu h GLU 82 CO -0.46 0.63 -0.58 -0.07 -1.16 0.00 0.00 179.01 177.37 1wmu h LEU 83 N 0.98 0.22 -0.65 1.33 3.38 -1.61 -1.89 115.31 117.07 1wmu h LEU 83 Ca 0.33 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 58.04 1wmu h LEU 83 Cb 0.05 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1wmu h LEU 83 CO -0.13 0.74 -0.47 0.77 0.09 0.00 0.00 178.44 179.45 1wmu h SER 84 N 0.15 0.54 -0.32 -0.43 4.64 0.02 -0.92 113.55 117.22 1wmu h SER 84 Ca -0.00 -0.26 -0.15 0.00 -0.47 0.00 0.00 61.79 60.91 1wmu h SER 84 Cb 1.06 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.99 1wmu h SER 84 CO 0.09 0.93 -0.37 0.78 -0.87 0.00 0.00 176.83 177.38 1wmu h ASN 85 N 0.40 0.91 0.17 4.97 2.35 -1.16 -2.27 115.58 120.95 1wmu h ASN 85 Ca 0.02 -0.41 -0.01 0.00 -0.55 0.00 0.00 56.30 55.36 1wmu h ASN 85 Cb 0.97 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 39.09 1wmu h ASN 85 CO 0.09 1.18 -0.08 0.25 -1.65 0.00 0.00 177.43 177.21 1wmu h LEU 86 N 0.71 -0.19 -1.09 1.61 5.85 -1.08 -0.01 115.31 121.11 1wmu h LEU 86 Ca 0.06 -0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 1wmu h LEU 86 Cb 0.94 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 1wmu h LEU 86 CO 0.09 -0.04 -0.42 0.45 -0.34 0.00 0.00 178.44 178.17 1wmu h HIS 87 N -0.33 0.07 0.00 1.25 3.86 -1.19 -0.55 115.15 118.27 1wmu h HIS 87 Ca -0.02 -0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.11 1wmu h HIS 87 Cb 0.26 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 1wmu h HIS 87 CO -0.03 0.48 -0.47 0.00 0.86 0.00 0.00 177.93 178.76 1wmu h ALA 88 N 1.52 0.06 0.03 2.45 0.00 -1.38 0.02 119.26 121.96 1wmu h ALA 88 Ca 0.00 -0.54 -0.17 0.00 0.00 0.00 0.00 54.91 54.21 1wmu h ALA 88 Cb 0.77 0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.93 1wmu h ALA 88 CO 0.06 0.34 -0.67 1.88 0.00 0.00 0.00 179.25 180.86 1wmu h TYR 89 N -1.00 0.62 0.00 0.00 0.05 -1.12 -3.00 116.97 112.52 1wmu h TYR 89 Ca -0.08 -0.36 -0.07 0.00 0.05 0.00 0.00 58.73 58.27 1wmu h TYR 89 Cb 0.64 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.31 1wmu h TYR 89 CO -0.01 1.19 -0.48 -0.97 -1.05 0.00 0.00 178.16 176.84 1wmu h ASN 90 N -0.13 0.00 1.28 3.88 -0.73 -1.42 -3.40 115.58 115.06 1wmu h ASN 90 Ca -0.09 -0.49 -0.03 0.00 1.87 0.00 0.00 56.30 57.56 1wmu h ASN 90 Cb 1.40 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.99 1wmu h ASN 90 CO 0.13 1.02 -0.73 -0.07 -0.37 0.00 0.00 177.43 177.41 1wmu h LEU 91 N -1.00 0.00 -1.59 0.34 3.38 -1.24 -3.49 115.31 111.71 1wmu h LEU 91 Ca -0.11 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.39 1wmu h LEU 91 Cb 0.83 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1wmu h LEU 91 CO -0.07 0.10 -0.83 0.54 0.09 0.00 0.00 178.44 178.27 1wmu n ARG 92 N -2.86 -4.34 -2.25 1.13 5.12 -0.48 -4.88 116.66 108.11 1wmu n ARG 92 Ca 0.00 0.52 -0.42 0.00 -1.93 0.00 0.00 57.85 56.02 1wmu n ARG 92 Cb 0.59 -5.02 -0.03 0.00 -1.16 0.00 0.00 32.46 26.84 1wmu n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1wmu s VAL 93 N -3.66 3.59 0.11 1.55 1.01 -0.13 -4.96 120.40 117.91 1wmu s VAL 93 Ca 0.21 1.10 -0.31 0.00 0.00 0.00 0.00 61.98 62.98 1wmu s VAL 93 Cb -0.11 -3.71 -0.09 0.00 0.00 0.00 0.00 36.38 32.48 1wmu s VAL 93 CO 0.85 0.06 1.58 -0.62 0.00 0.00 0.00 175.10 176.97 1wmu s ASP 94 N 1.29 6.63 0.45 3.32 -1.08 -1.26 -4.89 116.67 121.13 1wmu s ASP 94 Ca 0.63 2.50 0.23 0.00 -0.52 0.00 0.00 52.55 55.39 1wmu s ASP 94 Cb -0.34 -2.58 1.23 0.00 -1.46 0.00 0.00 42.92 39.78 1wmu s ASP 94 CO 0.29 -0.83 1.81 -0.65 0.52 0.00 0.00 175.17 176.31 1wmu h PRO 95 N 7.53 0.27 -0.75 4.34 0.11 -1.99 -0.19 132.00 141.31 1wmu h PRO 95 Ca -0.42 -0.02 0.11 0.00 0.11 0.00 0.00 66.00 65.79 1wmu h PRO 95 Cb 1.20 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 1wmu h PRO 95 CO 0.92 0.18 0.49 0.28 -0.21 0.00 0.00 178.00 179.65 1wmu h VAL 96 N 0.27 0.89 0.00 3.15 2.07 -2.02 -2.01 116.25 118.61 1wmu h VAL 96 Ca 0.55 -0.20 -0.06 0.00 0.82 0.00 0.00 66.70 67.81 1wmu h VAL 96 Cb 1.61 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1wmu h VAL 96 CO -0.19 0.10 -0.27 0.78 0.02 0.00 0.00 177.57 178.02 1wmu h ASN 97 N 0.57 0.00 -0.42 0.57 2.35 -1.40 -2.17 115.58 115.08 1wmu h ASN 97 Ca 0.35 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.03 1wmu h ASN 97 Cb 0.60 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 1wmu h ASN 97 CO -0.13 0.27 0.01 -0.26 -1.65 0.00 0.00 177.43 175.67 1wmu h PHE 98 N 0.00 0.86 -0.34 1.19 0.04 -1.47 -1.12 116.94 116.10 1wmu h PHE 98 Ca -0.00 -0.12 -0.11 0.00 2.80 0.00 0.00 57.97 60.54 1wmu h PHE 98 Cb 0.64 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 1wmu h PHE 98 CO 0.00 0.79 -0.23 0.87 -0.60 0.00 0.00 178.31 179.14 1wmu h LYS 99 N 0.76 0.66 -0.34 1.51 1.57 -1.45 -0.70 116.57 118.58 1wmu h LYS 99 Ca 0.15 -0.26 -0.07 0.00 -1.87 0.00 0.00 60.65 58.60 1wmu h LYS 99 Cb 0.45 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1wmu h LYS 99 CO 0.02 0.84 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.62 1wmu h LEU 100 N 0.58 0.63 -0.53 2.94 3.38 -0.98 -0.48 115.31 120.84 1wmu h LEU 100 Ca 0.08 -0.34 -0.13 0.00 0.09 0.00 0.00 57.88 57.58 1wmu h LEU 100 Cb 0.71 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1wmu h LEU 100 CO 0.05 0.82 -0.24 0.25 0.09 0.00 0.00 178.44 179.41 1wmu h LEU 101 N 0.43 0.96 -0.45 1.67 5.85 -1.14 -1.02 115.31 121.61 1wmu h LEU 101 Ca 0.09 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.46 1wmu h LEU 101 Cb 0.52 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1wmu h LEU 101 CO 0.03 1.15 0.27 0.28 -0.34 0.00 0.00 178.44 179.82 1wmu h SER 102 N 0.80 0.44 -0.43 1.25 0.02 -1.00 0.94 113.55 115.56 1wmu h SER 102 Ca 0.10 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1wmu h SER 102 Cb 0.81 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 1wmu h SER 102 CO 0.07 0.31 0.23 -0.74 -1.14 0.00 0.00 176.83 175.57 1wmu h HIS 103 N 0.54 0.60 -0.34 3.45 -0.00 -0.88 -1.54 115.15 116.98 1wmu h HIS 103 Ca 0.18 -0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.48 1wmu h HIS 103 Cb 0.01 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.21 1wmu h HIS 103 CO -0.07 0.46 -0.03 0.00 -0.00 0.00 0.00 177.93 178.29 1wmu h PHE 105 N 0.51 1.13 -0.33 0.00 3.57 -0.42 -1.75 116.94 119.66 1wmu h PHE 105 Ca 0.11 -0.16 -0.04 0.00 3.53 0.00 0.00 57.97 61.41 1wmu h PHE 105 Cb 0.38 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 1wmu h PHE 105 CO 0.01 0.97 0.05 1.96 -2.23 0.00 0.00 178.31 179.07 1wmu h GLN 106 N 0.97 0.49 -0.52 1.11 4.20 -0.60 -0.95 115.11 119.81 1wmu h GLN 106 Ca 0.19 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.72 1wmu h GLN 106 Cb 0.46 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 1wmu h GLN 106 CO 0.02 0.48 -0.04 0.28 -0.67 0.00 0.00 178.83 178.89 1wmu h VAL 107 N 0.48 1.27 -0.36 -0.54 2.07 -0.74 0.82 116.25 119.26 1wmu h VAL 107 Ca 0.11 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1wmu h VAL 107 Cb 0.23 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1wmu h VAL 107 CO 0.00 0.41 0.20 0.58 0.02 0.00 0.00 177.57 178.78 1wmu h VAL 108 N 0.82 1.14 -0.51 2.57 2.07 -0.79 0.23 116.25 121.78 1wmu h VAL 108 Ca 0.14 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1wmu h VAL 108 Cb 0.59 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 1wmu h VAL 108 CO 0.04 0.14 0.33 -0.07 0.02 0.00 0.00 177.57 178.03 1wmu h LEU 109 N 0.45 0.60 -0.53 2.57 4.07 -0.96 -1.19 115.31 120.32 1wmu h LEU 109 Ca 0.13 -0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 1wmu h LEU 109 Cb 0.05 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 41.62 1wmu h LEU 109 CO -0.02 0.45 0.31 1.23 -1.08 0.00 0.00 178.44 179.33 1wmu h GLY 110 N 0.69 0.78 1.25 0.83 0.00 -0.45 0.17 103.07 106.34 1wmu h GLY 110 Ca 0.19 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 47.13 1wmu h GLY 110 CO -0.04 0.33 0.18 0.00 0.00 0.00 0.00 176.54 177.01 1wmu h ALA 111 N 1.15 1.15 0.00 3.60 0.00 -0.64 0.18 119.26 124.70 1wmu h ALA 111 Ca 0.19 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1wmu h ALA 111 Cb 0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1wmu h ALA 111 CO -0.03 0.58 -0.84 0.45 0.00 0.00 0.00 179.25 179.41 1wmu h HIS 112 N 0.91 0.00 0.00 0.00 -0.00 -0.94 -3.34 115.15 111.78 1wmu h HIS 112 Ca 0.20 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.48 1wmu h HIS 112 Cb 0.28 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.67 1wmu h HIS 112 CO 0.02 0.71 -1.97 1.28 -0.00 0.00 0.00 177.93 177.97 1wmu n LEU 113 N -3.22 0.13 0.00 2.43 4.77 0.02 -5.03 117.00 116.09 1wmu n LEU 113 Ca -0.01 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1wmu n LEU 113 Cb 0.83 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 42.04 1wmu n LEU 113 CO 0.43 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1wmu n GLY 114 N 1.37 3.39 0.46 -0.72 0.00 0.62 -1.46 105.19 108.85 1wmu n GLY 114 Ca -0.11 0.06 0.32 0.00 0.00 0.00 0.00 46.02 46.29 1wmu n GLY 114 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1wmu h ARG 115 N 0.00 0.18 0.00 1.61 2.43 -1.96 -0.29 114.38 116.35 1wmu h ARG 115 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1wmu h ARG 115 Cb 0.00 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1wmu h ARG 115 CO 0.00 0.12 0.00 0.39 -1.51 0.00 0.00 179.97 178.97 1wmu n GLU 116 N -4.60 0.06 -2.72 0.20 1.02 -0.54 -4.14 120.64 109.92 1wmu n GLU 116 Ca 0.32 0.19 -0.43 0.00 -0.02 0.00 0.00 57.16 57.22 1wmu n GLU 116 Cb 1.24 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 31.07 1wmu n GLU 116 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1wmu n TYR 117 N -1.69 4.30 -1.60 -0.32 9.36 -0.12 -4.88 117.16 122.22 1wmu n TYR 117 Ca 0.05 -3.15 -0.29 0.00 3.32 0.00 0.00 57.90 57.82 1wmu n TYR 117 Cb 0.26 -2.14 0.12 0.00 -0.63 0.00 0.00 39.34 36.96 1wmu n TYR 117 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 1wmu s THR 118 N 1.32 2.14 0.37 2.97 -4.23 -1.26 -4.79 115.64 112.16 1wmu s THR 118 Ca 0.42 0.05 0.05 0.00 -1.18 0.00 0.00 61.69 61.03 1wmu s THR 118 Cb 0.02 -2.84 0.27 0.00 1.34 0.00 0.00 72.50 71.29 1wmu s THR 118 CO 0.01 -0.06 2.02 -0.65 -0.54 0.00 0.00 174.62 175.39 1wmu h PRO 119 N -1.38 0.71 -0.56 3.99 0.11 -1.95 0.10 132.00 133.02 1wmu h PRO 119 Ca -0.49 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.48 1wmu h PRO 119 Cb 1.32 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1wmu h PRO 119 CO 0.62 0.47 -0.04 1.96 -0.21 0.00 0.00 178.00 180.80 1wmu h GLN 120 N 0.73 1.00 -0.33 1.05 7.50 -1.98 -0.10 115.11 122.98 1wmu h GLN 120 Ca 0.22 -0.32 -0.16 0.00 0.50 0.00 0.00 58.65 58.89 1wmu h GLN 120 Cb -0.01 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 27.43 1wmu h GLN 120 CO -0.05 1.00 -0.41 0.28 -1.50 0.00 0.00 178.83 178.15 1wmu h VAL 121 N 0.91 1.28 -0.46 -0.54 2.07 -1.70 -2.31 116.25 115.50 1wmu h VAL 121 Ca 0.16 -1.59 -0.01 0.00 0.82 0.00 0.00 66.70 66.07 1wmu h VAL 121 Cb 0.58 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1wmu h VAL 121 CO 0.03 0.52 0.25 -0.61 0.02 0.00 0.00 177.57 177.78 1wmu h GLN 122 N 0.66 0.64 -0.36 1.57 4.15 -0.65 -1.20 115.11 119.93 1wmu h GLN 122 Ca 0.05 -0.08 0.03 0.00 0.77 0.00 0.00 58.65 59.42 1wmu h GLN 122 Cb 0.98 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.52 1wmu h GLN 122 CO 0.09 0.51 0.17 0.28 -1.93 0.00 0.00 178.83 177.96 1wmu h VAL 123 N 0.60 0.96 -0.16 2.39 2.07 -0.94 0.26 116.25 121.43 1wmu h VAL 123 Ca 0.16 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.59 1wmu h VAL 123 Cb 0.06 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1wmu h VAL 123 CO -0.03 0.06 -0.01 0.00 0.02 0.00 0.00 177.57 177.61 1wmu h ALA 124 N 1.20 0.13 -0.13 1.67 0.00 -1.08 -0.53 119.26 120.51 1wmu h ALA 124 Ca 0.16 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1wmu h ALA 124 Cb 0.08 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1wmu h ALA 124 CO -0.12 -0.46 -0.44 1.88 0.00 0.00 0.00 179.25 180.11 1wmu h TYR 125 N 0.03 0.38 -0.34 0.00 0.05 -0.91 -1.28 116.97 114.90 1wmu h TYR 125 Ca 0.07 -0.11 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 1wmu h TYR 125 Cb 0.10 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.74 1wmu h TYR 125 CO -0.17 0.71 0.16 0.22 -1.05 0.00 0.00 178.16 178.03 1wmu h ASP 126 N 0.26 0.44 -0.30 3.88 3.58 -0.01 0.17 116.42 124.44 1wmu h ASP 126 Ca 0.02 -0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.34 1wmu h ASP 126 Cb 0.89 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.81 1wmu h ASP 126 CO 0.07 0.45 0.19 0.11 -2.88 0.00 0.00 179.24 177.17 1wmu h LYS 127 N 0.41 0.41 0.26 0.28 1.57 -0.94 -0.63 116.57 117.92 1wmu h LYS 127 Ca 0.12 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1wmu h LYS 127 Cb 0.12 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1wmu h LYS 127 CO -0.01 0.31 -0.13 0.35 -0.57 0.00 0.00 179.45 179.40 1wmu h PHE 128 N 0.39 -0.32 -0.27 -1.35 3.57 -0.98 -0.99 116.94 116.99 1wmu h PHE 128 Ca 0.11 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 1wmu h PHE 128 Cb 0.00 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 1wmu h PHE 128 CO -0.04 -0.15 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.77 1wmu h LEU 129 N -0.42 0.39 -0.64 0.59 3.38 -0.64 -1.12 115.31 116.84 1wmu h LEU 129 Ca -0.04 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.73 1wmu h LEU 129 Cb 0.32 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1wmu h LEU 129 CO 0.06 0.49 -0.38 0.00 0.09 0.00 0.00 178.44 178.69 1wmu h ALA 130 N 1.57 0.82 -0.29 1.53 0.00 -0.95 -0.72 119.26 121.21 1wmu h ALA 130 Ca 0.09 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 1wmu h ALA 130 Cb 0.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1wmu h ALA 130 CO 0.01 0.65 -0.09 0.00 0.00 0.00 0.00 179.25 179.82 1wmu h ALA 131 N 1.05 0.40 -0.59 0.00 0.00 -0.56 -0.90 119.26 118.66 1wmu h ALA 131 Ca 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1wmu h ALA 131 Cb 0.90 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1wmu h ALA 131 CO 0.08 0.24 0.32 0.28 0.00 0.00 0.00 179.25 180.17 1wmu h VAL 132 N 0.33 1.20 -0.73 0.00 2.07 -1.12 -2.32 116.25 115.68 1wmu h VAL 132 Ca 0.07 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1wmu h VAL 132 Cb 0.58 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1wmu h VAL 132 CO 0.03 0.21 0.37 0.28 0.02 0.00 0.00 177.57 178.49 1wmu h SER 133 N 0.80 0.94 -0.89 0.57 0.02 -0.96 -1.16 113.55 112.87 1wmu h SER 133 Ca 0.21 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1wmu h SER 133 Cb 0.06 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.31 1wmu h SER 133 CO -0.03 0.79 0.56 0.00 -1.14 0.00 0.00 176.83 177.01 1wmu h ALA 134 N 1.18 1.13 -0.38 3.77 0.00 -0.87 -2.43 119.26 121.67 1wmu h ALA 134 Ca 0.25 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1wmu h ALA 134 Cb 0.09 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1wmu h ALA 134 CO -0.04 0.57 -0.16 0.28 0.00 0.00 0.00 179.25 179.91 1wmu h VAL 135 N 1.22 1.28 0.00 0.00 2.07 -0.94 -0.86 116.25 119.02 1wmu h VAL 135 Ca 0.32 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1wmu h VAL 135 Cb -0.09 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1wmu h VAL 135 CO -0.06 0.42 0.00 0.18 0.02 0.00 0.00 177.57 178.13 1wmu n LEU 136 N -4.30 0.54 -0.20 2.57 4.77 -0.48 -2.16 117.00 117.74 1wmu n LEU 136 Ca -0.02 0.68 0.02 0.00 -0.03 0.00 0.00 56.01 56.66 1wmu n LEU 136 Cb 0.40 -0.66 0.03 0.00 -2.33 0.00 0.00 43.42 40.86 1wmu n LEU 136 CO 0.44 -0.68 0.42 0.00 -1.33 0.00 0.00 177.39 176.23 1wmu n ALA 137 N -1.74 2.31 0.30 -1.18 0.00 -0.94 -4.39 120.51 114.88 1wmu n ALA 137 Ca 0.01 -0.76 0.17 0.00 0.00 0.00 0.00 53.44 52.86 1wmu n ALA 137 Cb 0.14 -0.15 0.78 0.00 0.00 0.00 0.00 19.45 20.22 1wmu n ALA 137 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1wmu h GLU 138 N 0.80 0.00 0.00 0.00 4.11 -0.64 -2.02 114.58 116.83 1wmu h GLU 138 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1wmu h GLU 138 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1wmu h GLU 138 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.71 1wmu n LYS 139 N -2.85 0.69 0.03 1.06 4.76 -1.26 -1.79 118.16 118.79 1wmu n LYS 139 Ca -0.00 0.01 0.12 0.00 -2.87 0.00 0.00 58.31 55.57 1wmu n LYS 139 Cb 0.20 -1.50 0.12 0.00 -1.84 0.00 0.00 35.03 32.02 1wmu n LYS 139 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1wmu n TYR 140 N -1.07 0.25 -0.26 2.13 4.01 -0.76 -5.00 117.16 116.47 1wmu n TYR 140 Ca 0.17 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.99 1wmu n TYR 140 Cb 0.11 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 38.73 1wmu n TYR 140 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29