#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wvj s GLY 19 N 0.00 1.59 -0.22 -0.13 0.00 -1.24 -4.80 107.32 102.52 2wvj s GLY 19 Ca 0.00 -0.59 -0.28 0.00 0.00 0.00 0.00 44.72 43.86 2wvj s GLY 19 CO 0.00 0.02 1.05 1.62 0.00 0.00 0.00 173.10 175.79 2wvj s GLN 20 N -5.29 0.51 -0.13 2.90 0.74 -0.39 -4.93 119.66 113.06 2wvj s GLN 20 Ca 0.65 0.31 0.02 0.00 0.05 0.00 0.00 55.36 56.39 2wvj s GLN 20 Cb -0.14 0.24 0.01 0.00 1.10 0.00 0.00 33.01 34.22 2wvj s GLN 20 CO 0.54 -0.12 -0.20 0.42 -0.55 0.00 0.00 175.29 175.38 2wvj s ILE 21 N -0.52 1.90 -0.08 -2.34 1.01 -1.26 -0.10 121.20 119.82 2wvj s ILE 21 Ca 0.01 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.81 2wvj s ILE 21 Cb -0.02 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 2wvj s ILE 21 CO -0.03 0.52 -0.17 -1.10 0.00 0.00 0.00 174.94 174.17 2wvj s GLN 22 N 0.88 2.83 -0.12 2.79 -0.21 0.68 -1.73 119.66 124.78 2wvj s GLN 22 Ca -0.06 -0.75 0.03 0.00 0.02 0.00 0.00 55.36 54.60 2wvj s GLN 22 Cb -0.15 -2.41 0.01 0.00 1.00 0.00 0.00 33.01 31.45 2wvj s GLN 22 CO -0.02 0.42 -0.23 0.08 -2.12 0.00 0.00 175.29 173.42 2wvj s VAL 23 N -0.20 2.05 -0.51 1.09 1.01 0.02 -0.54 120.40 123.31 2wvj s VAL 23 Ca -0.00 -0.99 -0.06 0.00 0.00 0.00 0.00 61.98 60.93 2wvj s VAL 23 Cb -0.13 -1.79 0.13 0.00 0.00 0.00 0.00 36.38 34.59 2wvj s VAL 23 CO 0.03 0.55 0.35 -0.63 0.00 0.00 0.00 175.10 175.40 2wvj s ILE 24 N 0.60 3.86 0.62 2.22 1.01 0.14 -1.92 121.20 127.73 2wvj s ILE 24 Ca -0.12 -2.22 -0.02 0.00 0.00 0.00 0.00 60.65 58.29 2wvj s ILE 24 Cb -0.17 -3.55 0.06 0.00 0.01 0.00 0.00 42.46 38.81 2wvj s ILE 24 CO 0.03 -0.79 0.88 -0.76 0.00 0.00 0.00 174.94 174.30 2wvj s LEU 25 N 0.85 3.09 0.00 2.97 1.43 0.32 -1.92 118.68 125.42 2wvj s LEU 25 Ca 0.10 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 2wvj s LEU 25 Cb -0.23 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.18 2wvj s LEU 25 CO -0.03 -1.40 0.00 0.61 0.23 0.00 0.00 176.35 175.76 2wvj n GLY 26 N -2.60 2.41 3.05 -3.19 0.00 -1.22 -0.94 105.19 102.71 2wvj n GLY 26 Ca 0.09 -1.26 -0.24 0.00 0.00 0.00 0.00 46.02 44.60 2wvj n GLY 26 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wvj n PRO 27 N -1.27 -1.59 -1.51 1.61 -0.04 -1.26 -3.65 135.00 127.30 2wvj n PRO 27 Ca 0.00 -1.60 -0.34 0.00 -0.04 0.00 0.00 63.50 61.52 2wvj n PRO 27 Cb 0.00 -1.18 0.08 0.00 -0.04 0.00 0.00 33.50 32.36 2wvj n PRO 27 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2wvj s MET 28 N -5.26 2.29 -1.32 0.54 -1.94 -1.26 -3.69 119.30 108.66 2wvj s MET 28 Ca 0.60 1.67 0.00 0.00 -1.71 0.00 0.00 55.69 56.25 2wvj s MET 28 Cb -0.03 -1.86 0.00 0.00 2.01 0.00 0.00 34.83 34.95 2wvj s MET 28 CO 0.43 -1.70 0.00 1.19 -0.01 0.00 0.00 175.02 174.94 2wvj n PHE 29 N -2.65 -0.12 0.87 -0.03 3.01 -1.26 -4.66 117.46 112.62 2wvj n PHE 29 Ca 0.13 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.69 2wvj n PHE 29 Cb 0.51 -2.44 0.08 0.00 -0.01 0.00 0.00 39.48 37.61 2wvj n PHE 29 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2wvj n SER 30 N -0.16 2.67 -0.23 4.37 3.41 -1.24 -4.57 113.62 117.87 2wvj n SER 30 Ca -0.13 -1.84 -0.01 0.00 -0.26 0.00 0.00 58.87 56.63 2wvj n SER 30 Cb 0.46 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 2wvj n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wvj n GLY 31 N 1.18 0.43 0.20 5.00 0.00 -1.26 -4.71 105.19 106.03 2wvj n GLY 31 Ca 0.12 -0.80 -0.04 0.00 0.00 0.00 0.00 46.02 45.30 2wvj n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wvj h LYS 32 N -0.03 0.38 -0.80 1.61 1.57 -1.93 -0.93 116.57 116.44 2wvj h LYS 32 Ca -0.03 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2wvj h LYS 32 Cb 1.02 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.21 2wvj h LYS 32 CO 0.03 0.25 0.48 0.77 -0.57 0.00 0.00 179.45 180.41 2wvj h SER 33 N 0.39 0.97 -0.26 0.86 0.02 -1.95 0.51 113.55 114.09 2wvj h SER 33 Ca 0.23 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 2wvj h SER 33 Cb 0.20 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 2wvj h SER 33 CO -0.21 0.75 -0.03 0.74 -1.14 0.00 0.00 176.83 176.94 2wvj h THR 34 N 1.11 1.27 -0.78 -2.27 2.02 -1.84 -1.00 112.91 111.42 2wvj h THR 34 Ca 0.29 -1.01 -0.02 0.00 0.77 0.00 0.00 66.41 66.45 2wvj h THR 34 Cb -0.04 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 2wvj h THR 34 CO -0.05 0.32 0.42 -0.08 0.37 0.00 0.00 175.52 176.50 2wvj h GLU 35 N 0.25 1.09 -0.19 6.66 4.57 -0.97 0.67 114.58 126.67 2wvj h GLU 35 Ca 0.07 -0.13 0.05 0.00 -1.18 0.00 0.00 59.36 58.17 2wvj h GLU 35 Cb 0.48 -0.21 -0.05 0.00 -0.16 0.00 0.00 28.75 28.81 2wvj h GLU 35 CO 0.02 0.81 -0.14 1.25 -1.18 0.00 0.00 179.01 179.77 2wvj h LEU 36 N 1.09 -0.45 -0.67 1.64 5.85 -0.75 -1.34 115.31 120.68 2wvj h LEU 36 Ca 0.27 0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.98 2wvj h LEU 36 Cb 0.04 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2wvj h LEU 36 CO -0.04 -0.18 -0.16 0.24 -0.34 0.00 0.00 178.44 177.95 2wvj h MET 37 N -0.14 0.86 -0.36 1.25 2.86 -0.88 -0.66 114.93 117.86 2wvj h MET 37 Ca 0.11 -0.33 0.06 0.00 -2.06 0.00 0.00 59.70 57.49 2wvj h MET 37 Cb 0.31 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.86 2wvj h MET 37 CO -0.27 0.96 0.00 -0.09 1.06 0.00 0.00 176.91 178.57 2wvj h ARG 38 N 0.76 0.10 -0.43 1.72 2.43 -0.66 0.45 114.38 118.74 2wvj h ARG 38 Ca 0.11 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.14 2wvj h ARG 38 Cb 0.69 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 2wvj h ARG 38 CO 0.05 0.07 -0.27 0.00 -1.51 0.00 0.00 179.97 178.31 2wvj h ARG 39 N 0.10 0.92 -0.25 0.20 3.08 -0.85 -2.71 114.38 114.88 2wvj h ARG 39 Ca 0.17 -0.42 -0.02 0.00 0.07 0.00 0.00 59.98 59.78 2wvj h ARG 39 Cb 0.24 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2wvj h ARG 39 CO -0.29 1.07 0.07 0.28 -1.07 0.00 0.00 179.97 180.03 2wvj h VAL 40 N 0.79 1.21 -0.00 2.04 2.07 -0.95 -3.16 116.25 118.24 2wvj h VAL 40 Ca 0.09 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 2wvj h VAL 40 Cb 0.84 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2wvj h VAL 40 CO 0.07 0.22 -0.15 0.03 0.02 0.00 0.00 177.57 177.76 2wvj h ARG 41 N 0.23 0.00 -0.86 1.57 3.08 -0.84 -1.33 114.38 116.22 2wvj h ARG 41 Ca 0.08 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.17 2wvj h ARG 41 Cb 0.27 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.26 2wvj h ARG 41 CO -0.00 0.15 0.55 0.00 -1.07 0.00 0.00 179.97 179.60 2wvj h ARG 42 N 0.00 1.03 -0.09 0.04 3.08 -1.44 -0.66 114.38 116.34 2wvj h ARG 42 Ca -0.00 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 59.85 2wvj h ARG 42 Cb 0.26 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 30.09 2wvj h ARG 42 CO 0.02 0.68 -0.48 0.74 -1.07 0.00 0.00 179.97 179.86 2wvj h PHE 43 N 1.06 0.65 -0.49 3.04 -1.00 -1.46 -3.27 116.94 115.46 2wvj h PHE 43 Ca 0.35 -0.29 0.03 0.00 2.81 0.00 0.00 57.97 60.87 2wvj h PHE 43 Cb 0.04 -0.10 -0.04 0.00 3.61 0.00 0.00 35.95 39.46 2wvj h PHE 43 CO -0.02 1.07 0.27 0.37 -1.61 0.00 0.00 178.31 178.38 2wvj h GLN 44 N 0.05 0.52 0.00 1.51 4.15 -0.97 -0.92 115.11 119.44 2wvj h GLN 44 Ca -0.04 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 2wvj h GLN 44 Cb 1.13 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.70 2wvj h GLN 44 CO 0.10 0.34 -0.05 0.97 -1.93 0.00 0.00 178.83 178.26 2wvj h ILE 45 N 0.53 0.23 -0.44 2.39 -0.00 -1.26 -1.28 117.51 117.70 2wvj h ILE 45 Ca 0.21 -0.39 0.00 0.00 -0.00 0.00 0.00 64.86 64.68 2wvj h ILE 45 Cb 0.08 1.31 0.00 0.00 -0.00 0.00 0.00 36.82 38.21 2wvj h ILE 45 CO -0.13 0.05 0.00 0.00 -0.00 0.00 0.00 178.15 178.08 2wvj n ALA 46 N -2.16 3.33 -0.75 0.18 0.00 -0.40 -4.93 120.51 115.78 2wvj n ALA 46 Ca -0.01 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.11 2wvj n ALA 46 Cb 0.22 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.59 2wvj n ALA 46 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wvj n GLN 47 N 0.55 0.00 -2.22 0.00 1.13 -0.48 -5.04 117.38 111.32 2wvj n GLN 47 Ca 0.20 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.85 2wvj n GLN 47 Cb 0.86 -2.05 -0.03 0.00 0.11 0.00 0.00 30.24 29.14 2wvj n GLN 47 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 2wvj s TYR 48 N -2.82 3.24 -0.01 1.08 2.02 -0.90 -5.00 117.35 114.96 2wvj s TYR 48 Ca 0.00 1.32 -0.30 0.00 -0.37 0.00 0.00 57.07 57.72 2wvj s TYR 48 Cb 0.00 -3.59 -0.04 0.00 -0.40 0.00 0.00 41.96 37.93 2wvj s TYR 48 CO 0.00 -1.72 1.19 0.15 -1.57 0.00 0.00 175.55 173.60 2wvj s LYS 49 N -0.70 4.39 0.15 -0.62 1.02 -1.26 -4.29 119.74 118.44 2wvj s LYS 49 Ca 0.53 1.70 0.08 0.00 0.02 0.00 0.00 55.97 58.30 2wvj s LYS 49 Cb -0.37 -3.48 -0.04 0.00 -0.52 0.00 0.00 37.83 33.42 2wvj s LYS 49 CO 0.42 -0.36 -0.18 0.00 -0.92 0.00 0.00 175.35 174.31 2wvj s LEU 51 N -2.55 0.93 -0.15 0.00 2.96 -0.63 -4.98 118.68 114.26 2wvj s LEU 51 Ca 0.13 0.10 -0.05 0.00 -0.22 0.00 0.00 54.13 54.10 2wvj s LEU 51 Cb -0.06 0.02 -0.03 0.00 0.50 0.00 0.00 46.19 46.62 2wvj s LEU 51 CO 0.06 -0.14 0.01 -0.69 -1.32 0.00 0.00 176.35 174.26 2wvj s VAL 52 N 1.17 4.32 -0.15 1.68 1.01 -1.26 -0.51 120.40 126.65 2wvj s VAL 52 Ca -0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 2wvj s VAL 52 Cb -0.13 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 2wvj s VAL 52 CO -0.04 0.50 -0.13 -0.63 0.00 0.00 0.00 175.10 174.81 2wvj s ILE 53 N 0.15 2.96 0.12 2.22 1.01 0.98 -0.96 121.20 127.67 2wvj s ILE 53 Ca 0.01 -0.68 0.10 0.00 0.00 0.00 0.00 60.65 60.08 2wvj s ILE 53 Cb -0.13 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 2wvj s ILE 53 CO 0.02 0.51 -0.22 -0.75 0.00 0.00 0.00 174.94 174.50 2wvj s LYS 54 N 0.67 1.65 -0.16 2.79 2.20 -0.66 -1.04 119.74 125.18 2wvj s LYS 54 Ca -0.06 -1.24 -0.29 0.00 -0.36 0.00 0.00 55.97 54.02 2wvj s LYS 54 Cb -0.15 -2.03 -0.03 0.00 -1.51 0.00 0.00 37.83 34.11 2wvj s LYS 54 CO 0.02 0.47 1.46 -0.47 -0.36 0.00 0.00 175.35 176.47 2wvj s TYR 55 N -1.10 2.42 0.22 4.03 5.04 -1.25 -1.18 117.35 125.53 2wvj s TYR 55 Ca 0.16 0.66 -0.08 0.00 -2.44 0.00 0.00 57.07 55.37 2wvj s TYR 55 Cb -0.10 -3.77 0.28 0.00 0.35 0.00 0.00 41.96 38.71 2wvj s TYR 55 CO 0.08 -2.58 1.81 0.00 -1.34 0.00 0.00 175.55 173.51 2wvj h ALA 56 N 9.26 0.95 0.00 3.97 0.00 -0.79 -2.83 119.26 129.82 2wvj h ALA 56 Ca -0.32 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2wvj h ALA 56 Cb 1.13 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2wvj h ALA 56 CO 0.98 0.05 0.00 1.63 0.00 0.00 0.00 179.25 181.91 2wvj n LYS 57 N -4.79 0.04 -2.57 0.00 5.02 -1.26 -4.47 118.16 110.13 2wvj n LYS 57 Ca 0.10 0.19 -0.42 0.00 -2.02 0.00 0.00 58.31 56.16 2wvj n LYS 57 Cb 0.20 -1.56 -0.03 0.00 -0.02 0.00 0.00 35.03 33.63 2wvj n LYS 57 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2wvj s ASP 58 N -3.22 6.32 -0.16 4.39 -1.08 -1.07 -4.87 116.67 116.97 2wvj s ASP 58 Ca 0.09 -0.16 0.14 0.00 -0.52 0.00 0.00 52.55 52.11 2wvj s ASP 58 Cb 0.13 -2.55 0.70 0.00 -1.46 0.00 0.00 42.92 39.73 2wvj s ASP 58 CO 0.38 -1.64 1.58 0.35 0.52 0.00 0.00 175.17 176.36 2wvj n THR 59 N 6.53 2.09 -0.13 1.71 -2.24 -1.26 -4.99 114.28 116.00 2wvj n THR 59 Ca 0.06 -1.16 -0.11 0.00 -2.27 0.00 0.00 64.05 60.57 2wvj n THR 59 Cb 0.49 -0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.56 2wvj n THR 59 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2wvj h ARG 60 N 3.61 0.73 -0.22 -0.78 3.08 -1.96 -3.52 114.38 115.31 2wvj h ARG 60 Ca 0.00 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.76 2wvj h ARG 60 Cb 1.60 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.62 2wvj h ARG 60 CO 0.34 0.89 0.00 0.00 -1.07 0.00 0.00 179.97 180.13 2wvj n ALA 75 N -2.44 -1.78 -2.62 0.04 0.00 -1.26 -5.20 120.51 107.23 2wvj n ALA 75 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 2wvj n ALA 75 Cb 0.36 -0.30 -0.02 0.00 0.00 0.00 0.00 19.45 19.50 2wvj n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wvj s LEU 76 N -0.37 4.09 0.31 0.00 1.43 -0.14 -4.80 118.68 119.20 2wvj s LEU 76 Ca 0.00 1.39 -0.29 0.00 -1.03 0.00 0.00 54.13 54.20 2wvj s LEU 76 Cb 0.00 -3.54 -0.10 0.00 0.03 0.00 0.00 46.19 42.58 2wvj s LEU 76 CO 0.00 -0.70 1.25 -2.16 0.23 0.00 0.00 176.35 174.97 2wvj s PRO 77 N 3.29 4.43 0.07 1.29 0.04 -1.26 -1.66 135.00 141.20 2wvj s PRO 77 Ca 0.46 2.10 -0.17 0.00 0.04 0.00 0.00 61.00 63.43 2wvj s PRO 77 Cb -0.16 -3.11 0.03 0.00 0.04 0.00 0.00 34.50 31.31 2wvj s PRO 77 CO 0.08 -0.09 0.39 0.00 0.04 0.00 0.00 177.00 177.42 2wvj s ALA 78 N -1.05 -0.92 -0.03 8.56 0.00 -0.33 -4.83 121.76 123.16 2wvj s ALA 78 Ca 0.48 0.15 0.05 0.00 0.00 0.00 0.00 51.96 52.64 2wvj s ALA 78 Cb -0.38 0.44 -0.08 0.00 0.00 0.00 0.00 23.12 23.11 2wvj s ALA 78 CO 0.49 -0.50 0.07 0.00 0.00 0.00 0.00 175.76 175.82 2wvj s LEU 80 N -3.89 1.85 0.50 0.00 1.43 -1.26 -4.63 118.68 112.68 2wvj s LEU 80 Ca -0.02 -0.20 0.29 0.00 -1.03 0.00 0.00 54.13 53.16 2wvj s LEU 80 Cb 0.03 -0.58 1.21 0.00 0.03 0.00 0.00 46.19 46.88 2wvj s LEU 80 CO 0.23 0.09 1.94 -0.07 0.23 0.00 0.00 176.35 178.76 2wvj h LEU 81 N 6.27 0.00 -1.15 1.79 3.38 -1.94 -2.21 115.31 121.44 2wvj h LEU 81 Ca -0.33 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.75 2wvj h LEU 81 Cb 1.17 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.85 2wvj h LEU 81 CO 0.49 0.12 0.59 -0.09 0.09 0.00 0.00 178.44 179.64 2wvj h ARG 82 N 0.00 0.88 0.00 1.13 2.43 -1.96 -2.45 114.38 114.41 2wvj h ARG 82 Ca -0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2wvj h ARG 82 Cb 0.58 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2wvj h ARG 82 CO 0.02 0.58 0.00 -0.25 -1.51 0.00 0.00 179.97 178.81 2wvj n ASP 83 N -4.55 0.00 0.00 -3.80 8.00 -0.83 -2.73 116.55 112.64 2wvj n ASP 83 Ca 0.16 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.64 2wvj n ASP 83 Cb 0.33 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 2wvj n ASP 83 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2wvj n VAL 84 N -1.24 0.12 -0.07 2.53 0.31 -1.02 -4.86 118.33 114.09 2wvj n VAL 84 Ca 0.08 -0.24 0.10 0.00 -0.01 0.00 0.00 64.34 64.27 2wvj n VAL 84 Cb 0.11 1.37 0.48 0.00 -0.91 0.00 0.00 33.84 34.89 2wvj n VAL 84 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wvj h ALA 85 N 0.00 1.94 -0.30 3.52 0.00 -1.25 -0.32 119.26 122.86 2wvj h ALA 85 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2wvj h ALA 85 Cb 0.47 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2wvj h ALA 85 CO 0.00 -0.06 -0.14 0.37 0.00 0.00 0.00 179.25 179.42 2wvj h GLN 86 N 0.45 0.62 -0.37 0.00 5.75 -1.89 -1.67 115.11 118.00 2wvj h GLN 86 Ca 0.25 -0.27 -0.07 0.00 -0.15 0.00 0.00 58.65 58.41 2wvj h GLN 86 Cb 0.42 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.93 2wvj h GLN 86 CO -0.07 0.85 -0.06 0.93 -2.65 0.00 0.00 178.83 177.83 2wvj h GLU 87 N 0.37 0.61 0.00 1.69 3.07 -1.74 -2.90 114.58 115.69 2wvj h GLU 87 Ca 0.07 -0.17 -0.07 0.00 -0.50 0.00 0.00 59.36 58.69 2wvj h GLU 87 Cb 0.66 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 2wvj h GLU 87 CO 0.04 0.68 -0.34 0.00 -1.40 0.00 0.00 179.01 177.99 2wvj h ALA 88 N 1.36 1.01 0.00 3.43 0.00 -0.91 -3.19 119.26 120.97 2wvj h ALA 88 Ca 0.11 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 2wvj h ALA 88 Cb 0.46 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2wvj h ALA 88 CO 0.02 0.43 -0.49 -0.07 0.00 0.00 0.00 179.25 179.14 2wvj h LEU 89 N 0.00 0.00 -3.31 0.00 4.07 -1.09 -3.20 115.31 111.79 2wvj h LEU 89 Ca -0.00 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.62 2wvj h LEU 89 Cb 0.86 0.00 -0.19 0.00 1.08 0.00 0.00 40.66 42.41 2wvj h LEU 89 CO 0.04 0.49 0.43 0.61 -1.08 0.00 0.00 178.44 178.94 2wvj n GLY 90 N 0.06 3.76 3.11 0.83 0.00 -1.20 -4.90 105.19 106.85 2wvj n GLY 90 Ca -0.01 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 45.06 2wvj n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wvj s VAL 91 N -2.22 0.08 -0.06 1.61 1.01 -1.21 -4.99 120.40 114.62 2wvj s VAL 91 Ca 0.36 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.71 2wvj s VAL 91 Cb 0.30 -0.44 -0.24 0.00 0.00 0.00 0.00 36.38 35.99 2wvj s VAL 91 CO 0.05 -0.38 0.60 0.00 0.00 0.00 0.00 175.10 175.36 2wvj h ALA 92 N 4.25 0.66 -3.25 5.51 0.00 -1.54 -3.47 119.26 121.42 2wvj h ALA 92 Ca -0.31 -1.43 -0.59 0.00 0.00 0.00 0.00 54.91 52.59 2wvj h ALA 92 Cb 1.19 0.54 -0.35 0.00 0.00 0.00 0.00 17.79 19.17 2wvj h ALA 92 CO 0.41 1.49 -0.83 0.08 0.00 0.00 0.00 179.25 180.40 2wvj s VAL 93 N -2.59 1.50 -0.22 0.00 1.01 -0.95 -1.65 120.40 117.50 2wvj s VAL 93 Ca -0.10 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 2wvj s VAL 93 Cb 0.08 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 35.09 2wvj s VAL 93 CO 0.81 0.44 -0.09 -0.63 0.00 0.00 0.00 175.10 175.63 2wvj s ILE 94 N 1.07 2.81 -0.15 2.22 1.01 0.74 -1.60 121.20 127.29 2wvj s ILE 94 Ca -0.05 -0.82 -0.08 0.00 0.00 0.00 0.00 60.65 59.70 2wvj s ILE 94 Cb -0.15 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 2wvj s ILE 94 CO -0.03 0.37 0.12 -0.83 0.00 0.00 0.00 174.94 174.58 2wvj s GLY 95 N 1.37 2.08 -0.14 6.18 0.00 0.33 -0.36 107.32 116.78 2wvj s GLY 95 Ca 0.03 -0.67 -0.00 0.00 0.00 0.00 0.00 44.72 44.08 2wvj s GLY 95 CO -0.06 -0.17 -0.10 -0.42 0.00 0.00 0.00 173.10 172.34 2wvj s ILE 96 N -0.43 1.28 -0.04 0.90 1.01 0.46 -0.02 121.20 124.36 2wvj s ILE 96 Ca 0.12 -0.52 -0.09 0.00 0.00 0.00 0.00 60.65 60.16 2wvj s ILE 96 Cb -0.12 -1.28 -0.05 0.00 0.01 0.00 0.00 42.46 41.02 2wvj s ILE 96 CO 0.01 0.35 0.25 -0.62 0.00 0.00 0.00 174.94 174.93 2wvj s ASP 97 N 1.60 6.52 -1.29 3.58 2.15 -0.21 -0.39 116.67 128.64 2wvj s ASP 97 Ca 0.04 0.61 -0.02 0.00 0.43 0.00 0.00 52.55 53.62 2wvj s ASP 97 Cb -0.13 -2.12 -0.00 0.00 -0.30 0.00 0.00 42.92 40.37 2wvj s ASP 97 CO -0.09 0.33 0.70 -0.62 -0.17 0.00 0.00 175.17 175.32 2wvj n GLU 98 N 1.61 -4.50 0.26 4.34 1.02 -0.52 -3.83 120.64 119.01 2wvj n GLU 98 Ca -0.15 0.61 0.17 0.00 -0.02 0.00 0.00 57.16 57.77 2wvj n GLU 98 Cb 0.54 -5.11 0.84 0.00 -0.02 0.00 0.00 31.44 27.69 2wvj n GLU 98 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2wvj h GLY 99 N -1.84 0.00 2.00 0.62 0.00 -1.54 -2.77 103.07 99.54 2wvj h GLY 99 Ca -0.62 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.71 2wvj h GLY 99 CO 0.56 0.00 0.00 0.06 0.00 0.00 0.00 176.54 177.16 2wvj h GLN 100 N 0.00 0.00 -0.01 4.80 -0.00 -1.86 -2.85 115.11 115.19 2wvj h GLN 100 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2wvj h GLN 100 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.68 2wvj h GLN 100 CO 0.00 0.00 -0.11 1.19 -0.00 0.00 0.00 178.83 179.91 2wvj n PHE 101 N -3.66 0.00 -3.55 0.06 0.99 -1.05 -4.66 117.46 105.59 2wvj n PHE 101 Ca -0.03 0.00 -0.38 0.00 -0.00 0.00 0.00 57.45 57.04 2wvj n PHE 101 Cb 0.08 -0.04 -0.11 0.00 -1.00 0.00 0.00 39.48 38.41 2wvj n PHE 101 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.76 176.70 2wvj s PHE 102 N -2.19 3.23 0.45 1.38 0.08 -1.08 -4.97 117.98 114.89 2wvj s PHE 102 Ca 0.32 0.18 0.30 0.00 0.12 0.00 0.00 56.93 57.85 2wvj s PHE 102 Cb 0.20 -2.41 1.63 0.00 -0.57 0.00 0.00 43.02 41.87 2wvj s PHE 102 CO 0.40 -0.16 2.13 -1.35 -0.10 0.00 0.00 175.22 176.15 2wvj h PRO 103 N 8.29 0.00 -0.54 0.24 0.11 -1.87 -2.57 132.00 135.66 2wvj h PRO 103 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2wvj h PRO 103 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2wvj h PRO 103 CO 0.57 0.08 0.00 -0.40 -0.21 0.00 0.00 178.00 178.04 2wvj n ASP 104 N -3.57 4.22 -0.15 -2.05 3.85 -1.26 -4.74 116.55 112.84 2wvj n ASP 104 Ca -0.02 -2.41 -0.04 0.00 -0.71 0.00 0.00 54.79 51.61 2wvj n ASP 104 Cb 0.19 -0.50 0.02 0.00 -1.35 0.00 0.00 41.12 39.49 2wvj n ASP 104 CO 0.00 0.00 0.00 -0.29 -1.01 0.00 0.00 177.20 175.90 2wvj h ILE 105 N 3.36 0.39 0.52 2.12 6.09 -1.75 -1.54 117.51 126.70 2wvj h ILE 105 Ca 0.00 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.47 2wvj h ILE 105 Cb 1.27 0.39 0.00 0.00 0.47 0.00 0.00 36.82 38.96 2wvj h ILE 105 CO 0.17 0.00 -0.28 0.58 -3.07 0.00 0.00 178.15 175.55 2wvj h VAL 106 N -0.09 0.42 -0.36 2.19 2.07 -1.85 -1.87 116.25 116.76 2wvj h VAL 106 Ca 0.23 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.61 2wvj h VAL 106 Cb 0.44 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2wvj h VAL 106 CO -0.53 0.00 -0.32 -0.33 0.02 0.00 0.00 177.57 176.41 2wvj h GLU 107 N -0.74 0.80 0.35 1.57 4.39 -1.89 -2.01 114.58 117.05 2wvj h GLU 107 Ca -0.07 -0.37 -0.01 0.00 0.34 0.00 0.00 59.36 59.25 2wvj h GLU 107 Cb 0.59 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2wvj h GLU 107 CO 0.09 1.00 -0.20 0.35 -1.16 0.00 0.00 179.01 179.09 2wvj h PHE 108 N 0.67 -0.52 -0.39 4.33 3.57 -1.29 -1.27 116.94 122.04 2wvj h PHE 108 Ca 0.07 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.57 2wvj h PHE 108 Cb 0.86 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 2wvj h PHE 108 CO 0.05 -0.32 0.25 0.00 -2.23 0.00 0.00 178.31 176.06 2wvj h GLU 110 N 0.51 1.14 -0.42 0.00 4.57 -1.38 -1.42 114.58 117.58 2wvj h GLU 110 Ca 0.15 -0.18 -0.09 0.00 -1.18 0.00 0.00 59.36 58.06 2wvj h GLU 110 Cb -0.04 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.34 2wvj h GLU 110 CO -0.05 0.90 -0.08 0.00 -1.18 0.00 0.00 179.01 178.60 2wvj h ALA 111 N 1.18 0.57 -0.52 2.92 0.00 -0.76 -1.83 119.26 120.84 2wvj h ALA 111 Ca 0.27 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 2wvj h ALA 111 Cb 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2wvj h ALA 111 CO -0.03 0.43 -0.07 0.52 0.00 0.00 0.00 179.25 180.10 2wvj h MET 112 N 0.62 0.96 -0.49 0.00 2.86 -0.86 -1.91 114.93 116.09 2wvj h MET 112 Ca 0.11 -0.34 -0.08 0.00 -2.06 0.00 0.00 59.70 57.33 2wvj h MET 112 Cb 0.60 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 2wvj h MET 112 CO 0.04 1.00 -0.02 0.00 1.06 0.00 0.00 176.91 179.00 2wvj h ALA 113 N 0.92 1.04 0.00 6.32 0.00 -1.24 -1.59 119.26 124.72 2wvj h ALA 113 Ca 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2wvj h ALA 113 Cb 0.62 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2wvj h ALA 113 CO 0.04 0.59 0.00 -0.91 0.00 0.00 0.00 179.25 178.97 2wvj h ASN 114 N 0.77 0.00 -0.01 0.00 2.35 -1.18 -2.08 115.58 115.43 2wvj h ASN 114 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2wvj h ASN 114 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 2wvj h ASN 114 CO 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.80 2wvj n ALA 115 N -2.06 2.62 0.00 -0.83 0.00 -0.73 -4.92 120.51 114.58 2wvj n ALA 115 Ca 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2wvj n ALA 115 Cb 0.32 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.48 2wvj n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wvj n GLY 116 N 1.11 0.76 3.83 0.00 0.00 -0.78 -4.97 105.19 105.13 2wvj n GLY 116 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 2wvj n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wvj s LYS 117 N -0.95 4.13 -0.42 1.61 3.01 -0.65 -3.72 119.74 122.75 2wvj s LYS 117 Ca 0.00 0.83 -0.21 0.00 -1.01 0.00 0.00 55.97 55.58 2wvj s LYS 117 Cb 0.00 -2.50 0.02 0.00 -1.01 0.00 0.00 37.83 34.34 2wvj s LYS 117 CO 0.00 0.18 0.65 0.99 0.51 0.00 0.00 175.35 177.68 2wvj s THR 118 N -1.91 4.83 -0.22 2.17 2.01 -0.66 -1.26 115.64 120.60 2wvj s THR 118 Ca 0.53 0.25 -0.07 0.00 0.31 0.00 0.00 61.69 62.72 2wvj s THR 118 Cb -0.12 -4.18 -0.03 0.00 0.01 0.00 0.00 72.50 68.18 2wvj s THR 118 CO 0.18 -0.54 0.05 -0.69 -0.69 0.00 0.00 174.62 172.93 2wvj s VAL 119 N 2.83 4.40 -0.16 3.82 1.01 0.86 -0.18 120.40 132.98 2wvj s VAL 119 Ca 0.24 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.07 2wvj s VAL 119 Cb -0.14 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.24 2wvj s VAL 119 CO 0.18 0.39 -0.18 -0.63 0.00 0.00 0.00 175.10 174.86 2wvj s ILE 120 N 1.09 1.88 -0.17 2.22 1.01 0.52 -0.23 121.20 127.51 2wvj s ILE 120 Ca 0.04 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.86 2wvj s ILE 120 Cb -0.14 -1.71 0.01 0.00 0.01 0.00 0.00 42.46 40.63 2wvj s ILE 120 CO 0.03 0.51 -0.18 -0.69 0.00 0.00 0.00 174.94 174.61 2wvj s VAL 121 N 1.27 2.28 -0.16 2.92 1.01 0.29 -0.40 120.40 127.61 2wvj s VAL 121 Ca 0.03 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 61.01 2wvj s VAL 121 Cb -0.13 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 2wvj s VAL 121 CO -0.10 0.53 0.22 0.00 0.00 0.00 0.00 175.10 175.75 2wvj s ALA 122 N 1.17 3.66 -0.20 5.51 0.00 0.48 0.24 121.76 132.63 2wvj s ALA 122 Ca 0.02 -0.55 -0.27 0.00 0.00 0.00 0.00 51.96 51.16 2wvj s ALA 122 Cb -0.14 -2.27 0.08 0.00 0.00 0.00 0.00 23.12 20.80 2wvj s ALA 122 CO -0.08 0.19 0.78 0.00 0.00 0.00 0.00 175.76 176.65 2wvj s ALA 123 N 0.19 -1.82 0.11 0.00 0.00 -0.81 -1.44 121.76 117.99 2wvj s ALA 123 Ca 0.14 1.75 -0.31 0.00 0.00 0.00 0.00 51.96 53.54 2wvj s ALA 123 Cb -0.12 -0.82 -0.08 0.00 0.00 0.00 0.00 23.12 22.09 2wvj s ALA 123 CO 0.02 -0.33 1.48 -0.51 0.00 0.00 0.00 175.76 176.43 2wvj s LEU 124 N -0.25 4.36 0.10 0.00 1.02 -1.26 -3.41 118.68 119.25 2wvj s LEU 124 Ca -0.03 2.41 0.00 0.00 0.02 0.00 0.00 54.13 56.54 2wvj s LEU 124 Cb -0.03 -3.58 -0.21 0.00 0.02 0.00 0.00 46.19 42.38 2wvj s LEU 124 CO 0.03 -0.75 1.23 -2.24 0.02 0.00 0.00 176.35 174.63 2wvj h ASP 125 N 7.14 0.27 -4.26 2.29 -0.00 -1.93 -3.42 116.42 116.50 2wvj h ASP 125 Ca -0.42 -0.27 -0.52 0.00 -0.00 0.00 0.00 57.03 55.81 2wvj h ASP 125 Cb 1.20 -0.09 -0.22 0.00 -0.00 0.00 0.00 39.33 40.23 2wvj h ASP 125 CO 0.89 1.19 -0.82 -0.83 -0.00 0.00 0.00 179.24 179.67 2wvj s GLY 126 N -4.64 1.13 0.90 7.15 0.00 -1.26 -2.26 107.32 108.34 2wvj s GLY 126 Ca -0.02 -1.16 -0.15 0.00 0.00 0.00 0.00 44.72 43.38 2wvj s GLY 126 CO 0.85 -1.16 1.19 -1.30 0.00 0.00 0.00 173.10 172.68 2wvj n THR 127 N 1.22 0.00 0.18 0.90 -2.24 0.02 -4.76 114.28 109.60 2wvj n THR 127 Ca -0.20 -0.86 0.12 0.00 -2.27 0.00 0.00 64.05 60.85 2wvj n THR 127 Cb 0.54 -1.54 0.66 0.00 -2.10 0.00 0.00 70.33 67.89 2wvj n THR 127 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 2wvj h PHE 128 N -1.75 0.00 -0.65 4.78 -5.15 -1.90 -0.56 116.94 111.71 2wvj h PHE 128 Ca -0.39 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.38 2wvj h PHE 128 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.24 2wvj h PHE 128 CO 0.00 0.00 0.00 1.04 -2.00 0.00 0.00 178.31 177.35 2wvj n GLN 129 N -2.35 2.68 -3.78 6.09 6.02 -1.26 -4.64 117.38 120.14 2wvj n GLN 129 Ca -0.02 -2.57 -0.28 0.00 -0.01 0.00 0.00 57.00 54.12 2wvj n GLN 129 Cb 0.05 -1.55 0.03 0.00 1.02 0.00 0.00 30.24 29.79 2wvj n GLN 129 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2wvj n ARG 130 N 1.59 -5.71 -4.15 -1.09 1.74 -0.22 -5.01 116.66 103.81 2wvj n ARG 130 Ca 0.23 0.64 -0.24 0.00 -0.77 0.00 0.00 57.85 57.71 2wvj n ARG 130 Cb 0.61 -5.55 -0.05 0.00 -1.02 0.00 0.00 32.46 26.45 2wvj n ARG 130 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2wvj s LYS 131 N -6.49 2.75 0.14 5.56 1.02 -1.26 -4.86 119.74 116.61 2wvj s LYS 131 Ca 0.62 -1.07 -0.34 0.00 0.02 0.00 0.00 55.97 55.19 2wvj s LYS 131 Cb -0.30 -2.49 -0.15 0.00 -0.52 0.00 0.00 37.83 34.36 2wvj s LYS 131 CO 0.76 0.42 1.37 -2.30 -0.92 0.00 0.00 175.35 174.69 2wvj n PRO 132 N -0.80 1.53 -2.65 -1.68 -0.02 -1.26 -0.80 135.00 129.32 2wvj n PRO 132 Ca -0.08 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.53 2wvj n PRO 132 Cb 0.57 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 2wvj n PRO 132 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2wvj s PHE 133 N 0.38 2.45 0.00 6.00 5.99 -0.96 -4.66 117.98 127.18 2wvj s PHE 133 Ca 0.78 -0.32 0.00 0.00 0.00 0.00 0.00 56.93 57.39 2wvj s PHE 133 Cb -0.82 -4.53 0.00 0.00 0.00 0.00 0.00 43.02 37.67 2wvj s PHE 133 CO 0.46 -1.93 0.00 0.41 -0.00 0.00 0.00 175.22 174.16 2wvj n GLY 134 N 5.54 3.26 1.08 13.12 0.00 -1.26 -2.79 105.19 124.14 2wvj n GLY 134 Ca 0.05 -0.21 0.11 0.00 0.00 0.00 0.00 46.02 45.98 2wvj n GLY 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wvj n ALA 135 N 10.38 2.42 -0.19 4.61 0.00 -1.26 -4.67 120.51 131.79 2wvj n ALA 135 Ca 0.00 -0.98 0.07 0.00 0.00 0.00 0.00 53.44 52.53 2wvj n ALA 135 Cb 0.00 -0.94 0.35 0.00 0.00 0.00 0.00 19.45 18.86 2wvj n ALA 135 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2wvj h ILE 136 N 3.80 1.00 0.00 0.00 6.09 -1.84 -1.36 117.51 125.20 2wvj h ILE 136 Ca 0.00 -0.26 0.00 0.00 -1.37 0.00 0.00 64.86 63.23 2wvj h ILE 136 Cb 0.85 0.18 0.00 0.00 0.47 0.00 0.00 36.82 38.32 2wvj h ILE 136 CO 0.00 0.14 0.00 -0.07 -3.07 0.00 0.00 178.15 175.15 2wvj h LEU 137 N 0.75 0.00 -2.26 2.19 3.38 -1.83 -2.53 115.31 115.01 2wvj h LEU 137 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2wvj h LEU 137 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2wvj h LEU 137 CO -0.11 0.00 0.00 0.78 0.09 0.00 0.00 178.44 179.20 2wvj h ASN 138 N 0.00 0.00 0.41 -0.43 2.35 -1.61 -2.20 115.58 114.10 2wvj h ASN 138 Ca 0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 2wvj h ASN 138 Cb 0.44 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 2wvj h ASN 138 CO 0.00 0.00 -0.42 -0.07 -1.65 0.00 0.00 177.43 175.29 2wvj h LEU 139 N 0.00 0.01 -0.00 1.61 3.38 -1.62 -3.36 115.31 115.32 2wvj h LEU 139 Ca 0.00 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2wvj h LEU 139 Cb 0.16 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2wvj h LEU 139 CO 0.00 0.42 -0.22 0.58 0.09 0.00 0.00 178.44 179.31 2wvj h VAL 140 N 0.00 0.48 0.00 1.22 2.07 -1.60 -1.01 116.25 117.42 2wvj h VAL 140 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2wvj h VAL 140 Cb 0.74 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2wvj h VAL 140 CO 0.05 0.00 0.00 -0.65 0.02 0.00 0.00 177.57 176.99 2wvj h PRO 141 N -0.35 0.00 0.00 1.57 0.11 -1.77 -2.21 132.00 129.34 2wvj h PRO 141 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2wvj h PRO 141 Cb 0.43 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.54 2wvj h PRO 141 CO -0.20 0.00 -0.72 1.28 -0.21 0.00 0.00 178.00 178.14 2wvj n LEU 142 N -2.72 0.62 -4.87 2.35 4.77 -0.50 -4.98 117.00 111.66 2wvj n LEU 142 Ca -0.01 -0.03 -0.37 0.00 -0.03 0.00 0.00 56.01 55.58 2wvj n LEU 142 Cb 0.15 -0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 2wvj n LEU 142 CO 0.19 0.09 -0.09 0.00 -1.33 0.00 0.00 177.39 176.25 2wvj s ALA 143 N -3.08 3.84 -0.41 -1.18 0.00 -0.51 -4.75 121.76 115.66 2wvj s ALA 143 Ca 0.08 -0.54 0.23 0.00 0.00 0.00 0.00 51.96 51.72 2wvj s ALA 143 Cb 0.16 -2.07 0.30 0.00 0.00 0.00 0.00 23.12 21.50 2wvj s ALA 143 CO 0.75 0.60 1.54 1.05 0.00 0.00 0.00 175.76 179.70 2wvj h GLU 144 N 4.68 0.00 -3.67 0.00 9.09 -1.65 -3.45 114.58 119.58 2wvj h GLU 144 Ca -0.53 0.00 -0.35 0.00 0.05 0.00 0.00 59.36 58.53 2wvj h GLU 144 Cb 1.22 0.00 -0.35 0.00 -1.65 0.00 0.00 28.75 27.97 2wvj h GLU 144 CO 0.61 0.00 -0.75 0.45 0.05 0.00 0.00 179.01 179.37 2wvj s SER 145 N -6.10 0.51 -0.02 3.06 0.15 -1.17 -5.06 113.70 105.08 2wvj s SER 145 Ca 0.06 -0.02 -0.00 0.00 0.70 0.00 0.00 55.95 56.69 2wvj s SER 145 Cb 0.06 -0.22 0.03 0.00 -1.71 0.00 0.00 66.02 64.18 2wvj s SER 145 CO 0.69 -0.12 0.04 -0.69 1.20 0.00 0.00 173.24 174.36 2wvj s VAL 146 N 1.16 -0.05 0.03 4.45 1.01 -1.26 -0.80 120.40 124.93 2wvj s VAL 146 Ca -0.08 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.11 2wvj s VAL 146 Cb -0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 36.38 36.13 2wvj s VAL 146 CO -0.02 0.08 -0.07 0.54 0.00 0.00 0.00 175.10 175.63 2wvj s VAL 147 N 0.97 0.49 -0.20 2.92 0.11 -0.81 -5.00 120.40 118.88 2wvj s VAL 147 Ca -0.08 -0.83 0.00 0.00 -2.93 0.00 0.00 61.98 58.15 2wvj s VAL 147 Cb -0.11 -0.52 0.02 0.00 -1.53 0.00 0.00 36.38 34.24 2wvj s VAL 147 CO -0.03 -0.24 -0.16 -0.75 -3.33 0.00 0.00 175.10 170.59 2wvj s LYS 148 N -1.16 2.93 0.74 1.54 2.20 -1.26 -0.52 119.74 124.22 2wvj s LYS 148 Ca -0.07 -0.88 -0.12 0.00 -0.36 0.00 0.00 55.97 54.55 2wvj s LYS 148 Cb -0.08 -2.69 0.03 0.00 -1.51 0.00 0.00 37.83 33.58 2wvj s LYS 148 CO 0.00 -0.27 1.12 -0.51 -0.36 0.00 0.00 175.35 175.33 2wvj s LEU 149 N 1.29 2.78 0.11 5.43 1.43 -0.11 -4.93 118.68 124.68 2wvj s LEU 149 Ca 0.03 1.06 0.10 0.00 -1.03 0.00 0.00 54.13 54.29 2wvj s LEU 149 Cb -0.14 -3.77 -0.04 0.00 0.03 0.00 0.00 46.19 42.27 2wvj s LEU 149 CO -0.10 -1.52 -0.24 0.42 0.23 0.00 0.00 176.35 175.14 2wvj s THR 150 N -3.40 2.40 0.29 5.49 -4.23 -1.26 -4.35 115.64 110.58 2wvj s THR 150 Ca 0.59 -1.60 0.04 0.00 -1.18 0.00 0.00 61.69 59.54 2wvj s THR 150 Cb -0.11 -2.04 0.04 0.00 1.34 0.00 0.00 72.50 71.72 2wvj s THR 150 CO 0.51 0.16 0.31 0.00 -0.54 0.00 0.00 174.62 175.06 2wvj n ALA 151 N 1.09 0.53 -2.88 3.99 0.00 -0.27 -4.63 120.51 118.34 2wvj n ALA 151 Ca -0.17 -1.10 -0.34 0.00 0.00 0.00 0.00 53.44 51.82 2wvj n ALA 151 Cb 0.53 0.38 -0.11 0.00 0.00 0.00 0.00 19.45 20.25 2wvj n ALA 151 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wvj s VAL 152 N -1.12 4.37 0.07 0.00 1.01 -1.26 -0.62 120.40 122.85 2wvj s VAL 152 Ca 0.23 -0.18 -0.31 0.00 0.00 0.00 0.00 61.98 61.72 2wvj s VAL 152 Cb -0.02 -2.95 -0.08 0.00 0.00 0.00 0.00 36.38 33.33 2wvj s VAL 152 CO 0.15 0.48 1.69 0.00 0.00 0.00 0.00 175.10 177.42 2wvj n MET 154 N 5.75 0.63 -0.04 0.00 2.81 -0.07 -0.66 117.12 125.55 2wvj n MET 154 Ca 0.16 -0.01 -0.03 0.00 -1.81 0.00 0.00 57.70 56.01 2wvj n MET 154 Cb 0.40 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.35 2wvj n MET 154 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2wvj n GLU 155 N -1.17 2.56 0.00 0.03 1.02 -1.26 -4.78 120.64 117.04 2wvj n GLU 155 Ca 0.18 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 2wvj n GLU 155 Cb 0.20 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 2wvj n GLU 155 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wvj n PHE 157 N -0.33 0.00 -1.87 0.00 3.01 0.17 -5.00 117.46 113.43 2wvj n PHE 157 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.30 2wvj n PHE 157 Cb 0.03 -1.65 0.10 0.00 -0.01 0.00 0.00 39.48 37.96 2wvj n PHE 157 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2wvj n ARG 158 N -2.03 -0.42 -2.13 -1.08 1.74 -1.26 -4.64 116.66 106.83 2wvj n ARG 158 Ca -0.07 -1.35 -0.40 0.00 -0.77 0.00 0.00 57.85 55.26 2wvj n ARG 158 Cb 0.32 -0.65 -0.02 0.00 -1.02 0.00 0.00 32.46 31.08 2wvj n ARG 158 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2wvj s GLU 159 N -4.44 4.31 -0.05 5.56 2.02 -1.26 0.14 118.70 124.97 2wvj s GLU 159 Ca 0.42 2.17 0.06 0.00 0.02 0.00 0.00 54.97 57.64 2wvj s GLU 159 Cb -0.02 -3.02 -0.02 0.00 0.10 0.00 0.00 34.13 31.18 2wvj s GLU 159 CO 0.29 -0.21 -0.21 0.00 0.02 0.00 0.00 175.26 175.15 2wvj s ALA 160 N -1.17 2.37 0.00 5.21 0.00 0.21 -4.28 121.76 124.11 2wvj s ALA 160 Ca 0.50 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.42 2wvj s ALA 160 Cb -0.39 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 21.96 2wvj s ALA 160 CO 0.51 0.50 0.17 0.00 0.00 0.00 0.00 175.76 176.94 2wvj n ALA 161 N 2.56 1.98 -2.28 0.00 0.00 -1.08 -1.12 120.51 120.58 2wvj n ALA 161 Ca -0.17 -0.17 -0.15 0.00 0.00 0.00 0.00 53.44 52.95 2wvj n ALA 161 Cb 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.87 2wvj n ALA 161 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2wvj s TYR 162 N -0.57 1.37 -0.21 0.00 1.51 -0.88 -4.17 117.35 114.40 2wvj s TYR 162 Ca 0.00 -0.81 -0.03 0.00 -1.01 0.00 0.00 57.07 55.22 2wvj s TYR 162 Cb 0.00 -0.73 -0.00 0.00 -0.11 0.00 0.00 41.96 41.12 2wvj s TYR 162 CO 0.00 0.05 -0.07 -1.12 -1.11 0.00 0.00 175.55 173.30 2wvj s SER 163 N -3.22 4.07 -0.26 2.29 0.01 -1.26 -1.08 113.70 114.25 2wvj s SER 163 Ca 0.21 -0.45 -0.09 0.00 1.31 0.00 0.00 55.95 56.92 2wvj s SER 163 Cb 0.03 -1.69 -0.04 0.00 0.21 0.00 0.00 66.02 64.54 2wvj s SER 163 CO 0.03 -0.02 0.13 -0.75 0.41 0.00 0.00 173.24 173.05 2wvj s LYS 164 N 1.44 3.85 0.10 12.44 2.20 0.54 -4.26 119.74 136.05 2wvj s LYS 164 Ca 0.06 -0.38 -0.30 0.00 -0.36 0.00 0.00 55.97 54.98 2wvj s LYS 164 Cb -0.14 -3.48 -0.06 0.00 -1.51 0.00 0.00 37.83 32.63 2wvj s LYS 164 CO -0.05 -0.12 1.21 0.50 -0.36 0.00 0.00 175.35 176.52 2wvj s ARG 165 N 1.52 4.45 0.27 4.03 3.52 -1.26 -0.85 118.95 130.62 2wvj s ARG 165 Ca 0.06 1.81 0.21 0.00 -0.13 0.00 0.00 55.73 57.68 2wvj s ARG 165 Cb -0.15 -3.31 0.09 0.00 -1.56 0.00 0.00 34.95 30.02 2wvj s ARG 165 CO 0.07 -0.21 1.23 -0.07 -0.81 0.00 0.00 175.30 175.51 2wvj h LEU 166 N 6.38 0.00 0.00 -0.88 3.38 -0.92 -3.48 115.31 119.79 2wvj h LEU 166 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2wvj h LEU 166 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2wvj h LEU 166 CO 0.80 0.13 0.00 0.61 0.09 0.00 0.00 178.44 180.07 2wvj n GLY 167 N 1.19 1.60 0.01 0.83 0.00 -1.26 -5.06 105.19 102.49 2wvj n GLY 167 Ca 0.00 -2.04 0.08 0.00 0.00 0.00 0.00 46.02 44.07 2wvj n GLY 167 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wvj n THR 168 N -0.56 0.00 -1.68 2.61 -2.24 -1.26 -5.02 114.28 106.13 2wvj n THR 168 Ca 0.00 -0.32 -0.41 0.00 -2.27 0.00 0.00 64.05 61.05 2wvj n THR 168 Cb 0.00 0.34 0.01 0.00 -2.10 0.00 0.00 70.33 68.58 2wvj n THR 168 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2wvj n GLU 169 N -1.90 1.78 -0.00 -0.78 0.00 -1.26 -4.96 120.64 113.51 2wvj n GLU 169 Ca -0.02 0.63 0.06 0.00 0.00 0.00 0.00 57.16 57.84 2wvj n GLU 169 Cb 0.39 -2.29 -0.09 0.00 0.00 0.00 0.00 31.44 29.44 2wvj n GLU 169 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2wvj n LYS 170 N 0.07 0.75 -2.07 3.44 4.76 -1.26 -4.99 118.16 118.85 2wvj n LYS 170 Ca 0.07 -0.10 -0.35 0.00 -2.87 0.00 0.00 58.31 55.07 2wvj n LYS 170 Cb 0.39 -1.27 0.02 0.00 -1.84 0.00 0.00 35.03 32.34 2wvj n LYS 170 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2wvj s GLU 171 N -2.78 3.10 0.00 1.97 1.03 -1.26 -4.99 118.70 115.78 2wvj s GLU 171 Ca -0.03 1.63 -0.24 0.00 0.03 0.00 0.00 54.97 56.35 2wvj s GLU 171 Cb 0.08 -1.97 -0.15 0.00 -0.80 0.00 0.00 34.13 31.30 2wvj s GLU 171 CO 0.52 -1.06 1.10 0.28 -1.33 0.00 0.00 175.26 174.78 2wvj h VAL 172 N 0.83 0.36 -2.29 1.83 2.07 -2.06 -3.40 116.25 113.59 2wvj h VAL 172 Ca -0.49 -0.51 -0.53 0.00 0.82 0.00 0.00 66.70 66.00 2wvj h VAL 172 Cb 1.27 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.50 2wvj h VAL 172 CO 0.56 0.06 1.19 -0.70 0.02 0.00 0.00 177.57 178.69 2wvj s GLU 173 N -4.46 2.99 -0.23 1.57 2.12 -1.26 -4.93 118.70 114.50 2wvj s GLU 173 Ca -0.13 0.23 -0.02 0.00 0.36 0.00 0.00 54.97 55.41 2wvj s GLU 173 Cb 0.02 -4.25 0.07 0.00 0.26 0.00 0.00 34.13 30.22 2wvj s GLU 173 CO 0.46 -2.34 0.03 0.08 -0.54 0.00 0.00 175.26 172.95 2wvj s VAL 174 N 7.12 0.76 0.16 3.70 1.01 -1.26 -5.13 120.40 126.75 2wvj s VAL 174 Ca 0.51 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 2wvj s VAL 174 Cb -0.10 -1.29 -0.08 0.00 0.00 0.00 0.00 36.38 34.91 2wvj s VAL 174 CO 0.19 -0.29 1.21 -0.63 0.00 0.00 0.00 175.10 175.58 2wvj s ILE 175 N 1.73 3.63 0.00 2.22 -1.09 -1.26 -4.99 121.20 121.45 2wvj s ILE 175 Ca 0.00 1.33 0.00 0.00 -2.23 0.00 0.00 60.65 59.75 2wvj s ILE 175 Cb -0.17 -3.85 0.00 0.00 -1.58 0.00 0.00 42.46 36.86 2wvj s ILE 175 CO -0.11 0.19 0.00 0.61 -1.23 0.00 0.00 174.94 174.40 2wvj n GLY 176 N 2.41 1.55 0.00 6.18 0.00 -1.26 -5.05 105.19 109.03 2wvj n GLY 176 Ca 0.05 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2wvj n GLY 176 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wvj n GLY 177 N -0.51 3.09 0.13 -0.02 0.00 -1.26 -4.84 105.19 101.77 2wvj n GLY 177 Ca 0.00 -1.32 0.11 0.00 0.00 0.00 0.00 46.02 44.81 2wvj n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wvj n ALA 178 N -3.00 1.47 0.21 4.61 0.00 -1.26 -1.08 120.51 121.47 2wvj n ALA 178 Ca 0.00 0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.64 2wvj n ALA 178 Cb 0.00 -1.35 0.40 0.00 0.00 0.00 0.00 19.45 18.50 2wvj n ALA 178 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2wvj h ASP 179 N 0.00 0.00 0.00 0.00 2.03 -2.03 -3.35 116.42 113.07 2wvj h ASP 179 Ca 0.00 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.26 2wvj h ASP 179 Cb 0.25 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.74 2wvj h ASP 179 CO 0.00 0.26 -1.35 0.29 -1.03 0.00 0.00 179.24 177.41 2wvj n LYS 180 N -3.40 1.10 -4.11 4.15 5.02 -0.33 -4.93 118.16 115.67 2wvj n LYS 180 Ca 0.00 -0.04 -0.14 0.00 -2.02 0.00 0.00 58.31 56.11 2wvj n LYS 180 Cb 0.47 -1.16 -0.12 0.00 -0.02 0.00 0.00 35.03 34.19 2wvj n LYS 180 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2wvj s TYR 181 N -2.37 0.64 -0.09 2.13 1.51 -0.24 -0.17 117.35 118.76 2wvj s TYR 181 Ca -0.03 -0.36 0.02 0.00 -1.01 0.00 0.00 57.07 55.69 2wvj s TYR 181 Cb 0.04 -0.39 -0.02 0.00 -0.11 0.00 0.00 41.96 41.48 2wvj s TYR 181 CO 0.27 -0.05 -0.14 -1.01 -1.11 0.00 0.00 175.55 173.51 2wvj s HIS 182 N -0.96 2.74 0.17 2.71 3.76 -0.03 -4.19 115.29 119.49 2wvj s HIS 182 Ca -0.06 -0.44 -0.30 0.00 -0.15 0.00 0.00 55.06 54.12 2wvj s HIS 182 Cb -0.07 -1.73 -0.08 0.00 1.11 0.00 0.00 32.58 31.80 2wvj s HIS 182 CO 0.00 -0.04 1.16 -1.54 -0.85 0.00 0.00 174.74 173.47 2wvj s SER 183 N -0.16 7.16 -0.08 1.40 1.04 -1.26 -0.34 113.70 121.46 2wvj s SER 183 Ca -0.01 2.16 -0.11 0.00 0.48 0.00 0.00 55.95 58.47 2wvj s SER 183 Cb -0.13 -2.60 0.02 0.00 0.10 0.00 0.00 66.02 63.41 2wvj s SER 183 CO 0.03 -0.32 0.28 0.54 0.98 0.00 0.00 173.24 174.76 2wvj s VAL 184 N -0.04 0.02 0.95 5.02 0.11 -0.24 -0.89 120.40 125.33 2wvj s VAL 184 Ca 0.52 -0.17 -0.15 0.00 -2.93 0.00 0.00 61.98 59.25 2wvj s VAL 184 Cb -0.31 -0.46 0.18 0.00 -1.53 0.00 0.00 36.38 34.26 2wvj s VAL 184 CO 0.35 -0.09 1.24 0.00 -3.33 0.00 0.00 175.10 173.27 2wvj h ARG 186 N -1.62 -0.33 -0.25 0.00 2.43 -1.99 -1.33 114.38 111.30 2wvj h ARG 186 Ca -0.46 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 58.73 2wvj h ARG 186 Cb 1.28 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.89 2wvj h ARG 186 CO 0.47 -0.22 0.15 -0.07 -1.51 0.00 0.00 179.97 178.80 2wvj h LEU 187 N -0.34 0.30 -1.47 3.80 3.38 -1.99 -2.62 115.31 116.37 2wvj h LEU 187 Ca 0.05 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2wvj h LEU 187 Cb 0.41 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2wvj h LEU 187 CO -0.18 0.25 -0.25 0.00 0.09 0.00 0.00 178.44 178.35 2wvj h TYR 189 N 0.00 1.13 -0.03 0.00 3.20 -0.86 -2.95 116.97 117.47 2wvj h TYR 189 Ca -0.00 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.78 2wvj h TYR 189 Cb 0.56 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.49 2wvj h TYR 189 CO 0.00 0.87 0.00 1.19 -1.64 0.00 0.00 178.16 178.58 2wvj n PHE 190 N -4.33 0.01 0.83 -3.82 3.01 -1.06 -5.09 117.46 107.01 2wvj n PHE 190 Ca 0.06 -0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.59 2wvj n PHE 190 Cb 0.18 0.00 0.39 0.00 -0.01 0.00 0.00 39.48 40.04 2wvj n PHE 190 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94