#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wm9 s VAL 33 N 0.00 5.42 -0.95 3.84 1.01 -1.26 -5.04 120.40 123.43 1wm9 s VAL 33 Ca 0.00 0.18 -0.20 0.00 0.00 0.00 0.00 61.98 61.96 1wm9 s VAL 33 Cb 0.00 -3.48 0.10 0.00 0.00 0.00 0.00 36.38 33.00 1wm9 s VAL 33 CO 0.00 0.52 1.22 -0.62 0.00 0.00 0.00 175.10 176.22 1wm9 s ASP 34 N -1.31 6.57 0.33 3.32 -1.08 -1.26 -4.87 116.67 118.37 1wm9 s ASP 34 Ca 0.20 -1.81 0.04 0.00 -0.52 0.00 0.00 52.55 50.47 1wm9 s ASP 34 Cb -0.13 -2.45 0.67 0.00 -1.46 0.00 0.00 42.92 39.55 1wm9 s ASP 34 CO 0.09 -1.22 1.92 -0.07 0.52 0.00 0.00 175.17 176.41 1wm9 h LEU 35 N 11.21 0.76 -0.74 -1.34 3.38 -1.96 -1.46 115.31 125.16 1wm9 h LEU 35 Ca 0.15 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 1wm9 h LEU 35 Cb 1.02 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1wm9 h LEU 35 CO 1.21 0.47 -0.18 -0.33 0.09 0.00 0.00 178.44 179.70 1wm9 h GLU 36 N 0.85 0.77 -0.25 1.13 4.39 -1.99 0.29 114.58 119.78 1wm9 h GLU 36 Ca 0.38 -0.29 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 1wm9 h GLU 36 Cb 0.34 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1wm9 h GLU 36 CO -0.15 0.89 0.01 -0.09 -1.16 0.00 0.00 179.01 178.52 1wm9 h ARG 37 N 0.68 0.43 -0.63 2.33 9.65 -1.78 -2.17 114.38 122.89 1wm9 h ARG 37 Ca 0.10 -0.13 -0.03 0.00 -1.10 0.00 0.00 59.98 58.82 1wm9 h ARG 37 Cb 0.67 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.18 1wm9 h ARG 37 CO 0.05 0.60 0.26 -0.07 2.80 0.00 0.00 179.97 183.61 1wm9 h LEU 38 N 0.22 0.87 0.06 3.80 3.38 -1.06 -1.72 115.31 120.86 1wm9 h LEU 38 Ca 0.07 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.90 1wm9 h LEU 38 Cb 0.39 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1wm9 h LEU 38 CO 0.01 0.79 -0.26 1.56 0.09 0.00 0.00 178.44 180.64 1wm9 h GLN 39 N 0.88 -0.42 -0.92 1.13 4.20 -0.26 -0.16 115.11 119.56 1wm9 h GLN 39 Ca 0.21 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.94 1wm9 h GLN 39 Cb 0.19 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.02 1wm9 h GLN 39 CO -0.02 -0.28 0.54 0.00 -0.67 0.00 0.00 178.83 178.41 1wm9 h ALA 40 N 0.34 1.22 -0.60 3.87 0.00 -1.28 -0.15 119.26 122.65 1wm9 h ALA 40 Ca 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1wm9 h ALA 40 Cb 0.49 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1wm9 h ALA 40 CO -0.19 0.66 0.30 -0.07 0.00 0.00 0.00 179.25 179.95 1wm9 h LEU 41 N 1.28 0.79 -0.53 0.00 3.38 -0.81 -1.93 115.31 117.48 1wm9 h LEU 41 Ca 0.33 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 58.05 1wm9 h LEU 41 Cb -0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1wm9 h LEU 41 CO -0.06 0.69 -0.14 0.00 0.09 0.00 0.00 178.44 179.02 1wm9 h ALA 42 N 1.13 0.73 -0.93 1.53 0.00 -0.59 -0.83 119.26 120.30 1wm9 h ALA 42 Ca 0.21 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1wm9 h ALA 42 Cb 0.11 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1wm9 h ALA 42 CO -0.03 0.67 0.61 0.00 0.00 0.00 0.00 179.25 180.51 1wm9 h ALA 43 N 0.91 1.18 0.00 0.00 0.00 -0.81 -1.59 119.26 118.95 1wm9 h ALA 43 Ca 0.13 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 1wm9 h ALA 43 Cb 0.72 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1wm9 h ALA 43 CO 0.05 0.56 -0.82 1.49 0.00 0.00 0.00 179.25 180.54 1wm9 h GLU 44 N 1.25 0.01 -0.70 0.00 4.81 -1.18 -3.12 114.58 115.65 1wm9 h GLU 44 Ca 0.34 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1wm9 h GLU 44 Cb -0.13 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 1wm9 h GLU 44 CO -0.08 0.82 0.44 2.35 -0.73 0.00 0.00 179.01 181.81 1wm9 h TRP 45 N 0.01 0.90 -0.55 0.92 2.91 -0.40 -1.46 115.95 118.28 1wm9 h TRP 45 Ca -0.01 0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.05 1wm9 h TRP 45 Cb 1.45 -0.30 -0.04 0.00 -0.51 0.00 0.00 29.16 29.76 1wm9 h TRP 45 CO 0.00 0.59 0.31 -0.07 -1.03 0.00 0.00 178.44 178.25 1wm9 h LEU 46 N 0.95 0.48 -0.29 0.65 3.38 -1.26 -2.45 115.31 116.77 1wm9 h LEU 46 Ca 0.25 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 1wm9 h LEU 46 Cb -0.07 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1wm9 h LEU 46 CO -0.05 0.33 0.11 1.56 0.09 0.00 0.00 178.44 180.49 1wm9 h GLN 47 N 0.61 0.44 -0.43 1.13 4.20 -1.40 -0.53 115.11 119.12 1wm9 h GLN 47 Ca 0.23 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 1wm9 h GLN 47 Cb 0.08 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1wm9 h GLN 47 CO -0.13 0.46 0.13 0.28 -0.67 0.00 0.00 178.83 178.90 1wm9 h VAL 48 N 0.32 1.18 0.00 -0.54 2.07 -1.07 -1.95 116.25 116.27 1wm9 h VAL 48 Ca 0.10 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1wm9 h VAL 48 Cb 0.19 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1wm9 h VAL 48 CO -0.01 0.23 0.00 2.30 0.02 0.00 0.00 177.57 180.12 1wm9 n ILE 49 N -4.33 0.21 0.00 4.57 -5.35 -0.94 -4.89 119.36 108.63 1wm9 n ILE 49 Ca 0.03 0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.56 1wm9 n ILE 49 Cb 0.18 -0.62 0.00 0.00 -1.74 0.00 0.00 39.64 37.47 1wm9 n ILE 49 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wm9 n GLY 50 N 1.05 1.02 3.98 3.28 0.00 -0.73 -5.11 105.19 108.68 1wm9 n GLY 50 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 1wm9 n GLY 50 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wm9 s GLU 51 N -0.72 1.81 -0.33 1.61 0.41 -0.22 -5.00 118.70 116.27 1wm9 s GLU 51 Ca 0.00 -0.97 0.01 0.00 -0.41 0.00 0.00 54.97 53.60 1wm9 s GLU 51 Cb 0.00 -2.33 0.08 0.00 -1.78 0.00 0.00 34.13 30.11 1wm9 s GLU 51 CO 0.00 -1.35 0.04 0.34 -0.49 0.00 0.00 175.26 173.80 1wm9 s ASP 52 N -4.68 4.83 0.45 -0.19 3.68 -1.26 -4.26 116.67 115.24 1wm9 s ASP 52 Ca 0.65 -1.80 0.30 0.00 2.13 0.00 0.00 52.55 53.83 1wm9 s ASP 52 Cb -0.06 -1.67 1.62 0.00 -1.45 0.00 0.00 42.92 41.35 1wm9 s ASP 52 CO 0.44 -0.35 1.91 -0.65 0.13 0.00 0.00 175.17 176.64 1wm9 h PRO 53 N 7.81 0.00 0.00 4.34 0.11 -1.91 -0.88 132.00 141.47 1wm9 h PRO 53 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1wm9 h PRO 53 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1wm9 h PRO 53 CO 0.55 0.00 -0.10 0.41 -0.21 0.00 0.00 178.00 178.65 1wm9 n GLY 54 N -1.22 -1.56 3.70 -0.55 0.00 -1.26 -3.88 105.19 100.42 1wm9 n GLY 54 Ca -0.02 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 1wm9 n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wm9 n ARG 55 N -1.90 2.00 -0.28 1.61 1.74 -0.34 -4.79 116.66 114.70 1wm9 n ARG 55 Ca 0.06 0.71 0.12 0.00 -0.77 0.00 0.00 57.85 57.96 1wm9 n ARG 55 Cb 0.39 -2.38 0.37 0.00 -1.02 0.00 0.00 32.46 29.81 1wm9 n ARG 55 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1wm9 h GLU 56 N 2.20 0.69 0.00 5.56 4.57 -1.90 -0.30 114.58 125.41 1wm9 h GLU 56 Ca -0.48 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 1wm9 h GLU 56 Cb 1.29 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 1wm9 h GLU 56 CO 0.61 0.46 0.00 0.78 -1.18 0.00 0.00 179.01 179.67 1wm9 h GLY 57 N 0.71 0.00 -0.84 1.92 0.00 -1.95 -3.27 103.07 99.64 1wm9 h GLY 57 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.79 1wm9 h GLY 57 CO -0.22 0.00 -0.28 1.04 0.00 0.00 0.00 176.54 177.08 1wm9 n LEU 58 N -2.89 1.76 -0.23 3.11 4.77 -0.24 -4.73 117.00 118.56 1wm9 n LEU 58 Ca 0.03 -0.80 -0.10 0.00 -0.03 0.00 0.00 56.01 55.10 1wm9 n LEU 58 Cb 0.44 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.46 1wm9 n LEU 58 CO 0.31 0.33 0.53 -0.07 -1.33 0.00 0.00 177.39 177.16 1wm9 h LEU 59 N 2.06 -1.75 -1.96 2.23 3.38 -1.30 -1.60 115.31 116.37 1wm9 h LEU 59 Ca 0.00 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1wm9 h LEU 59 Cb 0.58 0.76 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1wm9 h LEU 59 CO 0.00 -0.34 0.00 1.17 0.09 0.00 0.00 178.44 179.36 1wm9 n LYS 60 N -5.37 2.25 0.12 1.13 4.81 -1.26 -4.60 118.16 115.23 1wm9 n LYS 60 Ca 0.00 -1.92 -0.13 0.00 -0.87 0.00 0.00 58.31 55.39 1wm9 n LYS 60 Cb 0.33 -1.44 -0.06 0.00 0.02 0.00 0.00 35.03 33.89 1wm9 n LYS 60 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1wm9 h THR 61 N 3.27 0.62 -0.86 3.15 2.02 -1.57 -1.57 112.91 117.97 1wm9 h THR 61 Ca 0.00 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.35 1wm9 h THR 61 Cb 0.74 0.62 -0.06 0.00 -1.74 0.00 0.00 68.15 67.71 1wm9 h THR 61 CO 0.00 0.00 0.56 -0.65 0.37 0.00 0.00 175.52 175.80 1wm9 h PRO 62 N -0.35 0.48 0.09 6.66 0.11 -1.81 0.49 132.00 137.66 1wm9 h PRO 62 Ca 0.01 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1wm9 h PRO 62 Cb 0.35 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.35 1wm9 h PRO 62 CO -0.06 0.32 -0.04 1.49 -0.21 0.00 0.00 178.00 179.49 1wm9 h GLU 63 N 0.49 -0.12 -0.53 1.05 4.81 -1.77 -2.59 114.58 115.93 1wm9 h GLU 63 Ca 0.44 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.72 1wm9 h GLU 63 Cb 0.95 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.32 1wm9 h GLU 63 CO -0.17 0.31 0.35 0.00 -0.73 0.00 0.00 179.01 178.77 1wm9 h ARG 64 N -0.59 0.54 -0.36 1.92 3.08 -0.47 -2.25 114.38 116.25 1wm9 h ARG 64 Ca -0.01 -0.03 -0.17 0.00 0.07 0.00 0.00 59.98 59.84 1wm9 h ARG 64 Cb 0.48 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 1wm9 h ARG 64 CO 0.02 0.36 -0.42 0.28 -1.07 0.00 0.00 179.97 179.14 1wm9 h VAL 65 N 0.56 1.27 -0.42 2.04 2.07 -0.92 -1.74 116.25 119.11 1wm9 h VAL 65 Ca 0.22 -1.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 1wm9 h VAL 65 Cb 0.17 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1wm9 h VAL 65 CO -0.06 0.53 0.20 0.00 0.02 0.00 0.00 177.57 178.27 1wm9 h ALA 66 N 0.76 0.54 -0.37 1.67 0.00 -1.00 -0.43 119.26 120.44 1wm9 h ALA 66 Ca 0.05 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1wm9 h ALA 66 Cb 1.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1wm9 h ALA 66 CO 0.10 0.10 -0.28 0.87 0.00 0.00 0.00 179.25 180.04 1wm9 h LYS 67 N 0.54 0.78 -0.08 0.00 1.57 -1.49 -1.96 116.57 115.93 1wm9 h LYS 67 Ca 0.14 -0.35 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1wm9 h LYS 67 Cb 0.12 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 1wm9 h LYS 67 CO -0.02 0.97 0.05 0.00 -0.57 0.00 0.00 179.45 179.88 1wm9 h ALA 68 N 1.01 0.10 0.00 3.86 0.00 -0.97 -1.22 119.26 122.04 1wm9 h ALA 68 Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1wm9 h ALA 68 Cb 0.81 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1wm9 h ALA 68 CO 0.07 -0.39 -0.05 -1.49 0.00 0.00 0.00 179.25 177.39 1wm9 h TRP 69 N 0.07 0.00 0.01 0.00 4.06 -1.00 0.15 115.95 119.24 1wm9 h TRP 69 Ca 0.03 0.00 -0.26 0.00 2.06 0.00 0.00 58.89 60.72 1wm9 h TRP 69 Cb 0.03 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.21 1wm9 h TRP 69 CO -0.06 0.05 -1.04 0.00 -3.56 0.00 0.00 178.44 173.83 1wm9 h ALA 70 N 1.95 0.17 -0.25 1.49 0.00 -0.94 -2.86 119.26 118.83 1wm9 h ALA 70 Ca -0.00 -0.71 -0.07 0.00 0.00 0.00 0.00 54.91 54.13 1wm9 h ALA 70 Cb 0.49 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1wm9 h ALA 70 CO 0.01 0.72 -0.13 0.35 0.00 0.00 0.00 179.25 180.20 1wm9 h PHE 71 N 0.35 0.60 0.00 0.00 3.57 -0.34 -2.51 116.94 118.61 1wm9 h PHE 71 Ca -0.12 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1wm9 h PHE 71 Cb 1.69 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 40.29 1wm9 h PHE 71 CO 0.09 0.79 0.00 1.28 -2.23 0.00 0.00 178.31 178.24 1wm9 n LEU 72 N -4.48 0.30 -0.10 0.59 4.77 0.45 -2.36 117.00 116.17 1wm9 n LEU 72 Ca -0.04 0.59 0.01 0.00 -0.03 0.00 0.00 56.01 56.54 1wm9 n LEU 72 Cb 0.35 -0.58 0.02 0.00 -2.33 0.00 0.00 43.42 40.89 1wm9 n LEU 72 CO 0.41 -0.51 0.42 0.35 -1.33 0.00 0.00 177.39 176.73 1wm9 n THR 73 N -1.85 0.55 0.25 -5.08 -2.24 -1.08 -2.90 114.28 101.93 1wm9 n THR 73 Ca 0.02 -0.78 0.18 0.00 -2.27 0.00 0.00 64.05 61.20 1wm9 n THR 73 Cb 0.14 0.74 0.88 0.00 -2.10 0.00 0.00 70.33 69.99 1wm9 n THR 73 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1wm9 h ARG 74 N 0.37 0.00 0.00 -0.78 0.11 -1.06 -2.01 114.38 111.01 1wm9 h ARG 74 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 1wm9 h ARG 74 Cb 0.34 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.41 1wm9 h ARG 74 CO 0.00 0.00 -0.06 0.78 0.10 0.00 0.00 179.97 180.79 1wm9 h GLY 75 N 0.00 0.00 1.59 0.08 0.00 -1.60 -2.17 103.07 100.98 1wm9 h GLY 75 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.29 1wm9 h GLY 75 CO -0.00 0.00 -0.28 -0.97 0.00 0.00 0.00 176.54 175.29 1wm9 h TYR 76 N 0.00 0.53 -0.32 5.60 0.05 -1.52 -3.15 116.97 118.17 1wm9 h TYR 76 Ca -0.00 -0.12 0.00 0.00 0.05 0.00 0.00 58.73 58.66 1wm9 h TYR 76 Cb 0.30 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 37.91 1wm9 h TYR 76 CO 0.00 0.71 0.00 0.54 -1.05 0.00 0.00 178.16 178.36 1wm9 n ARG 77 N -4.11 2.06 -3.52 4.88 1.74 -0.82 -4.95 116.66 111.95 1wm9 n ARG 77 Ca -0.01 -1.61 -0.32 0.00 -0.77 0.00 0.00 57.85 55.14 1wm9 n ARG 77 Cb 0.42 -1.42 -0.05 0.00 -1.02 0.00 0.00 32.46 30.39 1wm9 n ARG 77 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1wm9 s GLN 78 N -1.58 3.73 -0.19 5.56 -0.21 -1.17 -5.08 119.66 120.71 1wm9 s GLN 78 Ca 0.34 0.13 -0.05 0.00 0.02 0.00 0.00 55.36 55.80 1wm9 s GLN 78 Cb 0.19 -2.72 -0.03 0.00 1.00 0.00 0.00 33.01 31.45 1wm9 s GLN 78 CO 0.26 0.37 -0.01 1.03 -2.12 0.00 0.00 175.29 174.83 1wm9 s ARG 79 N -2.76 3.64 0.32 2.91 1.81 -1.26 -5.00 118.95 118.60 1wm9 s ARG 79 Ca 0.45 -0.51 0.06 0.00 -1.72 0.00 0.00 55.73 54.01 1wm9 s ARG 79 Cb -0.12 -3.05 0.73 0.00 -0.45 0.00 0.00 34.95 32.07 1wm9 s ARG 79 CO 0.23 0.07 1.82 1.25 -0.68 0.00 0.00 175.30 177.99 1wm9 h LEU 80 N 7.29 0.77 -0.84 2.53 5.85 -1.98 -0.32 115.31 128.60 1wm9 h LEU 80 Ca -0.35 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.39 1wm9 h LEU 80 Cb 1.18 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 1wm9 h LEU 80 CO 0.62 0.34 0.33 -0.33 -0.34 0.00 0.00 178.44 179.06 1wm9 h GLU 81 N 0.79 1.18 0.03 1.25 3.07 -2.00 -1.63 114.58 117.27 1wm9 h GLU 81 Ca 0.52 -0.20 -0.22 0.00 -0.50 0.00 0.00 59.36 58.96 1wm9 h GLU 81 Cb 0.77 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.47 1wm9 h GLU 81 CO -0.29 0.94 -1.00 0.93 -1.40 0.00 0.00 179.01 178.19 1wm9 h GLU 82 N 1.16 0.16 -0.59 2.33 5.08 -1.63 -2.75 114.58 118.34 1wm9 h GLU 82 Ca 0.27 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1wm9 h GLU 82 Cb 0.19 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1wm9 h GLU 82 CO -0.03 1.03 0.17 0.28 -1.00 0.00 0.00 179.01 179.46 1wm9 h VAL 83 N 0.07 1.24 -0.08 3.13 2.07 -0.84 -2.72 116.25 119.13 1wm9 h VAL 83 Ca -0.06 -0.85 -0.13 0.00 0.82 0.00 0.00 66.70 66.49 1wm9 h VAL 83 Cb 1.68 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1wm9 h VAL 83 CO 0.15 0.32 -0.51 0.58 0.02 0.00 0.00 177.57 178.12 1wm9 h VAL 84 N 0.84 1.35 -6.56 2.57 2.07 -1.35 -3.48 116.25 111.70 1wm9 h VAL 84 Ca 0.19 -1.77 -0.52 0.00 0.82 0.00 0.00 66.70 65.42 1wm9 h VAL 84 Cb 0.31 1.87 -0.14 0.00 -1.52 0.00 0.00 31.29 31.81 1wm9 h VAL 84 CO -0.00 0.52 -0.80 0.61 0.02 0.00 0.00 177.57 177.92 1wm9 n GLY 85 N 0.05 -0.47 2.40 2.17 0.00 -1.03 -1.62 105.19 106.70 1wm9 n GLY 85 Ca -0.02 0.16 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 1wm9 n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wm9 n GLY 86 N -1.52 1.31 2.14 -0.02 0.00 -1.26 -4.84 105.19 101.00 1wm9 n GLY 86 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 1wm9 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wm9 n ALA 87 N 0.92 6.62 -2.90 4.61 0.00 -0.64 -4.83 120.51 124.29 1wm9 n ALA 87 Ca -0.14 -2.37 -0.34 0.00 0.00 0.00 0.00 53.44 50.59 1wm9 n ALA 87 Cb 0.53 -2.51 -0.12 0.00 0.00 0.00 0.00 19.45 17.35 1wm9 n ALA 87 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1wm9 s VAL 88 N 0.72 3.67 0.15 0.00 1.01 -1.26 -1.36 120.40 123.34 1wm9 s VAL 88 Ca 0.66 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 62.26 1wm9 s VAL 88 Cb 0.30 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1wm9 s VAL 88 CO -0.04 0.52 -0.14 -0.36 0.00 0.00 0.00 175.10 175.08 1wm9 s PHE 89 N 0.09 1.51 0.37 5.22 0.08 -0.13 -4.97 117.98 120.15 1wm9 s PHE 89 Ca -0.02 -0.59 -0.28 0.00 0.12 0.00 0.00 56.93 56.16 1wm9 s PHE 89 Cb -0.14 -0.75 -0.10 0.00 -0.57 0.00 0.00 43.02 41.45 1wm9 s PHE 89 CO 0.03 0.22 1.40 -1.25 -0.10 0.00 0.00 175.22 175.51 1wm9 s PRO 90 N -3.16 4.17 0.45 0.24 0.04 -1.26 -0.41 135.00 135.07 1wm9 s PRO 90 Ca 0.15 2.39 -0.25 0.00 0.04 0.00 0.00 61.00 63.33 1wm9 s PRO 90 Cb -0.02 -2.97 -0.08 0.00 0.04 0.00 0.00 34.50 31.47 1wm9 s PRO 90 CO 0.04 -0.41 1.41 0.00 0.04 0.00 0.00 177.00 178.08 1wm9 s ALA 91 N -1.15 3.21 -0.12 8.56 0.00 -0.34 -4.64 121.76 127.29 1wm9 s ALA 91 Ca 0.52 1.43 0.16 0.00 0.00 0.00 0.00 51.96 54.07 1wm9 s ALA 91 Cb -0.43 -3.58 -0.22 0.00 0.00 0.00 0.00 23.12 18.89 1wm9 s ALA 91 CO 0.58 -1.16 0.48 0.39 0.00 0.00 0.00 175.76 176.04 1wm9 n GLU 92 N -0.22 0.65 -1.45 0.00 -0.58 -1.26 -4.94 120.64 112.83 1wm9 n GLU 92 Ca 0.05 0.14 -0.00 0.00 -0.42 0.00 0.00 57.16 56.93 1wm9 n GLU 92 Cb 0.42 -1.68 -0.00 0.00 -0.57 0.00 0.00 31.44 29.61 1wm9 n GLU 92 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wm9 n GLY 93 N 1.56 2.80 0.36 0.62 0.00 -1.26 -5.05 105.19 104.22 1wm9 n GLY 93 Ca -0.20 -1.28 0.04 0.00 0.00 0.00 0.00 46.02 44.58 1wm9 n GLY 93 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wm9 n SER 94 N -1.81 1.90 -4.85 1.61 3.41 -1.26 -4.79 113.62 107.82 1wm9 n SER 94 Ca -0.00 -1.48 -0.32 0.00 -0.26 0.00 0.00 58.87 56.81 1wm9 n SER 94 Cb 0.01 -0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 63.89 1wm9 n SER 94 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1wm9 s GLU 95 N -0.75 3.91 0.34 4.33 2.56 -1.26 -4.70 118.70 123.12 1wm9 s GLU 95 Ca 0.11 0.79 -0.29 0.00 0.00 0.00 0.00 54.97 55.58 1wm9 s GLU 95 Cb 0.07 -2.24 -0.11 0.00 2.00 0.00 0.00 34.13 33.85 1wm9 s GLU 95 CO 0.11 -0.16 1.53 -0.12 -0.56 0.00 0.00 175.26 176.05 1wm9 n MET 96 N -1.37 2.66 -4.51 4.30 0.00 -1.26 -4.61 117.12 112.33 1wm9 n MET 96 Ca 0.05 0.94 -0.33 0.00 0.00 0.00 0.00 57.70 58.35 1wm9 n MET 96 Cb 0.54 -2.69 -0.14 0.00 0.00 0.00 0.00 33.22 30.94 1wm9 n MET 96 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1wm9 s VAL 97 N -0.62 3.36 -0.16 1.12 1.01 0.40 -4.95 120.40 120.56 1wm9 s VAL 97 Ca 0.58 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 62.03 1wm9 s VAL 97 Cb -0.49 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.45 1wm9 s VAL 97 CO 0.57 0.50 -0.19 -0.69 0.00 0.00 0.00 175.10 175.29 1wm9 s VAL 98 N 0.55 1.94 -0.38 2.92 1.01 -1.26 -0.89 120.40 124.30 1wm9 s VAL 98 Ca -0.06 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 1wm9 s VAL 98 Cb -0.15 -1.76 0.09 0.00 0.00 0.00 0.00 36.38 34.56 1wm9 s VAL 98 CO 0.03 0.52 0.15 -0.69 0.00 0.00 0.00 175.10 175.11 1wm9 s VAL 99 N 1.20 3.33 0.30 2.92 1.01 0.22 -4.99 120.40 124.39 1wm9 s VAL 99 Ca 0.02 -1.75 0.08 0.00 0.00 0.00 0.00 61.98 60.33 1wm9 s VAL 99 Cb -0.14 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1wm9 s VAL 99 CO -0.09 -0.48 0.16 -1.59 0.00 0.00 0.00 175.10 173.09 1wm9 s LYS 100 N 1.22 2.59 -1.04 2.72 -2.85 -1.26 -0.21 119.74 120.90 1wm9 s LYS 100 Ca 0.03 -1.32 0.00 0.00 -1.00 0.00 0.00 55.97 53.68 1wm9 s LYS 100 Cb -0.22 -2.35 0.00 0.00 -2.06 0.00 0.00 37.83 33.21 1wm9 s LYS 100 CO -0.02 0.25 0.00 0.41 0.10 0.00 0.00 175.35 176.08 1wm9 n GLY 101 N -1.15 -0.05 3.56 0.59 0.00 -1.22 -4.95 105.19 101.97 1wm9 n GLY 101 Ca -0.05 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 1wm9 n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wm9 s VAL 102 N -2.59 3.80 0.54 1.61 1.01 -0.75 -4.79 120.40 119.23 1wm9 s VAL 102 Ca 0.00 0.56 -0.22 0.00 0.00 0.00 0.00 61.98 62.32 1wm9 s VAL 102 Cb 0.00 -4.85 -0.05 0.00 0.00 0.00 0.00 36.38 31.48 1wm9 s VAL 102 CO 0.00 -1.69 1.31 -1.83 0.00 0.00 0.00 175.10 172.88 1wm9 s GLU 103 N 5.52 3.22 0.05 2.72 1.03 -1.26 0.38 118.70 130.36 1wm9 s GLU 103 Ca 0.38 2.12 -0.03 0.00 0.03 0.00 0.00 54.97 57.46 1wm9 s GLU 103 Cb -0.08 -2.25 -0.02 0.00 -0.80 0.00 0.00 34.13 30.98 1wm9 s GLU 103 CO 0.18 -1.09 0.03 -0.59 -1.33 0.00 0.00 175.26 172.47 1wm9 s PHE 104 N -1.37 0.35 -0.02 4.83 -0.12 0.34 -4.84 117.98 117.15 1wm9 s PHE 104 Ca 0.71 -0.79 0.01 0.00 -0.05 0.00 0.00 56.93 56.81 1wm9 s PHE 104 Cb -0.37 -0.26 0.01 0.00 -0.63 0.00 0.00 43.02 41.77 1wm9 s PHE 104 CO 0.44 -0.37 -0.03 0.71 -0.05 0.00 0.00 175.22 175.91 1wm9 s TYR 105 N -3.26 0.50 0.35 3.49 2.02 -1.26 -2.02 117.35 117.17 1wm9 s TYR 105 Ca 0.01 -0.09 0.02 0.00 -0.37 0.00 0.00 57.07 56.63 1wm9 s TYR 105 Cb 0.03 -0.44 -0.01 0.00 -0.40 0.00 0.00 41.96 41.14 1wm9 s TYR 105 CO -0.08 -0.10 0.42 0.45 -1.57 0.00 0.00 175.55 174.67 1wm9 s SER 106 N 0.56 1.29 -0.05 2.29 0.15 -0.27 -4.27 113.70 113.40 1wm9 s SER 106 Ca -0.06 -1.63 0.04 0.00 0.70 0.00 0.00 55.95 55.00 1wm9 s SER 106 Cb -0.10 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1wm9 s SER 106 CO -0.00 -1.25 -0.16 -0.04 1.20 0.00 0.00 173.24 172.99 1wm9 s MET 107 N -3.08 1.78 0.10 5.44 -1.94 -1.24 -1.58 119.30 118.78 1wm9 s MET 107 Ca 0.34 -0.56 -0.30 0.00 -1.71 0.00 0.00 55.69 53.46 1wm9 s MET 107 Cb 0.00 -1.52 -0.06 0.00 2.01 0.00 0.00 34.83 35.27 1wm9 s MET 107 CO 0.24 0.19 1.04 0.00 -0.01 0.00 0.00 175.02 176.48 1wm9 h GLU 109 N 5.88 0.00 0.13 0.00 4.11 -1.18 0.32 114.58 123.84 1wm9 h GLU 109 Ca -0.43 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 58.71 1wm9 h GLU 109 Cb 1.21 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.49 1wm9 h GLU 109 CO 0.74 0.00 -1.25 0.45 0.07 0.00 0.00 179.01 179.02 1wm9 h HIS 110 N 0.00 0.89 0.00 2.06 3.86 -1.92 -3.40 115.15 116.65 1wm9 h HIS 110 Ca 0.00 -0.58 0.00 0.00 -1.16 0.00 0.00 60.37 58.63 1wm9 h HIS 110 Cb 0.42 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1wm9 h HIS 110 CO 0.00 1.43 0.00 0.72 0.86 0.00 0.00 177.93 180.94 1wm9 n HIS 111 N -3.74 0.00 -2.85 2.45 8.25 -1.19 -5.02 115.22 113.12 1wm9 n HIS 111 Ca -0.13 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.13 1wm9 n HIS 111 Cb 0.99 0.00 0.03 0.00 1.12 0.00 0.00 29.99 32.13 1wm9 n HIS 111 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1wm9 n LEU 112 N -0.46 -2.48 -4.55 2.41 4.77 0.11 -4.99 117.00 111.81 1wm9 n LEU 112 Ca 0.00 -0.22 -0.30 0.00 -0.03 0.00 0.00 56.01 55.46 1wm9 n LEU 112 Cb 0.02 -2.77 -0.10 0.00 -2.33 0.00 0.00 43.42 38.24 1wm9 n LEU 112 CO 0.00 0.14 -0.44 -0.76 -1.33 0.00 0.00 177.39 175.01 1wm9 s LEU 113 N -6.04 2.95 0.49 2.23 1.43 -1.25 -4.83 118.68 113.66 1wm9 s LEU 113 Ca 0.23 -0.40 -0.21 0.00 -1.03 0.00 0.00 54.13 52.72 1wm9 s LEU 113 Cb -0.10 -1.75 -0.07 0.00 0.03 0.00 0.00 46.19 44.30 1wm9 s LEU 113 CO 0.29 0.19 1.14 -2.84 0.23 0.00 0.00 176.35 175.36 1wm9 s PRO 114 N -2.05 3.61 0.01 1.29 0.02 -1.26 -0.80 135.00 135.81 1wm9 s PRO 114 Ca 0.20 1.68 0.00 0.00 0.02 0.00 0.00 61.00 62.90 1wm9 s PRO 114 Cb -0.11 -2.23 -0.01 0.00 0.02 0.00 0.00 34.50 32.17 1wm9 s PRO 114 CO 0.12 -0.65 -0.02 -0.59 -0.33 0.00 0.00 177.00 175.52 1wm9 s PHE 115 N -1.66 0.20 0.30 6.54 -0.71 -0.62 -1.77 117.98 120.26 1wm9 s PHE 115 Ca 0.67 -0.22 -0.18 0.00 -1.04 0.00 0.00 56.93 56.17 1wm9 s PHE 115 Cb -0.26 -0.13 0.02 0.00 -1.21 0.00 0.00 43.02 41.44 1wm9 s PHE 115 CO 0.30 -0.07 0.69 -0.59 -1.34 0.00 0.00 175.22 174.21 1wm9 s PHE 116 N -0.58 0.02 0.00 3.49 -0.71 -0.70 -1.11 117.98 118.39 1wm9 s PHE 116 Ca -0.06 -0.50 0.00 0.00 -1.04 0.00 0.00 56.93 55.33 1wm9 s PHE 116 Cb -0.04 0.62 0.00 0.00 -1.21 0.00 0.00 43.02 42.39 1wm9 s PHE 116 CO -0.00 -1.27 0.00 0.41 -1.34 0.00 0.00 175.22 173.02 1wm9 n GLY 117 N -0.47 -0.55 3.25 1.99 0.00 -0.86 -0.65 105.19 107.91 1wm9 n GLY 117 Ca -0.04 -0.19 -0.17 0.00 0.00 0.00 0.00 46.02 45.61 1wm9 n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wm9 s LYS 118 N -0.71 1.05 -0.11 1.61 1.02 -0.48 -0.50 119.74 121.61 1wm9 s LYS 118 Ca 0.00 -1.30 0.03 0.00 0.02 0.00 0.00 55.97 54.72 1wm9 s LYS 118 Cb 0.00 -0.87 0.01 0.00 -0.52 0.00 0.00 37.83 36.44 1wm9 s LYS 118 CO 0.00 0.16 -0.20 0.08 -0.92 0.00 0.00 175.35 174.47 1wm9 s VAL 119 N -2.39 1.81 -0.19 3.17 1.01 0.16 -1.54 120.40 122.42 1wm9 s VAL 119 Ca 0.11 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 1wm9 s VAL 119 Cb -0.03 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1wm9 s VAL 119 CO 0.03 0.50 -0.04 -1.00 0.00 0.00 0.00 175.10 174.59 1wm9 s HIS 120 N 0.71 2.97 -0.08 5.22 0.09 0.12 -1.81 115.29 122.51 1wm9 s HIS 120 Ca -0.11 -0.65 0.04 0.00 -0.00 0.00 0.00 55.06 54.34 1wm9 s HIS 120 Cb -0.16 -2.04 -0.01 0.00 -0.00 0.00 0.00 32.58 30.37 1wm9 s HIS 120 CO 0.02 -0.33 -0.22 0.42 -0.00 0.00 0.00 174.74 174.62 1wm9 s ILE 121 N 1.02 2.25 -0.00 0.60 1.01 0.71 -0.14 121.20 126.65 1wm9 s ILE 121 Ca 0.01 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.70 1wm9 s ILE 121 Cb -0.15 -1.86 -0.00 0.00 0.01 0.00 0.00 42.46 40.47 1wm9 s ILE 121 CO 0.01 0.56 -0.04 -0.83 0.00 0.00 0.00 174.94 174.63 1wm9 s GLY 122 N 0.09 0.22 0.03 6.18 0.00 0.77 0.69 107.32 115.30 1wm9 s GLY 122 Ca -0.10 -0.18 -0.24 0.00 0.00 0.00 0.00 44.72 44.20 1wm9 s GLY 122 CO 0.06 -0.13 0.55 -2.52 0.00 0.00 0.00 173.10 171.06 1wm9 s TYR 123 N -0.07 -0.48 -0.25 1.90 -0.85 -0.07 0.65 117.35 118.18 1wm9 s TYR 123 Ca 0.01 0.61 -0.03 0.00 -0.52 0.00 0.00 57.07 57.14 1wm9 s TYR 123 Cb -0.02 0.36 0.01 0.00 0.38 0.00 0.00 41.96 42.70 1wm9 s TYR 123 CO -0.00 -0.64 -0.02 0.42 -1.52 0.00 0.00 175.55 173.79 1wm9 s ILE 124 N -2.19 3.25 1.14 -3.49 1.01 -1.01 -0.45 121.20 119.46 1wm9 s ILE 124 Ca -0.07 -0.82 -0.14 0.00 0.00 0.00 0.00 60.65 59.63 1wm9 s ILE 124 Cb -0.01 -2.61 0.27 0.00 0.01 0.00 0.00 42.46 40.11 1wm9 s ILE 124 CO 0.00 0.23 1.04 -2.84 0.00 0.00 0.00 174.94 173.37 1wm9 s PRO 125 N 1.40 -0.75 -0.42 2.79 0.02 -1.26 -0.55 135.00 136.23 1wm9 s PRO 125 Ca 0.02 0.57 0.08 0.00 0.02 0.00 0.00 61.00 61.70 1wm9 s PRO 125 Cb -0.16 -1.59 0.29 0.00 0.02 0.00 0.00 34.50 33.06 1wm9 s PRO 125 CO -0.03 -3.54 0.80 -3.47 -0.33 0.00 0.00 177.00 170.43 1wm9 n ASP 126 N -4.75 -0.88 0.00 2.53 -0.08 -1.26 -4.07 116.55 108.04 1wm9 n ASP 126 Ca 0.05 -3.15 0.00 0.00 -1.51 0.00 0.00 54.79 50.18 1wm9 n ASP 126 Cb 0.56 0.49 0.00 0.00 2.34 0.00 0.00 41.12 44.51 1wm9 n ASP 126 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wm9 n GLY 127 N 0.90 2.25 2.93 0.27 0.00 -1.26 -4.83 105.19 105.45 1wm9 n GLY 127 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 1wm9 n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wm9 s LYS 128 N -0.21 0.87 0.14 1.61 1.02 -1.26 -1.20 119.74 120.70 1wm9 s LYS 128 Ca 0.00 -0.17 0.09 0.00 0.02 0.00 0.00 55.97 55.91 1wm9 s LYS 128 Cb 0.00 -0.84 -0.04 0.00 -0.52 0.00 0.00 37.83 36.43 1wm9 s LYS 128 CO 0.00 -0.02 -0.20 0.96 -0.92 0.00 0.00 175.35 175.17 1wm9 s ILE 129 N 0.67 1.80 0.08 2.17 -4.36 0.46 -4.68 121.20 117.33 1wm9 s ILE 129 Ca -0.09 -1.74 0.03 0.00 -0.26 0.00 0.00 60.65 58.59 1wm9 s ILE 129 Cb -0.13 -1.72 -0.04 0.00 1.25 0.00 0.00 42.46 41.82 1wm9 s ILE 129 CO 0.01 -0.18 0.08 -0.22 0.24 0.00 0.00 174.94 174.87 1wm9 s LEU 130 N -2.29 3.79 0.16 0.37 2.96 -1.26 -0.95 118.68 121.45 1wm9 s LEU 130 Ca 0.11 -0.02 -0.31 0.00 -0.22 0.00 0.00 54.13 53.69 1wm9 s LEU 130 Cb -0.08 -2.47 -0.11 0.00 0.50 0.00 0.00 46.19 44.03 1wm9 s LEU 130 CO 0.06 0.17 1.74 -0.83 -1.32 0.00 0.00 176.35 176.16 1wm9 s GLY 131 N -2.40 1.33 0.29 7.98 0.00 -0.47 -4.87 107.32 109.19 1wm9 s GLY 131 Ca 0.29 1.48 0.03 0.00 0.00 0.00 0.00 44.72 46.52 1wm9 s GLY 131 CO 0.22 2.95 1.68 1.41 0.00 0.00 0.00 173.10 179.36 1wm9 h LEU 132 N 7.65 0.20 -2.00 0.66 3.38 -1.97 -0.22 115.31 123.01 1wm9 h LEU 132 Ca -0.44 0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1wm9 h LEU 132 Cb 1.21 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 1wm9 h LEU 132 CO 0.95 -0.06 -0.01 0.77 0.09 0.00 0.00 178.44 180.18 1wm9 h SER 133 N 0.32 0.00 0.89 -0.43 4.64 -2.00 -2.46 113.55 114.51 1wm9 h SER 133 Ca 0.55 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.81 1wm9 h SER 133 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 1wm9 h SER 133 CO -0.57 0.01 -0.29 0.11 -0.87 0.00 0.00 176.83 175.22 1wm9 h LYS 134 N 0.00 0.00 -0.38 4.77 1.79 -1.39 -2.60 116.57 118.76 1wm9 h LYS 134 Ca -0.00 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.40 1wm9 h LYS 134 Cb 0.33 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.96 1wm9 h LYS 134 CO 0.00 0.29 -0.07 0.74 -1.08 0.00 0.00 179.45 179.33 1wm9 h PHE 135 N 0.00 0.68 -0.28 -1.35 0.04 -1.51 0.13 116.94 114.65 1wm9 h PHE 135 Ca -0.00 -0.10 -0.18 0.00 2.80 0.00 0.00 57.97 60.49 1wm9 h PHE 135 Cb 0.81 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.78 1wm9 h PHE 135 CO 0.00 0.69 -0.53 0.00 -0.60 0.00 0.00 178.31 177.87 1wm9 h ALA 136 N 1.34 0.44 -0.63 2.45 0.00 -1.61 -1.43 119.26 119.82 1wm9 h ALA 136 Ca 0.11 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1wm9 h ALA 136 Cb 0.47 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1wm9 h ALA 136 CO 0.02 0.65 0.25 0.00 0.00 0.00 0.00 179.25 180.17 1wm9 h ARG 137 N 0.64 0.92 -0.23 0.00 3.08 -1.06 -0.85 114.38 116.87 1wm9 h ARG 137 Ca 0.01 -0.15 -0.09 0.00 0.07 0.00 0.00 59.98 59.82 1wm9 h ARG 137 Cb 1.14 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.03 1wm9 h ARG 137 CO 0.12 0.75 -0.22 0.82 -1.07 0.00 0.00 179.97 180.37 1wm9 h ILE 138 N 0.90 1.32 -0.25 2.04 2.04 -0.59 -2.09 117.51 120.88 1wm9 h ILE 138 Ca 0.21 -1.38 0.05 0.00 1.00 0.00 0.00 64.86 64.74 1wm9 h ILE 138 Cb 0.18 1.68 -0.05 0.00 -0.74 0.00 0.00 36.82 37.89 1wm9 h ILE 138 CO -0.02 0.43 -0.06 0.58 0.00 0.00 0.00 178.15 179.08 1wm9 h VAL 139 N 0.26 0.76 -0.52 1.67 2.07 -0.87 -2.22 116.25 117.40 1wm9 h VAL 139 Ca 0.04 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 1wm9 h VAL 139 Cb 0.77 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1wm9 h VAL 139 CO 0.06 0.00 0.25 0.44 0.02 0.00 0.00 177.57 178.33 1wm9 h ASP 140 N 0.01 0.65 -0.79 0.57 3.32 -1.13 -0.68 116.42 118.37 1wm9 h ASP 140 Ca 0.12 -0.06 0.07 0.00 0.02 0.00 0.00 57.03 57.18 1wm9 h ASP 140 Cb 0.18 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.50 1wm9 h ASP 140 CO -0.25 0.55 0.47 -0.03 -1.72 0.00 0.00 179.24 178.27 1wm9 h MET 141 N 0.72 0.83 0.00 3.56 4.05 -0.75 -1.34 114.93 122.01 1wm9 h MET 141 Ca 0.18 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.52 1wm9 h MET 141 Cb 0.08 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 30.69 1wm9 h MET 141 CO -0.02 0.55 -1.26 1.19 0.23 0.00 0.00 176.91 177.59 1wm9 n PHE 142 N -4.69 0.79 0.06 1.39 3.72 -1.04 -4.19 117.46 113.50 1wm9 n PHE 142 Ca 0.11 0.24 -0.17 0.00 -0.05 0.00 0.00 57.45 57.58 1wm9 n PHE 142 Cb 0.19 -0.90 -0.08 0.00 -0.94 0.00 0.00 39.48 37.74 1wm9 n PHE 142 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wm9 h ALA 143 N 1.90 0.22 0.00 4.37 0.00 -0.91 -3.35 119.26 121.49 1wm9 h ALA 143 Ca -0.03 -0.73 -0.66 0.00 0.00 0.00 0.00 54.91 53.49 1wm9 h ALA 143 Cb 1.11 0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.95 1wm9 h ALA 143 CO 0.01 0.77 3.78 0.54 0.00 0.00 0.00 179.25 184.35 1wm9 n ARG 144 N -3.77 3.60 -3.83 0.00 1.74 -0.53 -4.32 116.66 109.55 1wm9 n ARG 144 Ca -0.09 -2.18 -0.12 0.00 -0.77 0.00 0.00 57.85 54.69 1wm9 n ARG 144 Cb 0.88 -2.80 -0.00 0.00 -1.02 0.00 0.00 32.46 29.52 1wm9 n ARG 144 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1wm9 n ARG 145 N 3.71 0.90 -3.11 5.56 1.74 -1.14 -2.14 116.66 122.17 1wm9 n ARG 145 Ca 0.76 -2.48 -0.39 0.00 -0.77 0.00 0.00 57.85 54.97 1wm9 n ARG 145 Cb 0.23 2.70 -0.05 0.00 -1.02 0.00 0.00 32.46 34.31 1wm9 n ARG 145 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1wm9 s LEU 146 N 0.00 4.44 0.00 0.55 1.43 -1.26 -3.61 118.68 120.22 1wm9 s LEU 146 Ca 0.22 1.29 -0.00 0.00 -1.03 0.00 0.00 54.13 54.61 1wm9 s LEU 146 Cb -0.03 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.14 1wm9 s LEU 146 CO 0.16 0.08 0.45 0.00 0.23 0.00 0.00 176.35 177.27 1wm9 n GLN 147 N 2.69 0.64 -3.89 1.70 1.13 0.45 -4.80 117.38 115.30 1wm9 n GLN 147 Ca -0.05 -2.79 -0.13 0.00 -1.94 0.00 0.00 57.00 52.09 1wm9 n GLN 147 Cb 0.51 2.62 -0.15 0.00 0.11 0.00 0.00 30.24 33.33 1wm9 n GLN 147 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1wm9 s VAL 148 N -2.87 0.05 0.47 5.09 -7.23 -1.26 -0.62 120.40 114.03 1wm9 s VAL 148 Ca 0.30 0.02 0.16 0.00 -1.81 0.00 0.00 61.98 60.64 1wm9 s VAL 148 Cb -0.01 -0.08 0.32 0.00 0.56 0.00 0.00 36.38 37.18 1wm9 s VAL 148 CO 0.21 0.04 2.03 -0.61 -0.31 0.00 0.00 175.10 176.46 1wm9 h GLN 149 N 6.41 0.26 -0.67 4.82 4.15 -2.00 -2.42 115.11 125.65 1wm9 h GLN 149 Ca -0.30 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.08 1wm9 h GLN 149 Cb 1.19 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.79 1wm9 h GLN 149 CO 0.50 0.17 0.32 0.93 -1.93 0.00 0.00 178.83 178.82 1wm9 h GLU 150 N 0.27 0.96 0.02 1.69 3.07 -1.97 -3.00 114.58 115.61 1wm9 h GLU 150 Ca 0.20 -0.13 -0.27 0.00 -0.50 0.00 0.00 59.36 58.66 1wm9 h GLU 150 Cb 0.44 -0.18 0.02 0.00 -0.84 0.00 0.00 28.75 28.20 1wm9 h GLU 150 CO -0.04 0.75 -1.05 -0.09 -1.40 0.00 0.00 179.01 177.17 1wm9 h ARG 151 N 0.95 0.68 -0.77 2.33 2.43 -1.87 -3.28 114.38 114.86 1wm9 h ARG 151 Ca 0.23 -0.76 0.12 0.00 -0.81 0.00 0.00 59.98 58.76 1wm9 h ARG 151 Cb 0.11 0.22 -0.08 0.00 -0.42 0.00 0.00 29.97 29.80 1wm9 h ARG 151 CO -0.03 1.33 0.38 1.25 -1.51 0.00 0.00 179.97 181.39 1wm9 h LEU 152 N 0.35 0.48 -0.47 3.80 5.85 -1.36 -0.77 115.31 123.19 1wm9 h LEU 152 Ca -0.14 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.57 1wm9 h LEU 152 Cb 1.71 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.73 1wm9 h LEU 152 CO 0.21 0.24 -0.04 0.00 -0.34 0.00 0.00 178.44 178.51 1wm9 h ALA 153 N 1.49 0.64 -0.37 1.25 0.00 -1.64 -2.18 119.26 118.45 1wm9 h ALA 153 Ca 0.40 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1wm9 h ALA 153 Cb 0.49 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1wm9 h ALA 153 CO -0.31 0.48 0.12 0.28 0.00 0.00 0.00 179.25 179.82 1wm9 h VAL 154 N 0.71 1.21 -0.20 0.00 2.07 -1.43 -1.96 116.25 116.64 1wm9 h VAL 154 Ca 0.13 -0.67 -0.09 0.00 0.82 0.00 0.00 66.70 66.89 1wm9 h VAL 154 Cb 0.57 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1wm9 h VAL 154 CO 0.03 0.23 -0.26 1.56 0.02 0.00 0.00 177.57 179.16 1wm9 h GLN 155 N 0.45 0.38 -0.25 1.57 4.20 -1.13 0.34 115.11 120.67 1wm9 h GLN 155 Ca 0.12 -0.14 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 1wm9 h GLN 155 Cb 0.24 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1wm9 h GLN 155 CO -0.01 0.61 -0.10 0.82 -0.67 0.00 0.00 178.83 179.49 1wm9 h ILE 156 N 0.33 1.30 -0.42 2.54 2.04 -1.24 -0.64 117.51 121.42 1wm9 h ILE 156 Ca 0.05 -1.17 -0.02 0.00 1.00 0.00 0.00 64.86 64.72 1wm9 h ILE 156 Cb 0.64 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 1wm9 h ILE 156 CO 0.05 0.36 0.18 0.00 0.00 0.00 0.00 178.15 178.74 1wm9 h ALA 157 N 0.73 0.54 -0.44 1.87 0.00 -1.12 -1.55 119.26 119.29 1wm9 h ALA 157 Ca 0.06 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1wm9 h ALA 157 Cb 0.60 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1wm9 h ALA 157 CO 0.03 0.13 0.08 0.93 0.00 0.00 0.00 179.25 180.42 1wm9 h GLU 158 N 0.53 0.67 -0.50 0.00 5.08 -0.89 -0.28 114.58 119.20 1wm9 h GLU 158 Ca 0.14 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 1wm9 h GLU 158 Cb 0.17 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1wm9 h GLU 158 CO -0.01 0.64 -0.03 0.00 -1.00 0.00 0.00 179.01 178.60 1wm9 h ALA 159 N 1.44 0.67 -0.52 3.43 0.00 -0.81 -1.44 119.26 122.04 1wm9 h ALA 159 Ca 0.14 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1wm9 h ALA 159 Cb 0.29 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1wm9 h ALA 159 CO 0.00 0.51 -0.16 0.82 0.00 0.00 0.00 179.25 180.42 1wm9 h ILE 160 N 0.76 1.27 -0.13 0.00 2.04 -0.78 -1.55 117.51 119.12 1wm9 h ILE 160 Ca 0.14 -1.33 -0.06 0.00 1.00 0.00 0.00 64.86 64.61 1wm9 h ILE 160 Cb 0.56 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1wm9 h ILE 160 CO 0.03 0.46 -0.19 -0.61 0.00 0.00 0.00 178.15 177.85 1wm9 h GLN 161 N 0.89 0.22 -0.01 2.37 5.75 -0.92 -1.87 115.11 121.53 1wm9 h GLN 161 Ca 0.13 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.55 1wm9 h GLN 161 Cb 0.74 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.27 1wm9 h GLN 161 CO 0.06 0.40 -0.07 1.49 -2.65 0.00 0.00 178.83 178.06 1wm9 h GLU 162 N 0.20 0.07 0.12 1.69 4.81 -0.94 -3.36 114.58 117.17 1wm9 h GLU 162 Ca 0.04 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1wm9 h GLU 162 Cb 0.45 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1wm9 h GLU 162 CO 0.03 0.74 -0.06 0.28 -0.73 0.00 0.00 179.01 179.27 1wm9 h VAL 163 N -0.59 0.88 -1.46 0.32 2.07 -1.20 -3.43 116.25 112.84 1wm9 h VAL 163 Ca -0.01 0.00 -0.49 0.00 0.82 0.00 0.00 66.70 67.02 1wm9 h VAL 163 Cb 0.76 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1wm9 h VAL 163 CO 0.01 0.00 -0.37 -0.76 0.02 0.00 0.00 177.57 176.48 1wm9 s LEU 164 N -10.17 3.36 -0.60 2.57 1.43 -0.71 -5.04 118.68 109.52 1wm9 s LEU 164 Ca -0.14 -0.76 0.05 0.00 -1.03 0.00 0.00 54.13 52.25 1wm9 s LEU 164 Cb 0.06 -2.02 0.31 0.00 0.03 0.00 0.00 46.19 44.56 1wm9 s LEU 164 CO 0.65 -0.69 0.88 -0.62 0.23 0.00 0.00 176.35 176.80 1wm9 n GLU 165 N -1.58 3.00 -1.13 1.70 -0.58 -1.26 -4.50 120.64 116.29 1wm9 n GLU 165 Ca 0.04 -4.80 -0.31 0.00 -0.42 0.00 0.00 57.16 51.66 1wm9 n GLU 165 Cb 0.62 -2.25 0.11 0.00 -0.57 0.00 0.00 31.44 29.35 1wm9 n GLU 165 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 1wm9 s PRO 166 N -3.13 1.93 0.37 3.49 0.02 -1.26 -4.20 135.00 132.21 1wm9 s PRO 166 Ca 0.46 1.23 0.19 0.00 0.02 0.00 0.00 61.00 62.90 1wm9 s PRO 166 Cb 0.23 -1.85 0.58 0.00 0.02 0.00 0.00 34.50 33.48 1wm9 s PRO 166 CO -0.09 -1.89 1.68 1.96 -0.33 0.00 0.00 177.00 178.32 1wm9 h GLN 167 N -1.32 0.00 -1.92 5.54 4.20 -0.97 -3.47 115.11 117.18 1wm9 h GLN 167 Ca -0.44 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.41 1wm9 h GLN 167 Cb 1.24 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 28.84 1wm9 h GLN 167 CO 0.49 0.36 0.59 0.20 -0.67 0.00 0.00 178.83 179.80 1wm9 s GLY 168 N -4.36 -0.37 0.00 3.46 0.00 -1.21 -0.64 107.32 104.19 1wm9 s GLY 168 Ca 0.01 1.40 -0.00 0.00 0.00 0.00 0.00 44.72 46.13 1wm9 s GLY 168 CO 0.69 0.54 -0.00 0.14 0.00 0.00 0.00 173.10 174.47 1wm9 s VAL 169 N -2.49 0.02 -0.03 1.40 1.01 -0.03 -2.40 120.40 117.87 1wm9 s VAL 169 Ca 0.05 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.89 1wm9 s VAL 169 Cb -0.01 -0.05 0.01 0.00 0.00 0.00 0.00 36.38 36.33 1wm9 s VAL 169 CO -0.06 -0.08 -0.07 -0.83 0.00 0.00 0.00 175.10 174.06 1wm9 s GLY 170 N -0.24 0.47 -0.04 4.51 0.00 0.21 -0.90 107.32 111.32 1wm9 s GLY 170 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.48 1wm9 s GLY 170 CO -0.00 0.09 -0.01 0.14 0.00 0.00 0.00 173.10 173.32 1wm9 s VAL 171 N 0.41 0.33 -0.13 1.40 1.01 -0.55 -0.17 120.40 122.71 1wm9 s VAL 171 Ca -0.06 0.03 0.02 0.00 0.00 0.00 0.00 61.98 61.97 1wm9 s VAL 171 Cb -0.10 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.87 1wm9 s VAL 171 CO 0.00 0.20 -0.17 -0.69 0.00 0.00 0.00 175.10 174.44 1wm9 s VAL 172 N 1.24 1.69 -0.11 2.92 1.01 0.80 -1.54 120.40 126.41 1wm9 s VAL 172 Ca -0.06 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.17 1wm9 s VAL 172 Cb -0.13 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 1wm9 s VAL 172 CO -0.02 0.48 -0.10 -0.69 0.00 0.00 0.00 175.10 174.77 1wm9 s VAL 173 N 1.04 3.40 -0.10 2.92 1.01 0.84 0.10 120.40 129.61 1wm9 s VAL 173 Ca -0.04 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1wm9 s VAL 173 Cb -0.15 -2.42 0.03 0.00 0.00 0.00 0.00 36.38 33.84 1wm9 s VAL 173 CO -0.04 0.54 -0.03 -0.70 0.00 0.00 0.00 175.10 174.88 1wm9 s GLU 174 N -0.06 1.03 0.11 2.72 2.12 -0.59 -1.23 118.70 122.79 1wm9 s GLU 174 Ca -0.01 -0.12 -0.07 0.00 0.36 0.00 0.00 54.97 55.13 1wm9 s GLU 174 Cb -0.14 -1.38 -0.01 0.00 0.26 0.00 0.00 34.13 32.87 1wm9 s GLU 174 CO 0.03 -0.33 0.18 0.20 -0.54 0.00 0.00 175.26 174.81 1wm9 s GLY 175 N 1.84 0.33 -0.01 -1.50 0.00 -0.62 -1.39 107.32 105.97 1wm9 s GLY 175 Ca 0.04 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.92 1wm9 s GLY 175 CO -0.07 -0.92 0.06 -1.34 0.00 0.00 0.00 173.10 170.83 1wm9 s VAL 176 N -3.92 4.56 -0.24 1.40 -7.23 0.18 -1.12 120.40 114.04 1wm9 s VAL 176 Ca 0.11 -0.46 -0.01 0.00 -1.81 0.00 0.00 61.98 59.81 1wm9 s VAL 176 Cb 0.05 -3.07 0.03 0.00 0.56 0.00 0.00 36.38 33.95 1wm9 s VAL 176 CO -0.06 0.36 -0.08 -1.00 -0.31 0.00 0.00 175.10 174.00 1wm9 s HIS 177 N -1.16 3.03 0.48 2.82 3.76 -1.26 -1.71 115.29 121.25 1wm9 s HIS 177 Ca 0.22 -1.59 0.34 0.00 -0.15 0.00 0.00 55.06 53.88 1wm9 s HIS 177 Cb -0.12 -2.03 1.80 0.00 1.11 0.00 0.00 32.58 33.34 1wm9 s HIS 177 CO 0.13 -0.74 2.18 -0.07 -0.85 0.00 0.00 174.74 175.39 1wm9 h LEU 178 N 7.99 0.00 -1.92 0.89 3.38 -1.68 -1.06 115.31 122.91 1wm9 h LEU 178 Ca -0.34 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 1wm9 h LEU 178 Cb 1.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1wm9 h LEU 178 CO 0.58 0.05 -0.08 0.00 0.09 0.00 0.00 178.44 179.08 1wm9 n MET 180 N -3.37 0.66 -0.04 0.00 2.81 -0.45 -4.20 117.12 112.52 1wm9 n MET 180 Ca -0.01 0.18 -0.20 0.00 -1.81 0.00 0.00 57.70 55.86 1wm9 n MET 180 Cb 0.24 -1.68 -0.13 0.00 -0.71 0.00 0.00 33.22 30.94 1wm9 n MET 180 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1wm9 h MET 181 N 0.00 0.12 -0.66 0.03 2.07 -0.87 -0.47 114.93 115.16 1wm9 h MET 181 Ca -0.40 -0.21 0.00 0.00 -2.07 0.00 0.00 59.70 57.02 1wm9 h MET 181 Cb 2.10 0.08 0.00 0.00 -1.87 0.00 0.00 31.60 31.90 1wm9 h MET 181 CO 0.06 1.10 0.00 0.00 1.07 0.00 0.00 176.91 179.14 1wm9 n MET 182 N -4.19 2.56 -3.82 1.72 3.85 0.23 -4.45 117.12 113.02 1wm9 n MET 182 Ca -0.25 -2.43 -0.06 0.00 -1.00 0.00 0.00 57.70 53.96 1wm9 n MET 182 Cb 0.76 -1.53 -0.02 0.00 -1.05 0.00 0.00 33.22 31.39 1wm9 n MET 182 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 1wm9 s ARG 183 N -1.12 1.62 5.68 3.17 3.52 -1.25 -5.00 118.95 125.57 1wm9 s ARG 183 Ca 0.45 -0.89 0.00 0.00 -0.13 0.00 0.00 55.73 55.16 1wm9 s ARG 183 Cb 0.24 0.56 0.00 0.00 -1.56 0.00 0.00 34.95 34.18 1wm9 s ARG 183 CO 0.31 -0.74 0.00 0.41 -0.81 0.00 0.00 175.30 174.47 1wm9 n GLY 184 N -0.46 1.30 0.18 8.12 0.00 -1.26 -1.88 105.19 111.19 1wm9 n GLY 184 Ca -0.05 0.42 0.04 0.00 0.00 0.00 0.00 46.02 46.44 1wm9 n GLY 184 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1wm9 h VAL 185 N 0.00 1.04 -5.85 1.61 -1.51 -1.85 -3.48 116.25 106.22 1wm9 h VAL 185 Ca 0.00 -1.50 -0.44 0.00 -1.23 0.00 0.00 66.70 63.53 1wm9 h VAL 185 Cb 0.00 1.87 0.02 0.00 -2.13 0.00 0.00 31.29 31.05 1wm9 h VAL 185 CO 0.00 0.39 -0.70 -0.62 -1.23 0.00 0.00 177.57 175.42 1wm9 n GLU 186 N -3.71 -5.97 -2.69 5.19 1.02 -0.28 -4.97 120.64 109.23 1wm9 n GLU 186 Ca -0.01 0.70 -0.36 0.00 -0.02 0.00 0.00 57.16 57.47 1wm9 n GLU 186 Cb 0.49 -5.62 -0.06 0.00 -0.02 0.00 0.00 31.44 26.23 1wm9 n GLU 186 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1wm9 s LYS 187 N -6.36 4.31 -0.06 3.49 -0.14 -0.62 -4.88 119.74 115.48 1wm9 s LYS 187 Ca 0.57 1.35 0.06 0.00 -1.36 0.00 0.00 55.97 56.60 1wm9 s LYS 187 Cb -0.28 -2.53 -0.09 0.00 -1.68 0.00 0.00 37.83 33.25 1wm9 s LYS 187 CO 0.71 0.02 0.04 1.04 -0.76 0.00 0.00 175.35 176.40 1wm9 n GLN 188 N -0.02 2.52 0.00 1.68 1.13 -1.26 -3.89 117.38 117.55 1wm9 n GLN 188 Ca 0.05 -0.01 0.13 0.00 -1.94 0.00 0.00 57.00 55.22 1wm9 n GLN 188 Cb 0.51 -1.18 0.31 0.00 0.11 0.00 0.00 30.24 29.99 1wm9 n GLN 188 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1wm9 n HIS 189 N -2.19 0.00 -2.53 1.08 8.25 -1.26 -4.97 115.22 113.60 1wm9 n HIS 189 Ca -0.10 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.98 1wm9 n HIS 189 Cb 0.66 -0.09 -0.04 0.00 1.12 0.00 0.00 29.99 31.64 1wm9 n HIS 189 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1wm9 s SER 190 N -2.47 6.94 -0.04 0.41 0.15 -1.26 -5.06 113.70 112.37 1wm9 s SER 190 Ca 0.24 2.11 -0.07 0.00 0.70 0.00 0.00 55.95 58.93 1wm9 s SER 190 Cb 0.19 -2.60 0.01 0.00 -1.71 0.00 0.00 66.02 61.91 1wm9 s SER 190 CO 0.52 -0.36 0.16 -0.13 1.20 0.00 0.00 173.24 174.62 1wm9 s ARG 191 N -2.13 0.31 -0.06 5.44 0.52 -1.26 -4.70 118.95 117.08 1wm9 s ARG 191 Ca 0.53 -0.02 0.05 0.00 -0.52 0.00 0.00 55.73 55.78 1wm9 s ARG 191 Cb -0.25 0.14 -0.02 0.00 0.52 0.00 0.00 34.95 35.34 1wm9 s ARG 191 CO 0.32 -0.06 -0.22 0.99 0.02 0.00 0.00 175.30 176.35 1wm9 s THR 192 N -0.50 2.38 -0.12 0.02 2.01 -0.27 -4.96 115.64 114.20 1wm9 s THR 192 Ca -0.06 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 60.99 1wm9 s THR 192 Cb -0.04 -1.89 -0.02 0.00 0.01 0.00 0.00 72.50 70.57 1wm9 s THR 192 CO 0.01 0.57 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.69 1wm9 s VAL 193 N -0.33 3.12 0.06 3.82 1.01 -1.26 -1.60 120.40 125.23 1wm9 s VAL 193 Ca 0.02 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1wm9 s VAL 193 Cb -0.12 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 1wm9 s VAL 193 CO 0.02 0.54 -0.06 0.42 0.00 0.00 0.00 175.10 176.02 1wm9 s THR 194 N 0.13 0.48 0.35 3.92 -4.23 -0.37 -5.01 115.64 110.92 1wm9 s THR 194 Ca -0.06 -1.56 -0.14 0.00 -1.18 0.00 0.00 61.69 58.75 1wm9 s THR 194 Cb -0.15 -1.19 0.04 0.00 1.34 0.00 0.00 72.50 72.53 1wm9 s THR 194 CO 0.05 -0.73 0.70 -0.94 -0.54 0.00 0.00 174.62 173.16 1wm9 s SER 195 N -2.44 0.14 -0.20 3.99 1.04 -1.26 -0.11 113.70 114.86 1wm9 s SER 195 Ca 0.02 -1.12 -0.14 0.00 0.48 0.00 0.00 55.95 55.19 1wm9 s SER 195 Cb 0.00 0.78 0.06 0.00 0.10 0.00 0.00 66.02 66.96 1wm9 s SER 195 CO -0.04 -1.53 0.50 0.00 0.98 0.00 0.00 173.24 173.15 1wm9 s ALA 196 N -2.79 -1.30 -0.07 5.32 0.00 -0.59 -4.73 121.76 117.60 1wm9 s ALA 196 Ca 0.18 1.68 0.03 0.00 0.00 0.00 0.00 51.96 53.85 1wm9 s ALA 196 Cb -0.04 -1.00 0.01 0.00 0.00 0.00 0.00 23.12 22.09 1wm9 s ALA 196 CO 0.12 -0.28 -0.17 -1.64 0.00 0.00 0.00 175.76 173.79 1wm9 s MET 197 N 1.03 2.19 0.08 0.00 -1.94 -1.26 -1.48 119.30 117.91 1wm9 s MET 197 Ca -0.06 -0.61 0.03 0.00 -1.71 0.00 0.00 55.69 53.34 1wm9 s MET 197 Cb -0.06 -1.75 -0.03 0.00 2.01 0.00 0.00 34.83 35.00 1wm9 s MET 197 CO -0.09 0.12 -0.10 -0.51 -0.01 0.00 0.00 175.02 174.43 1wm9 s LEU 198 N 0.44 2.36 0.00 -0.03 1.43 -0.08 -4.59 118.68 118.21 1wm9 s LEU 198 Ca -0.14 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.22 1wm9 s LEU 198 Cb -0.16 -0.29 0.00 0.00 0.03 0.00 0.00 46.19 45.77 1wm9 s LEU 198 CO 0.05 -0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.01 1wm9 n GLY 199 N 0.81 2.59 0.26 -3.19 0.00 -1.26 -0.85 105.19 103.55 1wm9 n GLY 199 Ca -0.18 -0.34 0.13 0.00 0.00 0.00 0.00 46.02 45.63 1wm9 n GLY 199 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1wm9 h VAL 200 N 0.00 0.48 0.00 1.61 -1.51 -1.21 -2.06 116.25 113.56 1wm9 h VAL 200 Ca 0.00 -0.65 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 1wm9 h VAL 200 Cb 0.00 1.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.61 1wm9 h VAL 200 CO 0.00 0.13 0.00 -0.26 -1.23 0.00 0.00 177.57 176.21 1wm9 h PHE 201 N 0.00 0.00 0.00 5.19 0.04 -1.80 0.44 116.94 120.81 1wm9 h PHE 201 Ca -0.00 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.41 1wm9 h PHE 201 Cb 0.44 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.52 1wm9 h PHE 201 CO 0.00 0.00 -2.35 -2.13 -0.60 0.00 0.00 178.31 173.23 1wm9 n ARG 202 N -2.81 0.78 -0.00 1.51 0.63 -0.83 -4.41 116.66 111.52 1wm9 n ARG 202 Ca 0.00 0.04 -0.21 0.00 -0.92 0.00 0.00 57.85 56.76 1wm9 n ARG 202 Cb 0.23 -1.49 -0.14 0.00 0.45 0.00 0.00 32.46 31.51 1wm9 n ARG 202 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1wm9 h GLU 203 N 0.00 0.21 -5.07 -0.14 5.08 -1.14 -3.44 114.58 110.08 1wm9 h GLU 203 Ca -0.53 -0.36 -0.68 0.00 -1.00 0.00 0.00 59.36 56.79 1wm9 h GLU 203 Cb 2.08 0.13 -0.17 0.00 0.50 0.00 0.00 28.75 31.29 1wm9 h GLU 203 CO -0.01 1.17 0.10 1.21 -1.00 0.00 0.00 179.01 180.49 1wm9 s ASN 204 N -6.96 6.24 0.22 1.42 3.84 0.15 -4.95 114.94 114.90 1wm9 s ASN 204 Ca -0.20 -0.83 -0.07 0.00 0.21 0.00 0.00 52.86 51.96 1wm9 s ASN 204 Cb 0.04 -2.31 0.31 0.00 -0.55 0.00 0.00 41.25 38.74 1wm9 s ASN 204 CO 0.75 -0.92 1.81 -0.61 -2.79 0.00 0.00 177.10 175.33 1wm9 h GLN 205 N 9.02 0.70 -0.67 0.43 5.75 -1.86 -2.16 115.11 126.33 1wm9 h GLN 205 Ca -0.27 -0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.12 1wm9 h GLN 205 Cb 1.09 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 29.46 1wm9 h GLN 205 CO 0.97 0.47 0.15 0.87 -2.65 0.00 0.00 178.83 178.64 1wm9 h LYS 206 N 0.72 1.07 -0.53 1.69 1.79 -1.94 -1.45 116.57 117.93 1wm9 h LYS 206 Ca 0.34 -0.25 -0.03 0.00 -2.18 0.00 0.00 60.65 58.53 1wm9 h LYS 206 Cb 0.27 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.75 1wm9 h LYS 206 CO -0.22 0.95 0.22 1.15 -1.08 0.00 0.00 179.45 180.48 1wm9 h THR 207 N 1.01 1.21 -0.29 -0.16 2.02 -1.75 -0.31 112.91 114.64 1wm9 h THR 207 Ca 0.21 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 1wm9 h THR 207 Cb 0.37 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1wm9 h THR 207 CO 0.00 0.25 0.11 -0.09 0.37 0.00 0.00 175.52 176.17 1wm9 h ARG 208 N 0.71 0.44 -0.93 6.66 2.43 -1.13 -1.67 114.38 120.90 1wm9 h ARG 208 Ca 0.18 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1wm9 h ARG 208 Cb 0.18 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 1wm9 h ARG 208 CO -0.02 0.46 0.55 0.93 -1.51 0.00 0.00 179.97 180.39 1wm9 h GLU 209 N 0.32 1.27 -0.70 0.20 5.08 -1.06 -0.14 114.58 119.54 1wm9 h GLU 209 Ca 0.10 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1wm9 h GLU 209 Cb 0.19 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1wm9 h GLU 209 CO -0.01 0.90 0.16 1.49 -1.00 0.00 0.00 179.01 180.55 1wm9 h GLU 210 N 1.29 1.13 0.19 2.33 4.81 -0.82 0.12 114.58 123.63 1wm9 h GLU 210 Ca 0.33 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1wm9 h GLU 210 Cb -0.04 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.20 1wm9 h GLU 210 CO -0.06 1.00 -0.09 0.35 -0.73 0.00 0.00 179.01 179.48 1wm9 h PHE 211 N 1.07 -0.24 -0.64 0.92 -0.00 -0.82 -2.47 116.94 114.76 1wm9 h PHE 211 Ca 0.22 -0.01 0.02 0.00 -0.00 0.00 0.00 57.97 58.21 1wm9 h PHE 211 Cb 0.38 0.08 -0.03 0.00 -0.00 0.00 0.00 35.95 36.38 1wm9 h PHE 211 CO 0.03 0.05 0.42 -0.07 -0.00 0.00 0.00 178.31 178.75 1wm9 h LEU 212 N -0.52 0.69 -0.97 0.59 3.38 -0.86 -1.90 115.31 115.72 1wm9 h LEU 212 Ca -0.03 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1wm9 h LEU 212 Cb 0.40 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1wm9 h LEU 212 CO 0.04 0.49 -0.19 0.28 0.09 0.00 0.00 178.44 179.15 1wm9 h SER 213 N 0.81 0.52 0.22 -0.43 0.02 -0.71 -2.31 113.55 111.67 1wm9 h SER 213 Ca 0.25 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1wm9 h SER 213 Cb -0.00 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 1wm9 h SER 213 CO -0.06 0.72 -0.08 0.45 -1.14 0.00 0.00 176.83 176.72 1wm9 h HIS 214 N 0.48 0.00 0.00 3.45 3.86 -0.86 -2.13 115.15 119.95 1wm9 h HIS 214 Ca 0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1wm9 h HIS 214 Cb 0.60 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1wm9 h HIS 214 CO 0.02 0.08 -0.21 1.28 0.86 0.00 0.00 177.93 179.96 1wm9 n LEU 215 N -3.80 0.77 -0.24 2.43 4.77 -0.87 -5.13 117.00 114.93 1wm9 n LEU 215 Ca -0.02 0.45 0.15 0.00 -0.03 0.00 0.00 56.01 56.56 1wm9 n LEU 215 Cb 0.18 -0.27 0.73 0.00 -2.33 0.00 0.00 43.42 41.73 1wm9 n LEU 215 CO 0.30 -0.14 0.99 0.54 -1.33 0.00 0.00 177.39 177.75