#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdk n ARG 3 N 0.00 0.00 0.00 1.61 -4.01 -1.26 -4.44 116.66 108.56 2wdk n ARG 3 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 2wdk n ARG 3 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 2wdk n ARG 3 CO 0.00 0.00 0.00 0.98 -3.04 0.00 0.00 177.63 175.57 2wdk n TYR 4 N -0.05 0.00 0.00 2.89 9.36 -1.26 -4.90 117.16 123.20 2wdk n TYR 4 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2wdk n TYR 4 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 2wdk n TYR 4 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 2wdk n ILE 5 N 0.00 -0.86 0.00 2.97 5.41 -1.26 -5.11 119.36 120.51 2wdk n ILE 5 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2wdk n ILE 5 Cb 0.00 -0.50 0.00 0.00 -0.71 0.00 0.00 39.64 38.43 2wdk n ILE 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2wdk n GLY 6 N -0.24 1.78 0.00 7.39 0.00 -1.26 -5.01 105.19 107.85 2wdk n GLY 6 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.99 2wdk n GLY 6 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wdk n PRO 7 N 1.16 0.00 -0.08 1.61 -0.02 -1.26 -4.89 135.00 131.52 2wdk n PRO 7 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.39 2wdk n PRO 7 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.45 2wdk n PRO 7 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2wdk n VAL 8 N 0.00 1.46 -1.06 -1.45 0.31 -1.26 -4.47 118.33 111.85 2wdk n VAL 8 Ca 0.00 0.14 -0.36 0.00 -0.01 0.00 0.00 64.34 64.10 2wdk n VAL 8 Cb 0.00 -2.22 -0.04 0.00 -0.91 0.00 0.00 33.84 30.67 2wdk n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdk n ARG 10 N 5.97 2.69 -0.05 0.00 0.63 -1.26 -4.71 116.66 119.94 2wdk n ARG 10 Ca 0.49 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 57.41 2wdk n ARG 10 Cb 0.31 -0.28 -0.13 0.00 0.45 0.00 0.00 32.46 32.82 2wdk n ARG 10 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2wdk n LEU 11 N -0.09 0.00 0.22 6.15 4.77 0.37 -3.70 117.00 124.72 2wdk n LEU 11 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 2wdk n LEU 11 Cb 0.00 0.21 0.57 0.00 -2.33 0.00 0.00 43.42 41.87 2wdk n LEU 11 CO 0.00 0.21 0.92 0.00 -1.33 0.00 0.00 177.39 177.19 2wdk n ARG 13 N -2.37 3.14 0.00 0.00 1.74 -1.24 -3.67 116.66 114.25 2wdk n ARG 13 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 2wdk n ARG 13 Cb 0.27 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.71 2wdk n ARG 13 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2wdk n ARG 14 N -0.06 0.00 0.22 5.56 3.00 -1.26 -3.22 116.66 120.91 2wdk n ARG 14 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 57.85 58.01 2wdk n ARG 14 Cb 0.00 0.00 0.78 0.00 0.00 0.00 0.00 32.46 33.24 2wdk n ARG 14 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2wdk h GLU 15 N 0.00 0.00 0.00 -0.14 3.07 -1.87 -3.45 114.58 112.19 2wdk h GLU 15 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2wdk h GLU 15 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2wdk h GLU 15 CO 0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 2wdk n GLY 16 N -0.85 1.69 3.37 -3.84 0.00 -1.20 -4.82 105.19 99.54 2wdk n GLY 16 Ca -0.01 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 2wdk n GLY 16 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wdk n VAL 17 N 0.00 0.00 -1.25 1.61 0.31 -1.26 -4.69 118.33 113.05 2wdk n VAL 17 Ca 0.00 -0.29 -0.49 0.00 -0.01 0.00 0.00 64.34 63.55 2wdk n VAL 17 Cb 0.00 -1.09 -0.07 0.00 -0.91 0.00 0.00 33.84 31.77 2wdk n VAL 17 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2wdk n LYS 18 N 6.69 0.00 -4.88 5.55 4.81 -1.24 -4.96 118.16 124.13 2wdk n LYS 18 Ca 0.31 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.49 2wdk n LYS 18 Cb 0.44 -1.19 -0.15 0.00 0.02 0.00 0.00 35.03 34.15 2wdk n LYS 18 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 2wdk s LEU 19 N 0.73 2.06 -0.68 3.14 0.05 -1.26 -5.07 118.68 117.65 2wdk s LEU 19 Ca 0.76 -0.37 -0.27 0.00 0.05 0.00 0.00 54.13 54.29 2wdk s LEU 19 Cb -1.06 -0.98 0.02 0.00 -2.05 0.00 0.00 46.19 42.12 2wdk s LEU 19 CO 0.51 0.22 1.38 -0.31 -0.55 0.00 0.00 176.35 177.60 2wdk s TYR 20 N -0.50 2.22 -0.25 3.48 1.51 -1.26 -4.65 117.35 117.90 2wdk s TYR 20 Ca 0.07 0.20 0.06 0.00 -1.01 0.00 0.00 57.07 56.39 2wdk s TYR 20 Cb -0.08 -4.50 -0.07 0.00 -0.11 0.00 0.00 41.96 37.20 2wdk s TYR 20 CO -0.00 -2.05 0.24 1.28 -1.11 0.00 0.00 175.55 173.90 2wdk n LEU 21 N 9.81 0.25 -0.13 -1.29 4.77 -1.26 -4.72 117.00 124.44 2wdk n LEU 21 Ca 0.07 -0.44 -0.25 0.00 -0.03 0.00 0.00 56.01 55.36 2wdk n LEU 21 Cb 0.49 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.50 2wdk n LEU 21 CO 0.71 0.06 -1.22 0.29 -1.33 0.00 0.00 177.39 175.90 2wdk n LYS 22 N -1.21 0.57 0.00 3.23 5.02 -1.26 -4.70 118.16 119.82 2wdk n LYS 22 Ca 0.01 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 2wdk n LYS 22 Cb 0.10 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 2wdk n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdk n GLY 23 N 1.31 0.61 0.38 0.72 0.00 -1.26 -4.55 105.19 102.40 2wdk n GLY 23 Ca -0.45 -1.18 -0.07 0.00 0.00 0.00 0.00 46.02 44.33 2wdk n GLY 23 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2wdk h GLU 24 N 0.00 -0.17 -0.10 1.61 4.81 -1.99 -1.35 114.58 117.39 2wdk h GLU 24 Ca 0.00 0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.11 2wdk h GLU 24 Cb 0.00 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2wdk h GLU 24 CO 0.00 -0.11 -0.51 -0.09 -0.73 0.00 0.00 179.01 177.57 2wdk h ARG 25 N -0.18 0.28 0.00 1.92 2.43 -1.96 -1.11 114.38 115.77 2wdk h ARG 25 Ca 0.21 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2wdk h ARG 25 Cb 0.56 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 2wdk h ARG 25 CO -0.74 0.72 0.00 0.00 -1.51 0.00 0.00 179.97 178.45 2wdk n TYR 27 N -1.47 0.00 -0.55 0.00 4.02 -0.73 -4.54 117.16 113.89 2wdk n TYR 27 Ca 0.03 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.68 2wdk n TYR 27 Cb 0.11 -0.74 0.17 0.00 -0.02 0.00 0.00 39.34 38.86 2wdk n TYR 27 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2wdk n SER 28 N -2.52 -2.92 -2.03 7.72 7.64 -0.49 -4.72 113.62 116.31 2wdk n SER 28 Ca -0.22 -0.35 -0.15 0.00 1.01 0.00 0.00 58.87 59.16 2wdk n SER 28 Cb 0.93 -0.84 -0.06 0.00 -1.01 0.00 0.00 64.21 63.22 2wdk n SER 28 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2wdk n PRO 29 N -2.19 1.89 -2.65 1.43 -0.04 -1.26 -4.02 135.00 128.15 2wdk n PRO 29 Ca 0.05 -1.33 -0.05 0.00 -0.04 0.00 0.00 63.50 62.13 2wdk n PRO 29 Cb 0.47 -1.77 0.03 0.00 -0.04 0.00 0.00 33.50 32.19 2wdk n PRO 29 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2wdk n LYS 30 N 1.35 0.55 0.00 0.54 2.85 -1.26 -4.89 118.16 117.30 2wdk n LYS 30 Ca 0.34 -1.09 0.00 0.00 -1.05 0.00 0.00 58.31 56.51 2wdk n LYS 30 Cb 0.66 -0.01 0.00 0.00 -0.65 0.00 0.00 35.03 35.02 2wdk n LYS 30 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2wdk n ALA 32 N 0.35 0.00 0.08 0.00 0.00 -1.26 -4.24 120.51 115.44 2wdk n ALA 32 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2wdk n ALA 32 Cb 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.68 2wdk n ALA 32 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2wdk h MET 33 N 0.00 0.24 0.00 0.00 1.85 -1.83 0.20 114.93 115.39 2wdk h MET 33 Ca 0.00 -0.26 0.00 0.00 -0.61 0.00 0.00 59.70 58.83 2wdk h MET 33 Cb 0.00 0.07 0.00 0.00 0.43 0.00 0.00 31.60 32.10 2wdk h MET 33 CO 0.00 0.98 0.00 -1.91 -0.40 0.00 0.00 176.91 175.58 2wdk n GLU 34 N -3.68 0.23 -0.10 0.39 2.13 -1.26 -3.34 120.64 115.01 2wdk n GLU 34 Ca -0.04 0.24 -0.10 0.00 0.66 0.00 0.00 57.16 57.92 2wdk n GLU 34 Cb 0.81 -1.79 -0.16 0.00 0.27 0.00 0.00 31.44 30.57 2wdk n GLU 34 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2wdk n ARG 35 N -2.20 0.71 -3.57 5.31 1.74 -1.06 -4.84 116.66 112.76 2wdk n ARG 35 Ca 0.05 -0.01 -0.27 0.00 -0.77 0.00 0.00 57.85 56.85 2wdk n ARG 35 Cb 0.39 -1.52 -0.16 0.00 -1.02 0.00 0.00 32.46 30.15 2wdk n ARG 35 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2wdk s ARG 36 N -2.49 0.14 0.00 5.56 1.70 0.68 -5.03 118.95 119.52 2wdk s ARG 36 Ca -0.10 -0.33 0.16 0.00 -0.47 0.00 0.00 55.73 54.99 2wdk s ARG 36 Cb 0.06 -1.43 0.79 0.00 -0.57 0.00 0.00 34.95 33.80 2wdk s ARG 36 CO 0.82 -0.87 1.53 -0.35 -1.08 0.00 0.00 175.30 175.35 2wdk n PRO 37 N 5.26 1.25 -4.18 3.89 -0.04 -1.21 -4.23 135.00 135.75 2wdk n PRO 37 Ca -0.06 -0.38 -0.22 0.00 -0.04 0.00 0.00 63.50 62.79 2wdk n PRO 37 Cb 0.45 -1.27 -0.05 0.00 -0.04 0.00 0.00 33.50 32.59 2wdk n PRO 37 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2wdk s TYR 38 N -1.91 2.97 0.79 0.54 -0.85 -1.26 -4.87 117.35 112.76 2wdk s TYR 38 Ca 0.24 -0.15 -0.13 0.00 -0.52 0.00 0.00 57.07 56.52 2wdk s TYR 38 Cb 0.12 -1.33 0.07 0.00 0.38 0.00 0.00 41.96 41.20 2wdk s TYR 38 CO 0.19 0.55 1.15 -2.14 -1.52 0.00 0.00 175.55 173.79 2wdk s PRO 39 N -3.76 1.89 0.00 -3.49 0.02 -1.26 -4.47 135.00 123.93 2wdk s PRO 39 Ca 0.32 1.53 0.00 0.00 0.02 0.00 0.00 61.00 62.87 2wdk s PRO 39 Cb -0.07 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.62 2wdk s PRO 39 CO 0.23 -1.98 0.00 -0.35 -0.33 0.00 0.00 177.00 174.57 2wdk n PRO 40 N -3.32 2.84 -0.85 5.54 -0.04 -1.26 -3.95 135.00 133.96 2wdk n PRO 40 Ca 0.12 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.64 2wdk n PRO 40 Cb 0.52 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.95 2wdk n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wdk n GLY 41 N 0.00 -1.06 0.38 0.55 0.00 -1.26 -3.37 105.19 100.43 2wdk n GLY 41 Ca 0.00 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 2wdk n GLY 41 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2wdk h GLN 42 N -1.16 -0.43 0.00 1.61 4.15 -2.03 -3.33 115.11 113.92 2wdk h GLN 42 Ca -0.05 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.40 2wdk h GLN 42 Cb 0.85 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.64 2wdk h GLN 42 CO 0.02 -0.29 0.00 0.72 -1.93 0.00 0.00 178.83 177.35 2wdk n HIS 43 N -5.43 0.00 0.00 3.99 8.25 -1.26 -4.61 115.22 116.16 2wdk n HIS 43 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2wdk n HIS 43 Cb 0.35 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.46 2wdk n HIS 43 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wdk n GLY 44 N 0.57 0.41 3.56 -1.41 0.00 -1.22 -4.00 105.19 103.11 2wdk n GLY 44 Ca 0.00 0.26 -0.26 0.00 0.00 0.00 0.00 46.02 46.02 2wdk n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdk n GLN 45 N 0.00 1.30 -3.52 1.61 10.64 -1.25 -4.67 117.38 121.48 2wdk n GLN 45 Ca 0.00 -2.29 0.00 0.00 -1.83 0.00 0.00 57.00 52.88 2wdk n GLN 45 Cb 0.00 -3.73 -0.04 0.00 -0.86 0.00 0.00 30.24 25.61 2wdk n GLN 45 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 2wdk s LYS 46 N 6.81 0.45 -0.01 2.61 2.20 -1.26 -5.09 119.74 125.46 2wdk s LYS 46 Ca 0.70 1.13 -0.00 0.00 -0.36 0.00 0.00 55.97 57.44 2wdk s LYS 46 Cb -0.01 0.68 -0.00 0.00 -1.51 0.00 0.00 37.83 36.99 2wdk s LYS 46 CO 0.15 -0.17 0.02 -2.13 -0.36 0.00 0.00 175.35 172.85 2wdk n ARG 47 N 5.25 0.00 -1.55 4.03 0.63 -1.26 -4.85 116.66 118.91 2wdk n ARG 47 Ca -0.10 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.53 2wdk n ARG 47 Cb 0.51 -0.01 0.16 0.00 0.45 0.00 0.00 32.46 33.57 2wdk n ARG 47 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wdk s ALA 48 N 0.06 1.69 0.26 5.13 0.00 -1.26 -5.09 121.76 122.55 2wdk s ALA 48 Ca 0.01 -0.76 0.09 0.00 0.00 0.00 0.00 51.96 51.30 2wdk s ALA 48 Cb -0.01 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 2wdk s ALA 48 CO 0.00 -2.54 0.01 1.03 0.00 0.00 0.00 175.76 174.27 2wdk s ARG 49 N -5.45 2.35 -0.14 0.00 1.81 -1.26 -5.06 118.95 111.20 2wdk s ARG 49 Ca 0.67 -1.37 -0.29 0.00 -1.72 0.00 0.00 55.73 53.03 2wdk s ARG 49 Cb -0.11 -2.21 -0.06 0.00 -0.45 0.00 0.00 34.95 32.12 2wdk s ARG 49 CO 0.54 0.37 2.11 0.50 -0.68 0.00 0.00 175.30 178.14 2wdk s ARG 50 N -3.64 3.47 0.31 3.54 3.00 -1.26 -4.94 118.95 119.43 2wdk s ARG 50 Ca 0.31 2.19 -0.29 0.00 -1.00 0.00 0.00 55.73 56.94 2wdk s ARG 50 Cb -0.07 -4.29 -0.10 0.00 0.00 0.00 0.00 34.95 30.49 2wdk s ARG 50 CO 0.20 -1.72 1.26 -2.14 0.00 0.00 0.00 175.30 172.90 2wdk s PRO 51 N 5.70 4.43 0.80 5.12 0.02 -1.26 -5.01 135.00 144.79 2wdk s PRO 51 Ca 0.95 2.10 -0.11 0.00 0.02 0.00 0.00 61.00 63.97 2wdk s PRO 51 Cb -0.36 -3.11 0.07 0.00 0.02 0.00 0.00 34.50 31.12 2wdk s PRO 51 CO 0.37 -0.10 1.09 -1.54 -0.33 0.00 0.00 177.00 176.49 2wdk s SER 52 N -0.50 4.41 0.39 2.53 1.04 -1.26 -4.67 113.70 115.64 2wdk s SER 52 Ca 0.49 1.55 0.15 0.00 0.48 0.00 0.00 55.95 58.62 2wdk s SER 52 Cb -0.38 -2.29 1.01 0.00 0.10 0.00 0.00 66.02 64.47 2wdk s SER 52 CO 0.49 -2.06 1.83 0.44 0.98 0.00 0.00 173.24 174.92 2wdk h ASP 53 N -1.15 0.49 -0.21 7.02 5.19 -1.99 0.55 116.42 126.33 2wdk h ASP 53 Ca -0.46 0.06 -0.11 0.00 -0.62 0.00 0.00 57.03 55.90 2wdk h ASP 53 Cb 1.25 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.73 2wdk h ASP 53 CO 0.55 0.18 -0.30 0.22 -3.12 0.00 0.00 179.24 176.78 2wdk h TYR 54 N 0.48 0.70 -0.27 4.55 3.20 -1.99 -2.42 116.97 121.21 2wdk h TYR 54 Ca 0.51 -0.23 0.07 0.00 3.14 0.00 0.00 58.73 62.21 2wdk h TYR 54 Cb 1.15 -0.14 -0.08 0.00 1.54 0.00 0.00 36.73 39.21 2wdk h TYR 54 CO -0.00 0.95 -0.27 0.00 -1.64 0.00 0.00 178.16 177.20 2wdk h ALA 55 N 0.62 -0.16 0.10 1.82 0.00 -0.38 -0.15 119.26 121.11 2wdk h ALA 55 Ca 0.02 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2wdk h ALA 55 Cb 0.88 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 2wdk h ALA 55 CO 0.07 -0.69 -0.15 0.28 0.00 0.00 0.00 179.25 178.76 2wdk h VAL 56 N -0.26 0.00 -1.08 0.00 2.07 -0.62 -2.13 116.25 114.22 2wdk h VAL 56 Ca 0.14 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.96 2wdk h VAL 56 Cb 0.49 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.20 2wdk h VAL 56 CO -0.42 0.00 0.75 0.03 0.02 0.00 0.00 177.57 177.95 2wdk h ARG 57 N -0.27 0.14 0.51 1.57 3.08 -1.28 -1.92 114.38 116.22 2wdk h ARG 57 Ca -0.01 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 2wdk h ARG 57 Cb 0.24 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.27 2wdk h ARG 57 CO -0.04 0.09 -0.25 1.25 -1.07 0.00 0.00 179.97 179.95 2wdk h LEU 58 N 0.14 -0.59 -1.99 3.04 7.12 -0.73 -2.71 115.31 119.59 2wdk h LEU 58 Ca 0.55 0.02 0.20 0.00 0.13 0.00 0.00 57.88 58.78 2wdk h LEU 58 Cb 1.89 0.15 -0.03 0.00 -0.53 0.00 0.00 40.66 42.15 2wdk h LEU 58 CO -0.11 -0.22 0.52 0.03 -0.13 0.00 0.00 178.44 178.53 2wdk h ARG 59 N -1.09 0.00 0.07 1.25 2.47 -0.72 0.16 114.38 116.53 2wdk h ARG 59 Ca -0.07 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.65 2wdk h ARG 59 Cb 0.53 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.85 2wdk h ARG 59 CO 0.12 0.00 -0.03 1.49 0.56 0.00 0.00 179.97 182.10 2wdk h GLU 60 N 0.00 -0.09 -0.91 0.04 4.57 -1.42 -1.10 114.58 115.66 2wdk h GLU 60 Ca 0.33 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.55 2wdk h GLU 60 Cb 1.36 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.92 2wdk h GLU 60 CO -0.00 0.45 0.60 -0.22 -1.18 0.00 0.00 179.01 178.66 2wdk h LYS 61 N -0.73 1.12 -0.33 1.92 3.11 -0.82 -1.16 116.57 119.68 2wdk h LYS 61 Ca -0.01 -0.07 -0.01 0.00 -2.81 0.00 0.00 60.65 57.75 2wdk h LYS 61 Cb 0.58 -0.25 -0.02 0.00 -1.00 0.00 0.00 32.23 31.55 2wdk h LYS 61 CO 0.02 0.74 0.18 1.96 -2.81 0.00 0.00 179.45 179.53 2wdk h GLN 62 N 1.16 0.47 0.00 1.90 1.08 -0.74 -1.95 115.11 117.02 2wdk h GLN 62 Ca 0.36 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.50 2wdk h GLN 62 Cb -0.00 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.34 2wdk h GLN 62 CO -0.10 0.40 0.00 1.17 -0.95 0.00 0.00 178.83 179.35 2wdk n LYS 63 N -4.78 0.00 -0.36 1.46 4.81 -0.42 -0.14 118.16 118.73 2wdk n LYS 63 Ca -0.01 0.62 0.32 0.00 -0.87 0.00 0.00 58.31 58.36 2wdk n LYS 63 Cb 0.08 -1.37 0.58 0.00 0.02 0.00 0.00 35.03 34.35 2wdk n LYS 63 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2wdk h LEU 64 N 0.00 0.34 -0.05 3.14 5.85 -1.29 0.30 115.31 123.60 2wdk h LEU 64 Ca 0.00 0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 2wdk h LEU 64 Cb 0.00 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.23 2wdk h LEU 64 CO 0.00 -0.31 -0.14 -0.09 -0.34 0.00 0.00 178.44 177.57 2wdk h ARG 65 N 0.09 0.18 0.00 1.25 2.43 -0.86 -3.16 114.38 114.31 2wdk h ARG 65 Ca 0.82 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.86 2wdk h ARG 65 Cb 2.23 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 31.80 2wdk h ARG 65 CO -0.64 0.74 -0.01 0.00 -1.51 0.00 0.00 179.97 178.55 2wdk h ARG 66 N -0.36 0.00 0.12 0.20 3.08 0.30 -0.10 114.38 117.63 2wdk h ARG 66 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2wdk h ARG 66 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 2wdk h ARG 66 CO 0.03 0.01 -0.06 0.82 -1.07 0.00 0.00 179.97 179.70 2wdk h ILE 67 N 0.00 1.07 -0.01 2.04 2.04 -1.20 -2.82 117.51 118.63 2wdk h ILE 67 Ca -0.00 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 64.98 2wdk h ILE 67 Cb 0.05 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 2wdk h ILE 67 CO 0.00 0.21 0.00 -1.22 0.00 0.00 0.00 178.15 177.14 2wdk n TYR 68 N -4.97 0.01 -3.98 1.37 4.02 -1.00 -4.93 117.16 107.68 2wdk n TYR 68 Ca -0.09 -0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.39 2wdk n TYR 68 Cb 0.24 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.58 2wdk n TYR 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wdk n GLY 69 N 1.02 -0.95 3.31 2.72 0.00 -0.08 -4.96 105.19 106.24 2wdk n GLY 69 Ca 0.21 0.40 -0.27 0.00 0.00 0.00 0.00 46.02 46.36 2wdk n GLY 69 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2wdk s ILE 70 N -3.41 1.90 0.26 -0.61 2.07 -1.18 -4.70 121.20 115.54 2wdk s ILE 70 Ca 0.39 -1.43 -0.31 0.00 -1.41 0.00 0.00 60.65 57.90 2wdk s ILE 70 Cb -0.21 -1.67 -0.13 0.00 0.13 0.00 0.00 42.46 40.58 2wdk s ILE 70 CO 0.95 0.16 1.43 -1.54 -1.91 0.00 0.00 174.94 174.04 2wdk n SER 71 N 1.49 2.99 -0.01 4.50 3.41 -1.26 -4.77 113.62 119.97 2wdk n SER 71 Ca -0.18 1.15 0.23 0.00 -0.26 0.00 0.00 58.87 59.81 2wdk n SER 71 Cb 0.53 -1.47 0.72 0.00 -0.26 0.00 0.00 64.21 63.73 2wdk n SER 71 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2wdk h GLU 72 N 4.13 0.00 0.25 4.33 4.57 -1.99 0.51 114.58 126.38 2wdk h GLU 72 Ca -0.46 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.71 2wdk h GLU 72 Cb 1.27 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 2wdk h GLU 72 CO 0.75 0.00 -0.12 -0.09 -1.18 0.00 0.00 179.01 178.37 2wdk h ARG 73 N 0.00 -0.32 -0.93 1.92 9.65 -1.99 0.25 114.38 122.95 2wdk h ARG 73 Ca 0.27 0.02 0.23 0.00 -1.10 0.00 0.00 59.98 59.41 2wdk h ARG 73 Cb 1.25 0.07 -0.13 0.00 -1.39 0.00 0.00 29.97 29.78 2wdk h ARG 73 CO -0.00 -0.22 0.45 1.96 2.80 0.00 0.00 179.97 184.96 2wdk h GLN 74 N -0.52 0.43 0.77 0.20 4.20 -1.71 0.48 115.11 118.95 2wdk h GLN 74 Ca -0.03 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 2wdk h GLN 74 Cb 0.26 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 2wdk h GLN 74 CO 0.06 0.28 -0.48 0.35 -0.67 0.00 0.00 178.83 178.37 2wdk h PHE 75 N 0.44 -1.27 -0.51 2.96 3.57 -0.95 -1.73 116.94 119.45 2wdk h PHE 75 Ca 0.59 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 62.18 2wdk h PHE 75 Cb 1.13 0.45 -0.10 0.00 2.79 0.00 0.00 35.95 40.22 2wdk h PHE 75 CO -0.10 -0.71 -0.22 -0.09 -2.23 0.00 0.00 178.31 174.96 2wdk h ARG 76 N -1.17 -0.10 -0.03 1.11 9.65 0.11 -1.45 114.38 122.51 2wdk h ARG 76 Ca -0.10 0.01 0.03 0.00 -1.10 0.00 0.00 59.98 58.82 2wdk h ARG 76 Cb 0.93 0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 29.48 2wdk h ARG 76 CO 0.10 -0.06 -0.39 -0.91 2.80 0.00 0.00 179.97 181.51 2wdk h ASN 77 N -0.10 -1.19 -0.58 -3.80 2.35 -0.95 -1.55 115.58 109.76 2wdk h ASN 77 Ca 0.24 0.15 0.12 0.00 -0.55 0.00 0.00 56.30 56.26 2wdk h ASN 77 Cb 0.47 0.47 -0.11 0.00 0.05 0.00 0.00 38.32 39.21 2wdk h ASN 77 CO -0.58 -0.43 -0.13 -0.07 -1.65 0.00 0.00 177.43 174.57 2wdk h LEU 78 N -0.53 -0.50 -0.19 1.61 3.38 -0.48 -1.10 115.31 117.50 2wdk h LEU 78 Ca 0.06 0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.25 2wdk h LEU 78 Cb 0.62 0.35 -0.07 0.00 0.09 0.00 0.00 40.66 41.65 2wdk h LEU 78 CO -0.32 -0.18 -0.26 0.15 0.09 0.00 0.00 178.44 177.91 2wdk h PHE 79 N 0.01 -0.71 -0.22 1.13 3.57 -0.44 0.03 116.94 120.31 2wdk h PHE 79 Ca 0.28 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.88 2wdk h PHE 79 Cb 0.43 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 2wdk h PHE 79 CO -0.46 -0.34 0.17 0.93 -2.23 0.00 0.00 178.31 176.38 2wdk h GLU 80 N -0.30 0.00 -0.12 1.11 4.39 -0.33 -0.43 114.58 118.91 2wdk h GLU 80 Ca 0.12 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 2wdk h GLU 80 Cb 0.48 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2wdk h GLU 80 CO -0.36 0.00 0.01 1.49 -1.16 0.00 0.00 179.01 178.98 2wdk h GLU 81 N 0.00 0.21 -0.46 2.33 4.81 0.16 -2.18 114.58 119.45 2wdk h GLU 81 Ca 0.10 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 2wdk h GLU 81 Cb 0.44 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2wdk h GLU 81 CO -0.00 0.44 0.11 0.00 -0.73 0.00 0.00 179.01 178.82 2wdk h ALA 82 N 0.76 1.33 0.81 2.92 0.00 -0.45 0.51 119.26 125.14 2wdk h ALA 82 Ca 0.03 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2wdk h ALA 82 Cb 0.34 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2wdk h ALA 82 CO 0.01 0.47 -0.44 0.77 0.00 0.00 0.00 179.25 180.06 2wdk h SER 83 N 0.67 -1.08 0.47 0.00 0.02 -0.96 -2.72 113.55 109.95 2wdk h SER 83 Ca 0.15 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 2wdk h SER 83 Cb 0.26 0.30 -0.00 0.00 0.14 0.00 0.00 62.40 63.09 2wdk h SER 83 CO -0.00 -0.71 -0.15 0.11 -1.14 0.00 0.00 176.83 174.94 2wdk h LYS 84 N -1.15 0.00 -6.96 3.45 1.79 -1.27 -3.43 116.57 109.00 2wdk h LYS 84 Ca -0.11 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.86 2wdk h LYS 84 Cb 0.90 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.60 2wdk h LYS 84 CO 0.15 0.15 0.47 0.21 -1.08 0.00 0.00 179.45 179.35 2wdk s LYS 85 N -4.09 4.02 0.17 3.15 2.36 0.18 -4.99 119.74 120.54 2wdk s LYS 85 Ca -0.02 1.73 -0.29 0.00 -2.55 0.00 0.00 55.97 54.84 2wdk s LYS 85 Cb 0.13 -2.59 -0.07 0.00 -1.05 0.00 0.00 37.83 34.25 2wdk s LYS 85 CO 0.60 -0.32 0.92 0.21 1.55 0.00 0.00 175.35 178.31 2wdk s LYS 86 N -2.43 4.74 0.00 4.03 2.36 -1.26 -4.81 119.74 122.37 2wdk s LYS 86 Ca 0.59 1.41 0.00 0.00 -2.55 0.00 0.00 55.97 55.42 2wdk s LYS 86 Cb -0.28 -3.32 0.00 0.00 -1.05 0.00 0.00 37.83 33.18 2wdk s LYS 86 CO 0.35 0.39 0.00 0.41 1.55 0.00 0.00 175.35 178.04 2wdk n GLY 87 N 1.86 0.76 3.62 5.54 0.00 -1.26 -4.98 105.19 110.73 2wdk n GLY 87 Ca -0.01 -2.26 -0.43 0.00 0.00 0.00 0.00 46.02 43.33 2wdk n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdk s VAL 88 N -0.83 3.90 0.19 1.61 1.01 -1.26 -4.89 120.40 120.13 2wdk s VAL 88 Ca 0.00 0.99 -0.25 0.00 0.00 0.00 0.00 61.98 62.71 2wdk s VAL 88 Cb 0.00 -4.01 0.06 0.00 0.00 0.00 0.00 36.38 32.43 2wdk s VAL 88 CO 0.00 -0.50 1.54 0.41 0.00 0.00 0.00 175.10 176.55 2wdk n THR 89 N 6.61 -0.61 -0.08 3.92 -1.04 -1.26 -2.10 114.28 119.71 2wdk n THR 89 Ca 0.17 2.38 -0.07 0.00 -2.04 0.00 0.00 64.05 64.50 2wdk n THR 89 Cb 0.47 -3.03 -0.05 0.00 -1.82 0.00 0.00 70.33 65.90 2wdk n THR 89 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2wdk h GLY 90 N 0.00 -1.52 0.02 3.41 0.00 -1.90 -0.82 103.07 102.26 2wdk h GLY 90 Ca 0.24 0.80 0.00 0.00 0.00 0.00 0.00 47.33 48.37 2wdk h GLY 90 CO -0.96 -0.45 -0.12 1.76 0.00 0.00 0.00 176.54 176.77 2wdk h SER 91 N -0.18 -0.38 -0.92 0.19 0.02 -1.85 -2.86 113.55 107.58 2wdk h SER 91 Ca 0.04 0.04 0.21 0.00 -0.84 0.00 0.00 61.79 61.24 2wdk h SER 91 Cb 0.28 0.14 -0.17 0.00 0.14 0.00 0.00 62.40 62.79 2wdk h SER 91 CO -0.31 -0.13 -0.10 0.58 -1.14 0.00 0.00 176.83 175.73 2wdk h VAL 92 N -0.17 0.10 -0.37 2.27 2.07 -1.36 -1.35 116.25 117.44 2wdk h VAL 92 Ca 0.00 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.55 2wdk h VAL 92 Cb 0.17 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 29.98 2wdk h VAL 92 CO -0.07 0.00 -0.26 0.15 0.02 0.00 0.00 177.57 177.41 2wdk h PHE 93 N 0.02 -0.83 -0.60 1.57 -0.00 -0.91 0.92 116.94 117.11 2wdk h PHE 93 Ca 0.49 0.05 0.12 0.00 -0.00 0.00 0.00 57.97 58.63 2wdk h PHE 93 Cb 0.87 0.41 -0.11 0.00 -0.00 0.00 0.00 35.95 37.12 2wdk h PHE 93 CO -0.59 -0.18 -0.11 -0.07 -0.00 0.00 0.00 178.31 177.35 2wdk h LEU 94 N -0.05 -0.49 -0.91 0.59 3.38 -1.21 -0.09 115.31 116.53 2wdk h LEU 94 Ca 0.06 0.17 0.24 0.00 0.09 0.00 0.00 57.88 58.45 2wdk h LEU 94 Cb 0.21 0.35 -0.14 0.00 0.09 0.00 0.00 40.66 41.17 2wdk h LEU 94 CO -0.38 -0.18 0.37 1.23 0.09 0.00 0.00 178.44 179.57 2wdk h GLY 95 N 0.03 1.58 1.68 0.83 0.00 -0.41 0.65 103.07 107.41 2wdk h GLY 95 Ca 0.30 -0.13 -0.24 0.00 0.00 0.00 0.00 47.33 47.26 2wdk h GLY 95 CO -0.59 -0.34 -1.04 1.41 0.00 0.00 0.00 176.54 175.97 2wdk h LEU 96 N 0.32 0.38 -0.52 3.11 4.07 -0.25 -2.36 115.31 120.05 2wdk h LEU 96 Ca 0.59 -0.35 -0.00 0.00 0.08 0.00 0.00 57.88 58.20 2wdk h LEU 96 Cb 1.20 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.79 2wdk h LEU 96 CO -0.59 1.20 0.31 -0.07 -1.08 0.00 0.00 178.44 178.21 2wdk h LEU 97 N 0.12 0.62 -0.84 1.67 3.38 0.13 -2.47 115.31 117.91 2wdk h LEU 97 Ca -0.09 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2wdk h LEU 97 Cb 1.72 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 2wdk h LEU 97 CO 0.17 0.49 -0.18 -0.08 0.09 0.00 0.00 178.44 178.93 2wdk h GLU 98 N 0.69 0.00 0.00 1.13 4.57 0.09 -3.16 114.58 117.91 2wdk h GLU 98 Ca 0.19 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 2wdk h GLU 98 Cb -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 2wdk h GLU 98 CO -0.04 0.18 0.00 0.43 -1.18 0.00 0.00 179.01 178.40 2wdk n SER 99 N -3.25 0.00 -4.68 1.04 7.64 -0.89 -3.97 113.62 109.51 2wdk n SER 99 Ca 0.01 -0.15 -0.42 0.00 1.01 0.00 0.00 58.87 59.32 2wdk n SER 99 Cb 0.46 -0.23 -0.03 0.00 -1.01 0.00 0.00 64.21 63.40 2wdk n SER 99 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2wdk s ARG 100 N -2.47 4.19 0.45 1.43 0.52 -1.20 0.02 118.95 121.89 2wdk s ARG 100 Ca 0.23 2.29 0.30 0.00 -0.52 0.00 0.00 55.73 58.02 2wdk s ARG 100 Cb 0.15 -3.79 1.39 0.00 0.52 0.00 0.00 34.95 33.23 2wdk s ARG 100 CO 0.32 -0.78 1.66 1.25 0.02 0.00 0.00 175.30 177.76 2wdk h LEU 101 N 9.33 0.25 -0.45 2.53 5.85 -0.12 0.65 115.31 133.34 2wdk h LEU 101 Ca -0.42 0.11 -0.13 0.00 0.84 0.00 0.00 57.88 58.28 2wdk h LEU 101 Cb 1.19 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 2wdk h LEU 101 CO 0.94 -0.11 -0.61 -2.24 -0.34 0.00 0.00 178.44 176.08 2wdk h ASP 102 N 0.13 0.00 0.00 1.25 2.03 -1.82 -2.68 116.42 115.33 2wdk h ASP 102 Ca 0.77 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 57.07 2wdk h ASP 102 Cb 2.43 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.93 2wdk h ASP 102 CO -0.34 0.61 -0.00 -1.13 -1.03 0.00 0.00 179.24 177.34 2wdk h ASN 103 N 0.00 -0.00 -1.01 4.15 -1.24 -0.07 -3.03 115.58 114.38 2wdk h ASN 103 Ca -0.01 -0.81 0.25 0.00 0.71 0.00 0.00 56.30 56.45 2wdk h ASN 103 Cb 1.27 0.00 -0.12 0.00 0.73 0.00 0.00 38.32 40.19 2wdk h ASN 103 CO 0.08 0.81 0.60 0.58 -1.29 0.00 0.00 177.43 178.21 2wdk h VAL 104 N -0.82 0.53 -0.57 2.57 2.07 -1.11 0.21 116.25 119.12 2wdk h VAL 104 Ca -0.00 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 2wdk h VAL 104 Cb 0.81 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 2wdk h VAL 104 CO 0.00 0.10 0.20 0.58 0.02 0.00 0.00 177.57 178.47 2wdk h VAL 105 N 0.57 1.23 -0.35 2.57 2.07 -1.48 -1.31 116.25 119.55 2wdk h VAL 105 Ca 0.65 -0.77 -0.12 0.00 0.82 0.00 0.00 66.70 67.28 2wdk h VAL 105 Cb 1.24 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 2wdk h VAL 105 CO -0.47 0.29 -0.27 0.22 0.02 0.00 0.00 177.57 177.36 2wdk h TYR 106 N 0.80 0.82 -0.73 1.57 3.20 -0.58 -1.89 116.97 120.16 2wdk h TYR 106 Ca 0.19 -0.20 0.02 0.00 3.14 0.00 0.00 58.73 61.88 2wdk h TYR 106 Cb 0.25 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 2wdk h TYR 106 CO 0.01 0.91 0.47 0.00 -1.64 0.00 0.00 178.16 177.91 2wdk h ARG 107 N 0.62 0.89 -1.20 1.82 2.47 -0.49 -0.26 114.38 118.23 2wdk h ARG 107 Ca 0.08 -0.05 -0.24 0.00 -1.26 0.00 0.00 59.98 58.50 2wdk h ARG 107 Cb 0.77 -0.20 -0.13 0.00 -1.65 0.00 0.00 29.97 28.76 2wdk h ARG 107 CO 0.06 0.59 0.31 1.28 0.56 0.00 0.00 179.97 182.78 2wdk n LEU 108 N -4.63 5.20 -1.66 3.04 4.32 -0.53 -4.68 117.00 118.06 2wdk n LEU 108 Ca 0.08 -2.68 0.00 0.00 -0.02 0.00 0.00 56.01 53.39 2wdk n LEU 108 Cb 0.07 -0.79 0.00 0.00 -1.62 0.00 0.00 43.42 41.08 2wdk n LEU 108 CO 0.34 0.90 0.00 0.61 -1.22 0.00 0.00 177.39 178.02 2wdk n GLY 109 N 0.03 -0.29 0.00 -0.72 0.00 -0.11 -4.69 105.19 99.41 2wdk n GLY 109 Ca 0.26 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.36 2wdk n GLY 109 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wdk n PHE 110 N -1.46 0.00 -4.03 1.61 3.01 -0.72 -4.51 117.46 111.35 2wdk n PHE 110 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.32 2wdk n PHE 110 Cb 0.29 -0.50 -0.14 0.00 -0.01 0.00 0.00 39.48 39.12 2wdk n PHE 110 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wdk s ALA 111 N -3.00 0.25 0.33 4.37 0.00 -1.25 -4.78 121.76 117.69 2wdk s ALA 111 Ca 0.08 -0.17 0.02 0.00 0.00 0.00 0.00 51.96 51.89 2wdk s ALA 111 Cb 0.11 -0.05 0.61 0.00 0.00 0.00 0.00 23.12 23.79 2wdk s ALA 111 CO 0.30 0.05 1.97 -0.24 0.00 0.00 0.00 175.76 177.84 2wdk h VAL 112 N 5.03 1.12 -4.44 0.00 3.04 -1.93 -3.44 116.25 115.62 2wdk h VAL 112 Ca -0.27 -0.31 -0.21 0.00 -1.01 0.00 0.00 66.70 64.90 2wdk h VAL 112 Cb 1.20 0.12 -0.14 0.00 -2.01 0.00 0.00 31.29 30.46 2wdk h VAL 112 CO 0.50 0.17 -0.54 -0.94 -1.01 0.00 0.00 177.57 175.74 2wdk s SER 113 N -6.28 0.12 0.08 3.17 1.04 -1.26 -4.60 113.70 105.97 2wdk s SER 113 Ca -0.10 -1.32 -0.29 0.00 0.48 0.00 0.00 55.95 54.72 2wdk s SER 113 Cb 0.19 0.41 -0.17 0.00 0.10 0.00 0.00 66.02 66.55 2wdk s SER 113 CO 0.78 -0.88 1.67 0.03 0.98 0.00 0.00 173.24 175.81 2wdk h ARG 114 N 2.57 -0.55 -0.44 4.02 2.47 -1.87 0.27 114.38 120.85 2wdk h ARG 114 Ca -0.34 0.04 0.08 0.00 -1.26 0.00 0.00 59.98 58.49 2wdk h ARG 114 Cb 1.25 0.12 -0.10 0.00 -1.65 0.00 0.00 29.97 29.60 2wdk h ARG 114 CO 0.50 -0.36 -0.37 0.00 0.56 0.00 0.00 179.97 180.30 2wdk h ARG 115 N -0.57 -0.26 -0.88 0.04 2.47 -1.93 0.30 114.38 113.56 2wdk h ARG 115 Ca -0.05 0.02 0.01 0.00 -1.26 0.00 0.00 59.98 58.69 2wdk h ARG 115 Cb 0.44 0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 28.78 2wdk h ARG 115 CO 0.08 -0.17 0.58 0.37 0.56 0.00 0.00 179.97 181.39 2wdk h GLN 116 N -0.26 1.16 -0.55 0.04 4.15 -1.91 -2.66 115.11 115.08 2wdk h GLN 116 Ca 0.17 -0.07 0.11 0.00 0.77 0.00 0.00 58.65 59.63 2wdk h GLN 116 Cb 0.56 -0.26 -0.11 0.00 0.21 0.00 0.00 27.48 27.88 2wdk h GLN 116 CO -0.58 0.77 -0.17 0.00 -1.93 0.00 0.00 178.83 176.93 2wdk h ALA 117 N 1.32 0.31 -0.55 3.38 0.00 0.31 -0.59 119.26 123.44 2wdk h ALA 117 Ca 0.32 0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.54 2wdk h ALA 117 Cb -0.13 0.47 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 2wdk h ALA 117 CO -0.07 -0.47 0.09 -0.09 0.00 0.00 0.00 179.25 178.72 2wdk h ARG 118 N -0.03 0.22 0.32 0.00 2.43 -0.66 -2.77 114.38 113.89 2wdk h ARG 118 Ca 0.26 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 2wdk h ARG 118 Cb 0.43 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 2wdk h ARG 118 CO -0.58 0.14 -0.40 0.37 -1.51 0.00 0.00 179.97 177.99 2wdk h GLN 119 N 0.22 -0.72 -0.87 0.20 4.15 -1.08 0.08 115.11 117.09 2wdk h GLN 119 Ca 0.28 0.05 0.21 0.00 0.77 0.00 0.00 58.65 59.96 2wdk h GLN 119 Cb 0.41 0.16 -0.12 0.00 0.21 0.00 0.00 27.48 28.15 2wdk h GLN 119 CO -0.39 -0.48 0.36 -0.07 -1.93 0.00 0.00 178.83 176.33 2wdk h LEU 120 N -0.75 0.29 -0.49 -2.39 3.38 -1.36 0.29 115.31 114.28 2wdk h LEU 120 Ca -0.04 0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2wdk h LEU 120 Cb 0.67 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 2wdk h LEU 120 CO -0.09 0.00 0.16 0.58 0.09 0.00 0.00 178.44 179.17 2wdk h VAL 121 N 0.39 1.23 -0.08 1.22 2.07 -1.18 -2.20 116.25 117.69 2wdk h VAL 121 Ca 0.53 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2wdk h VAL 121 Cb 0.99 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2wdk h VAL 121 CO -0.52 0.27 0.05 -0.09 0.02 0.00 0.00 177.57 177.30 2wdk h ARG 122 N 0.65 0.10 -1.14 1.57 1.12 0.15 -2.49 114.38 114.35 2wdk h ARG 122 Ca 0.16 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.02 2wdk h ARG 122 Cb 0.26 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.20 2wdk h ARG 122 CO -0.01 0.06 0.00 0.72 -3.11 0.00 0.00 179.97 177.64 2wdk n HIS 123 N -5.04 0.00 -0.41 2.20 8.25 -0.06 -4.77 115.22 115.39 2wdk n HIS 123 Ca -0.05 -0.35 0.00 0.00 -0.26 0.00 0.00 57.72 57.05 2wdk n HIS 123 Cb 0.03 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 30.94 2wdk n HIS 123 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wdk n GLY 124 N 0.53 0.00 0.38 -1.41 0.00 -0.94 -4.74 105.19 99.01 2wdk n GLY 124 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 2wdk n GLY 124 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2wdk h HIS 125 N 0.00 0.82 -3.67 1.61 3.86 -1.60 -3.41 115.15 112.76 2wdk h HIS 125 Ca 0.00 0.03 -0.49 0.00 -1.16 0.00 0.00 60.37 58.74 2wdk h HIS 125 Cb 0.13 -0.25 0.04 0.00 1.06 0.00 0.00 27.41 28.39 2wdk h HIS 125 CO 0.08 0.21 0.15 0.42 0.86 0.00 0.00 177.93 179.66 2wdk s ILE 126 N -5.66 4.88 0.20 2.45 -1.09 -1.20 -0.00 121.20 120.78 2wdk s ILE 126 Ca -0.10 0.29 -0.11 0.00 -2.23 0.00 0.00 60.65 58.51 2wdk s ILE 126 Cb 0.24 -3.86 -0.00 0.00 -1.58 0.00 0.00 42.46 37.25 2wdk s ILE 126 CO 0.79 -0.88 0.38 0.28 -1.23 0.00 0.00 174.94 174.29 2wdk s THR 127 N -2.78 0.03 -0.02 2.92 -1.32 -1.15 -3.62 115.64 109.69 2wdk s THR 127 Ca 0.48 -1.37 0.00 0.00 -1.21 0.00 0.00 61.69 59.59 2wdk s THR 127 Cb -0.10 -2.01 0.02 0.00 -1.51 0.00 0.00 72.50 68.90 2wdk s THR 127 CO 0.46 -0.13 0.01 -0.69 -2.21 0.00 0.00 174.62 172.06 2wdk s VAL 128 N -3.99 0.06 -1.06 5.08 1.01 -0.56 -3.11 120.40 117.83 2wdk s VAL 128 Ca 0.20 0.12 -0.13 0.00 0.00 0.00 0.00 61.98 62.17 2wdk s VAL 128 Cb 0.01 -0.16 0.13 0.00 0.00 0.00 0.00 36.38 36.37 2wdk s VAL 128 CO 0.04 0.10 0.34 0.59 0.00 0.00 0.00 175.10 176.17 2wdk n ASN 129 N 4.00 -1.06 0.00 3.32 3.02 -0.72 -2.30 115.26 121.53 2wdk n ASN 129 Ca -0.25 -0.68 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 2wdk n ASN 129 Cb 0.51 -0.93 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 2wdk n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wdk n GLY 130 N -0.80 1.38 3.58 7.41 0.00 -1.26 -5.05 105.19 110.44 2wdk n GLY 130 Ca 0.07 -0.76 -0.56 0.00 0.00 0.00 0.00 46.02 44.77 2wdk n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdk n ARG 131 N 0.00 0.67 -2.58 1.61 3.00 -0.97 -4.85 116.66 113.54 2wdk n ARG 131 Ca 0.00 0.24 -0.43 0.00 -0.01 0.00 0.00 57.85 57.65 2wdk n ARG 131 Cb 0.00 -1.83 -0.02 0.00 0.00 0.00 0.00 32.46 30.61 2wdk n ARG 131 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 2wdk s ARG 132 N 0.69 4.07 -0.00 5.56 1.04 -1.26 -1.49 118.95 127.55 2wdk s ARG 132 Ca 0.89 1.18 -0.11 0.00 -1.04 0.00 0.00 55.73 56.65 2wdk s ARG 132 Cb -1.11 -3.76 -0.05 0.00 -2.04 0.00 0.00 34.95 27.99 2wdk s ARG 132 CO 0.54 -0.91 0.34 0.08 -0.04 0.00 0.00 175.30 175.31 2wdk s VAL 133 N 3.74 5.16 -0.08 4.99 1.01 -1.24 -4.93 120.40 129.07 2wdk s VAL 133 Ca 0.48 0.55 0.14 0.00 0.00 0.00 0.00 61.98 63.16 2wdk s VAL 133 Cb -0.14 -3.62 0.29 0.00 0.00 0.00 0.00 36.38 32.91 2wdk s VAL 133 CO 0.16 0.49 1.14 -0.90 0.00 0.00 0.00 175.10 175.99 2wdk n ASP 134 N 1.54 1.20 -4.22 3.32 3.85 -1.26 -4.53 116.55 116.46 2wdk n ASP 134 Ca -0.13 -2.69 -0.42 0.00 -0.71 0.00 0.00 54.79 50.84 2wdk n ASP 134 Cb 0.53 -0.36 -0.08 0.00 -1.35 0.00 0.00 41.12 39.86 2wdk n ASP 134 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 2wdk s LEU 135 N -1.38 5.81 0.31 -2.12 2.01 -1.26 -4.38 118.68 117.66 2wdk s LEU 135 Ca 0.26 -2.07 0.08 0.00 0.01 0.00 0.00 54.13 52.41 2wdk s LEU 135 Cb 0.26 -2.04 0.83 0.00 0.01 0.00 0.00 46.19 45.26 2wdk s LEU 135 CO -0.06 -0.67 1.74 -0.65 1.01 0.00 0.00 176.35 177.72 2wdk h PRO 136 N 8.30 0.59 0.00 1.29 0.11 -1.90 0.21 132.00 140.60 2wdk h PRO 136 Ca -0.17 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.86 2wdk h PRO 136 Cb 1.06 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 2wdk h PRO 136 CO 0.85 0.39 -0.20 0.66 -0.21 0.00 0.00 178.00 179.50 2wdk h SER 137 N 0.61 0.00 -0.92 -2.05 4.64 -1.96 -3.19 113.55 110.68 2wdk h SER 137 Ca 0.62 0.00 -0.78 0.00 -0.47 0.00 0.00 61.79 61.15 2wdk h SER 137 Cb 1.12 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.23 2wdk h SER 137 CO -0.46 0.20 0.43 0.00 -0.87 0.00 0.00 176.83 176.13 2wdk n TYR 138 N -3.59 1.25 -3.32 4.77 -0.00 0.75 -4.56 117.16 112.45 2wdk n TYR 138 Ca -0.01 1.03 -0.42 0.00 -0.00 0.00 0.00 57.90 58.51 2wdk n TYR 138 Cb 0.34 -2.02 -0.09 0.00 -0.00 0.00 0.00 39.34 37.57 2wdk n TYR 138 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 2wdk s ARG 139 N 1.76 3.41 0.13 2.98 0.52 -1.26 0.33 118.95 126.81 2wdk s ARG 139 Ca 0.92 -0.46 -0.30 0.00 -0.52 0.00 0.00 55.73 55.37 2wdk s ARG 139 Cb -1.31 -3.87 -0.07 0.00 0.52 0.00 0.00 34.95 30.23 2wdk s ARG 139 CO 0.67 -0.69 1.14 0.08 0.02 0.00 0.00 175.30 176.52 2wdk s VAL 140 N 2.19 3.96 0.51 3.52 1.01 0.10 -4.96 120.40 126.74 2wdk s VAL 140 Ca 0.14 1.56 0.08 0.00 0.00 0.00 0.00 61.98 63.76 2wdk s VAL 140 Cb -0.16 -4.00 0.04 0.00 0.00 0.00 0.00 36.38 32.26 2wdk s VAL 140 CO 0.13 0.21 0.61 -0.13 0.00 0.00 0.00 175.10 175.91 2wdk s ARG 141 N 0.24 2.45 0.22 2.72 0.52 -1.26 -4.81 118.95 119.03 2wdk s ARG 141 Ca 0.53 -1.61 -0.30 0.00 -0.52 0.00 0.00 55.73 53.83 2wdk s ARG 141 Cb -0.29 -2.53 -0.10 0.00 0.52 0.00 0.00 34.95 32.55 2wdk s ARG 141 CO 0.33 -0.58 1.49 -2.14 0.02 0.00 0.00 175.30 174.41 2wdk s PRO 142 N -4.44 4.24 0.00 3.54 0.02 -1.26 -3.46 135.00 133.64 2wdk s PRO 142 Ca 0.53 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.88 2wdk s PRO 142 Cb -0.06 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.34 2wdk s PRO 142 CO 0.33 -0.49 0.00 0.41 -0.33 0.00 0.00 177.00 176.92 2wdk n GLY 143 N 2.68 1.16 3.64 0.52 0.00 0.18 -5.03 105.19 108.35 2wdk n GLY 143 Ca 0.09 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 2wdk n GLY 143 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wdk s ASP 144 N -2.50 4.87 -0.27 1.61 1.11 -1.22 -4.92 116.67 115.35 2wdk s ASP 144 Ca 0.00 -0.10 -0.10 0.00 0.18 0.00 0.00 52.55 52.54 2wdk s ASP 144 Cb 0.00 -1.19 -0.04 0.00 1.07 0.00 0.00 42.92 42.75 2wdk s ASP 144 CO 0.00 0.27 0.14 -1.61 1.18 0.00 0.00 175.17 175.15 2wdk s GLU 145 N -1.61 3.84 -0.74 8.23 2.02 -1.26 -1.23 118.70 127.94 2wdk s GLU 145 Ca 0.19 -0.38 0.01 0.00 0.02 0.00 0.00 54.97 54.81 2wdk s GLU 145 Cb -0.11 -3.53 0.18 0.00 0.10 0.00 0.00 34.13 30.77 2wdk s GLU 145 CO 0.10 -0.18 0.57 0.42 0.02 0.00 0.00 175.26 176.19 2wdk s ILE 146 N 1.68 3.60 0.00 -1.63 1.09 -0.44 -1.75 121.20 123.75 2wdk s ILE 146 Ca 0.07 -3.75 0.00 0.00 -1.10 0.00 0.00 60.65 55.87 2wdk s ILE 146 Cb -0.16 -3.31 0.00 0.00 -1.06 0.00 0.00 42.46 37.93 2wdk s ILE 146 CO 0.08 -0.99 0.00 0.00 -0.10 0.00 0.00 174.94 173.93 2wdk n ALA 147 N 2.54 0.00 -2.59 9.38 0.00 -1.18 -2.91 120.51 125.74 2wdk n ALA 147 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.31 2wdk n ALA 147 Cb 0.36 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.72 2wdk n ALA 147 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wdk s VAL 148 N 0.91 3.46 0.65 0.00 1.01 -0.93 -2.93 120.40 122.58 2wdk s VAL 148 Ca 0.00 -1.25 -0.11 0.00 0.00 0.00 0.00 61.98 60.62 2wdk s VAL 148 Cb 0.00 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 2wdk s VAL 148 CO 0.00 0.10 1.04 0.00 0.00 0.00 0.00 175.10 176.24 2wdk s ALA 149 N -1.26 2.88 0.04 5.51 0.00 0.99 -4.83 121.76 125.10 2wdk s ALA 149 Ca 0.22 0.01 -0.17 0.00 0.00 0.00 0.00 51.96 52.03 2wdk s ALA 149 Cb -0.11 -3.13 -0.08 0.00 0.00 0.00 0.00 23.12 19.80 2wdk s ALA 149 CO 0.15 -0.95 1.27 1.05 0.00 0.00 0.00 175.76 177.27 2wdk h GLU 150 N -0.48 -0.45 0.00 0.00 9.09 -1.97 -2.07 114.58 118.71 2wdk h GLU 150 Ca -0.44 0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.00 2wdk h GLU 150 Cb 1.20 0.10 0.00 0.00 -1.65 0.00 0.00 28.75 28.40 2wdk h GLU 150 CO 0.59 -0.30 0.47 -0.22 0.05 0.00 0.00 179.01 179.60 2wdk h LYS 151 N -0.47 0.00 0.00 1.06 3.64 -1.96 0.45 116.57 119.29 2wdk h LYS 151 Ca -0.03 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.22 2wdk h LYS 151 Cb 0.41 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 2wdk h LYS 151 CO -0.05 0.00 -1.72 0.43 -2.27 0.00 0.00 179.45 175.84 2wdk n SER 152 N -2.20 0.43 0.00 4.20 7.64 -0.84 -4.20 113.62 118.65 2wdk n SER 152 Ca -0.01 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.05 2wdk n SER 152 Cb 0.49 0.93 0.00 0.00 -1.01 0.00 0.00 64.21 64.61 2wdk n SER 152 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2wdk n ARG 153 N -2.64 0.00 0.00 1.43 1.74 0.16 -2.45 116.66 114.90 2wdk n ARG 153 Ca -0.11 0.28 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2wdk n ARG 153 Cb 0.78 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 2wdk n ARG 153 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wdk n ASN 154 N -1.25 0.00 0.00 0.55 3.02 -1.26 -4.92 115.26 111.40 2wdk n ASN 154 Ca 0.00 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 2wdk n ASN 154 Cb 0.07 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 2wdk n ASN 154 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2wdk n LEU 155 N -2.31 0.00 -0.32 3.41 4.77 -1.03 -4.65 117.00 116.88 2wdk n LEU 155 Ca 0.00 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.16 2wdk n LEU 155 Cb 0.00 0.00 0.38 0.00 -2.33 0.00 0.00 43.42 41.47 2wdk n LEU 155 CO 0.00 0.00 1.00 -0.33 -1.33 0.00 0.00 177.39 176.73 2wdk h GLU 156 N 0.00 0.21 0.08 3.23 5.08 -1.94 -2.69 114.58 118.55 2wdk h GLU 156 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2wdk h GLU 156 Cb 0.00 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2wdk h GLU 156 CO 0.00 0.14 -0.21 1.25 -1.00 0.00 0.00 179.01 179.18 2wdk h LEU 157 N 0.22 -0.63 -1.58 1.33 5.85 -1.95 -1.29 115.31 117.25 2wdk h LEU 157 Ca 0.64 0.06 0.40 0.00 0.84 0.00 0.00 57.88 59.83 2wdk h LEU 157 Cb 1.41 0.23 -0.10 0.00 0.37 0.00 0.00 40.66 42.57 2wdk h LEU 157 CO -0.67 -0.24 0.89 0.40 -0.34 0.00 0.00 178.44 178.48 2wdk h ILE 158 N -0.33 0.25 0.20 4.05 1.08 -1.79 -0.92 117.51 120.04 2wdk h ILE 158 Ca -0.01 -0.04 -0.01 0.00 -0.39 0.00 0.00 64.86 64.41 2wdk h ILE 158 Cb 0.32 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.18 2wdk h ILE 158 CO -0.10 0.02 -0.10 0.03 -0.69 0.00 0.00 178.15 177.32 2wdk h ARG 159 N 0.13 -0.26 -0.52 2.37 2.47 -1.20 0.25 114.38 117.62 2wdk h ARG 159 Ca 0.74 0.02 0.10 0.00 -1.26 0.00 0.00 59.98 59.58 2wdk h ARG 159 Cb 2.45 0.06 -0.10 0.00 -1.65 0.00 0.00 29.97 30.72 2wdk h ARG 159 CO -0.26 -0.17 -0.19 1.96 0.56 0.00 0.00 179.97 181.86 2wdk h GLN 160 N -0.27 -0.07 -0.74 0.04 4.20 -0.63 0.53 115.11 118.16 2wdk h GLN 160 Ca -0.03 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.74 2wdk h GLN 160 Cb 0.20 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.94 2wdk h GLN 160 CO 0.04 -0.05 0.44 -0.91 -0.67 0.00 0.00 178.83 177.69 2wdk h ASN 161 N -0.07 0.68 0.01 1.46 4.21 -1.25 -2.27 115.58 118.34 2wdk h ASN 161 Ca 0.24 0.02 -0.19 0.00 1.21 0.00 0.00 56.30 57.58 2wdk h ASN 161 Cb 0.45 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.53 2wdk h ASN 161 CO -0.57 0.44 -0.69 -0.07 -1.29 0.00 0.00 177.43 175.26 2wdk h LEU 162 N 0.82 0.73 -0.21 1.61 3.38 0.35 -3.30 115.31 118.69 2wdk h LEU 162 Ca 0.32 -0.45 0.05 0.00 0.09 0.00 0.00 57.88 57.89 2wdk h LEU 162 Cb 0.16 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.62 2wdk h LEU 162 CO -0.17 1.21 -0.44 -0.08 0.09 0.00 0.00 178.44 179.06 2wdk h GLU 163 N 0.45 -0.44 0.00 1.13 4.57 0.59 0.19 114.58 121.07 2wdk h GLU 163 Ca -0.02 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2wdk h GLU 163 Cb 1.28 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.97 2wdk h GLU 163 CO 0.13 -0.29 0.12 0.00 -1.18 0.00 0.00 179.01 177.79 2wdk n ALA 164 N -2.98 0.85 0.85 2.92 0.00 -1.10 -0.17 120.51 120.89 2wdk n ALA 164 Ca -0.03 0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.67 2wdk n ALA 164 Cb 0.36 -1.02 0.45 0.00 0.00 0.00 0.00 19.45 19.24 2wdk n ALA 164 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2wdk n MET 165 N -1.99 0.10 -2.63 0.00 2.81 0.67 -4.34 117.12 111.75 2wdk n MET 165 Ca -0.01 0.07 -0.43 0.00 -1.81 0.00 0.00 57.70 55.52 2wdk n MET 165 Cb 0.14 -1.60 -0.02 0.00 -0.71 0.00 0.00 33.22 31.03 2wdk n MET 165 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2wdk s LYS 166 N -3.05 4.25 0.00 0.03 2.20 0.76 -2.67 119.74 121.27 2wdk s LYS 166 Ca 0.12 1.39 0.00 0.00 -0.36 0.00 0.00 55.97 57.12 2wdk s LYS 166 Cb 0.16 -3.66 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 2wdk s LYS 166 CO 0.60 -0.66 0.00 0.41 -0.36 0.00 0.00 175.35 175.34 2wdk n GLY 167 N 3.39 3.35 3.93 5.54 0.00 -1.26 -5.05 105.19 115.09 2wdk n GLY 167 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 2wdk n GLY 167 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wdk s ARG 168 N -0.99 2.91 -0.06 1.61 3.52 -1.09 -5.10 118.95 119.75 2wdk s ARG 168 Ca 0.00 -0.25 0.04 0.00 -0.13 0.00 0.00 55.73 55.39 2wdk s ARG 168 Cb 0.00 -2.39 -0.00 0.00 -1.56 0.00 0.00 34.95 31.00 2wdk s ARG 168 CO 0.00 -0.57 -0.18 0.15 -0.81 0.00 0.00 175.30 173.89 2wdk s LYS 169 N -4.83 2.02 0.73 5.12 1.02 -1.26 -5.02 119.74 117.52 2wdk s LYS 169 Ca 0.52 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 55.88 2wdk s LYS 169 Cb -0.10 -1.69 0.14 0.00 -0.52 0.00 0.00 37.83 35.66 2wdk s LYS 169 CO 0.42 0.20 1.00 0.54 -0.92 0.00 0.00 175.35 176.59 2wdk s VAL 170 N 0.19 2.05 0.43 3.17 0.11 -1.26 -5.04 120.40 120.05 2wdk s VAL 170 Ca -0.08 -0.65 -0.24 0.00 -2.93 0.00 0.00 61.98 58.08 2wdk s VAL 170 Cb -0.13 -2.41 -0.10 0.00 -1.53 0.00 0.00 36.38 32.21 2wdk s VAL 170 CO 0.04 0.00 1.07 0.61 -3.33 0.00 0.00 175.10 173.49 2wdk n GLY 171 N -2.83 -0.03 0.00 6.54 0.00 -1.26 -4.84 105.19 102.77 2wdk n GLY 171 Ca 0.16 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.32 2wdk n GLY 171 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wdk n PRO 172 N 0.03 0.00 0.00 1.61 -0.02 -1.26 -0.58 135.00 134.78 2wdk n PRO 172 Ca 0.09 0.20 0.01 0.00 -2.02 0.00 0.00 63.50 61.78 2wdk n PRO 172 Cb 0.40 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 2wdk n PRO 172 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 2wdk n TRP 173 N -1.19 0.00 -4.39 6.00 2.14 -1.26 -5.01 117.44 113.73 2wdk n TRP 173 Ca 0.00 0.00 -0.28 0.00 2.07 0.00 0.00 57.50 59.29 2wdk n TRP 173 Cb 0.01 0.00 -0.12 0.00 -0.81 0.00 0.00 31.31 30.39 2wdk n TRP 173 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 2wdk s LEU 174 N -0.67 2.37 0.02 5.67 1.43 0.25 -1.05 118.68 126.70 2wdk s LEU 174 Ca 0.01 -0.80 0.03 0.00 -1.03 0.00 0.00 54.13 52.34 2wdk s LEU 174 Cb 0.01 -1.16 -0.02 0.00 0.03 0.00 0.00 46.19 45.05 2wdk s LEU 174 CO 0.03 0.14 -0.09 -0.94 0.23 0.00 0.00 176.35 175.72 2wdk s SER 175 N -2.32 1.01 0.03 2.29 1.04 -0.87 -4.43 113.70 110.45 2wdk s SER 175 Ca 0.16 -0.35 0.07 0.00 0.48 0.00 0.00 55.95 56.32 2wdk s SER 175 Cb -0.09 -0.05 -0.02 0.00 0.10 0.00 0.00 66.02 65.96 2wdk s SER 175 CO 0.07 -0.03 -0.21 -0.22 0.98 0.00 0.00 173.24 173.84 2wdk s LEU 176 N -0.88 2.14 -0.59 2.42 2.96 -1.26 -0.23 118.68 123.24 2wdk s LEU 176 Ca -0.02 -0.50 0.06 0.00 -0.22 0.00 0.00 54.13 53.45 2wdk s LEU 176 Cb -0.06 -1.01 0.30 0.00 0.50 0.00 0.00 46.19 45.92 2wdk s LEU 176 CO 0.00 0.18 0.85 -0.67 -1.32 0.00 0.00 176.35 175.40 2wdk n ASP 177 N 1.99 3.96 -0.27 3.68 -0.08 -1.04 -4.94 116.55 119.85 2wdk n ASP 177 Ca -0.17 -3.54 0.25 0.00 -1.51 0.00 0.00 54.79 49.82 2wdk n ASP 177 Cb 0.53 -0.61 0.45 0.00 2.34 0.00 0.00 41.12 43.83 2wdk n ASP 177 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2wdk n VAL 178 N 0.26 -0.27 -0.06 5.18 0.31 -1.26 -0.19 118.33 122.29 2wdk n VAL 178 Ca 0.30 1.44 -0.12 0.00 -0.01 0.00 0.00 64.34 65.95 2wdk n VAL 178 Cb 0.41 -2.35 -0.06 0.00 -0.91 0.00 0.00 33.84 30.93 2wdk n VAL 178 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2wdk h GLU 179 N 0.00 0.37 -0.18 5.55 5.08 -1.96 -3.12 114.58 120.32 2wdk h GLU 179 Ca 0.63 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 2wdk h GLU 179 Cb 1.77 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.01 2wdk h GLU 179 CO -0.50 0.65 0.00 0.41 -1.00 0.00 0.00 179.01 178.57 2wdk n GLY 180 N -0.07 0.22 3.58 -3.84 0.00 0.74 -4.95 105.19 100.87 2wdk n GLY 180 Ca -0.05 -0.39 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 2wdk n GLY 180 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2wdk n MET 181 N 0.26 -1.44 -3.31 1.61 2.81 -0.53 -4.77 117.12 111.74 2wdk n MET 181 Ca 0.15 0.57 0.03 0.00 -1.81 0.00 0.00 57.70 56.63 2wdk n MET 181 Cb 0.30 -4.50 -0.03 0.00 -0.71 0.00 0.00 33.22 28.28 2wdk n MET 181 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2wdk s LYS 182 N -5.57 0.35 0.56 0.03 -2.85 -1.22 -2.18 119.74 108.86 2wdk s LYS 182 Ca 0.46 0.76 0.07 0.00 -1.00 0.00 0.00 55.97 56.27 2wdk s LYS 182 Cb -0.14 0.44 0.07 0.00 -2.06 0.00 0.00 37.83 36.15 2wdk s LYS 182 CO 0.83 -0.24 0.77 0.20 0.10 0.00 0.00 175.35 177.02 2wdk s GLY 183 N 2.72 1.78 0.05 0.59 0.00 -1.15 -2.51 107.32 108.81 2wdk s GLY 183 Ca 0.02 -1.95 0.05 0.00 0.00 0.00 0.00 44.72 42.84 2wdk s GLY 183 CO -0.17 -1.54 -0.15 0.54 0.00 0.00 0.00 173.10 171.78 2wdk s LYS 184 N -4.67 0.94 -0.70 2.90 1.02 0.68 -1.33 119.74 118.58 2wdk s LYS 184 Ca 0.61 -0.83 -0.18 0.00 0.02 0.00 0.00 55.97 55.58 2wdk s LYS 184 Cb -0.07 -0.97 0.12 0.00 -0.52 0.00 0.00 37.83 36.40 2wdk s LYS 184 CO 0.38 0.23 0.82 0.12 -0.92 0.00 0.00 175.35 175.98 2wdk s PHE 185 N -0.96 3.10 0.05 3.18 5.36 -0.37 -2.05 117.98 126.30 2wdk s PHE 185 Ca 0.01 -1.16 -0.23 0.00 -0.96 0.00 0.00 56.93 54.60 2wdk s PHE 185 Cb -0.08 -4.06 -0.14 0.00 -0.34 0.00 0.00 43.02 38.39 2wdk s PHE 185 CO 0.02 -1.32 1.53 -0.07 -1.46 0.00 0.00 175.22 173.91 2wdk h LEU 186 N 9.86 0.12 -7.81 6.12 3.38 -1.43 0.51 115.31 126.07 2wdk h LEU 186 Ca -0.15 -0.24 0.28 0.00 0.09 0.00 0.00 57.88 57.86 2wdk h LEU 186 Cb 1.07 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.72 2wdk h LEU 186 CO 1.06 0.33 0.77 0.00 0.09 0.00 0.00 178.44 180.70 2wdk s ARG 187 N -5.24 0.70 -0.03 1.13 1.70 -1.19 -4.43 118.95 111.60 2wdk s ARG 187 Ca -0.14 -0.44 -0.30 0.00 -0.47 0.00 0.00 55.73 54.38 2wdk s ARG 187 Cb 0.05 0.20 -0.04 0.00 -0.57 0.00 0.00 34.95 34.59 2wdk s ARG 187 CO 0.69 -0.33 1.31 -0.51 -1.08 0.00 0.00 175.30 175.38 2wdk s LEU 188 N -3.49 4.29 0.03 -1.89 1.43 -1.26 -4.86 118.68 112.93 2wdk s LEU 188 Ca 0.23 1.97 -0.36 0.00 -1.03 0.00 0.00 54.13 54.94 2wdk s LEU 188 Cb -0.00 -3.56 -0.15 0.00 0.03 0.00 0.00 46.19 42.51 2wdk s LEU 188 CO 0.01 -0.66 1.57 -0.81 0.23 0.00 0.00 176.35 176.69 2wdk n PRO 189 N 5.34 1.65 -2.10 1.29 -0.04 -1.26 -4.92 135.00 134.97 2wdk n PRO 189 Ca 0.12 0.60 -0.38 0.00 -0.04 0.00 0.00 63.50 63.80 2wdk n PRO 189 Cb 0.45 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 2wdk n PRO 189 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2wdk s ASP 190 N 1.69 6.09 0.52 3.54 2.15 -1.26 -4.79 116.67 124.61 2wdk s ASP 190 Ca 0.86 2.53 0.33 0.00 0.43 0.00 0.00 52.55 56.70 2wdk s ASP 190 Cb -0.84 -2.62 1.47 0.00 -0.30 0.00 0.00 42.92 40.63 2wdk s ASP 190 CO 0.48 -0.99 1.80 -0.09 -0.17 0.00 0.00 175.17 176.19 2wdk h ARG 191 N 2.24 0.07 -0.70 4.34 9.65 -1.92 0.21 114.38 128.27 2wdk h ARG 191 Ca -0.50 -0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.31 2wdk h ARG 191 Cb 1.26 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.79 2wdk h ARG 191 CO 0.61 0.04 0.16 1.49 2.80 0.00 0.00 179.97 185.07 2wdk h GLU 192 N 0.07 1.12 0.00 0.20 4.57 -2.01 -2.80 114.58 115.72 2wdk h GLU 192 Ca 0.57 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 58.48 2wdk h GLU 192 Cb 2.14 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 30.59 2wdk h GLU 192 CO -0.07 0.99 0.00 -0.25 -1.18 0.00 0.00 179.01 178.50 2wdk n ASP 193 N -4.23 0.00 -4.62 1.04 8.00 0.75 -4.68 116.55 112.81 2wdk n ASP 193 Ca 0.05 -0.17 -0.34 0.00 0.71 0.00 0.00 54.79 55.04 2wdk n ASP 193 Cb 0.26 -0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 41.20 2wdk n ASP 193 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2wdk s LEU 194 N -2.12 3.32 0.00 0.64 2.01 -1.06 -4.92 118.68 116.54 2wdk s LEU 194 Ca 0.12 0.02 0.00 0.00 0.01 0.00 0.00 54.13 54.27 2wdk s LEU 194 Cb 0.06 -1.77 0.00 0.00 0.01 0.00 0.00 46.19 44.49 2wdk s LEU 194 CO 0.11 0.35 0.80 0.00 1.01 0.00 0.00 176.35 178.62 2wdk n ALA 195 N 2.06 2.00 -1.54 4.21 0.00 -1.26 -5.05 120.51 120.93 2wdk n ALA 195 Ca -0.18 -0.80 -0.47 0.00 0.00 0.00 0.00 53.44 52.00 2wdk n ALA 195 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 2wdk n ALA 195 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wdk n LEU 196 N -0.31 1.02 -1.84 0.00 4.32 -1.26 -4.78 117.00 114.14 2wdk n LEU 196 Ca 0.00 1.16 -0.02 0.00 -0.02 0.00 0.00 56.01 57.12 2wdk n LEU 196 Cb 0.20 -1.18 -0.03 0.00 -1.62 0.00 0.00 43.42 40.78 2wdk n LEU 196 CO 0.00 -1.72 0.81 -0.81 -1.22 0.00 0.00 177.39 174.45 2wdk n PRO 197 N 1.12 0.82 -4.80 3.23 -0.04 -1.26 -4.81 135.00 129.26 2wdk n PRO 197 Ca 0.13 -0.20 -0.27 0.00 -0.04 0.00 0.00 63.50 63.13 2wdk n PRO 197 Cb 0.27 -1.38 -0.17 0.00 -0.04 0.00 0.00 33.50 32.19 2wdk n PRO 197 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2wdk s VAL 198 N 1.06 1.44 -0.83 0.52 1.01 -1.26 -4.99 120.40 117.35 2wdk s VAL 198 Ca 0.13 -0.66 -0.25 0.00 0.00 0.00 0.00 61.98 61.20 2wdk s VAL 198 Cb 0.06 -1.28 0.05 0.00 0.00 0.00 0.00 36.38 35.21 2wdk s VAL 198 CO 0.00 0.42 1.29 0.21 0.00 0.00 0.00 175.10 177.02 2wdk s ASN 199 N 0.49 6.30 0.43 3.32 3.84 -1.26 -4.84 114.94 123.22 2wdk s ASN 199 Ca -0.15 -0.93 0.27 0.00 0.21 0.00 0.00 52.86 52.26 2wdk s ASN 199 Cb -0.16 -2.54 1.32 0.00 -0.55 0.00 0.00 41.25 39.32 2wdk s ASN 199 CO 0.05 -1.64 1.69 1.05 -2.79 0.00 0.00 177.10 175.46 2wdk h GLU 200 N 9.83 0.19 0.00 0.43 4.11 -1.96 -0.75 114.58 126.43 2wdk h GLU 200 Ca -0.10 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.29 2wdk h GLU 200 Cb 1.04 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 2wdk h GLU 200 CO 1.30 0.12 -0.13 1.96 0.07 0.00 0.00 179.01 182.34 2wdk h GLN 201 N 0.19 0.00 0.07 1.06 1.08 -1.96 -3.09 115.11 112.46 2wdk h GLN 201 Ca 0.72 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 57.67 2wdk h GLN 201 Cb 2.17 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 29.60 2wdk h GLN 201 CO -0.34 0.13 -1.10 -0.07 -0.95 0.00 0.00 178.83 176.50 2wdk h LEU 202 N 0.00 0.37 -1.02 1.46 3.38 -1.53 -2.54 115.31 115.44 2wdk h LEU 202 Ca -0.00 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.53 2wdk h LEU 202 Cb 0.32 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2wdk h LEU 202 CO 0.02 1.24 -0.13 0.58 0.09 0.00 0.00 178.44 180.23 2wdk h VAL 203 N 0.10 1.24 0.71 1.22 2.07 -1.64 0.15 116.25 120.10 2wdk h VAL 203 Ca -0.10 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.31 2wdk h VAL 203 Cb 1.80 1.14 0.01 0.00 -1.52 0.00 0.00 31.29 32.72 2wdk h VAL 203 CO 0.18 0.35 -0.34 0.40 0.02 0.00 0.00 177.57 178.18 2wdk h ILE 204 N 0.51 0.27 -0.19 4.57 1.08 -1.53 -2.39 117.51 119.82 2wdk h ILE 204 Ca 0.09 -0.10 0.06 0.00 -0.39 0.00 0.00 64.86 64.52 2wdk h ILE 204 Cb 0.53 0.30 -0.01 0.00 -3.07 0.00 0.00 36.82 34.57 2wdk h ILE 204 CO 0.03 0.01 0.14 -0.33 -0.69 0.00 0.00 178.15 177.32 2wdk h GLU 205 N -1.02 0.00 -0.62 2.37 5.08 -1.25 -1.44 114.58 117.70 2wdk h GLU 205 Ca -0.10 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 2wdk h GLU 205 Cb 0.75 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 2wdk h GLU 205 CO 0.16 0.00 0.19 0.35 -1.00 0.00 0.00 179.01 178.71 2wdk h PHE 206 N 0.00 0.99 -0.01 4.33 3.57 -0.28 -2.58 116.94 122.96 2wdk h PHE 206 Ca 0.09 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2wdk h PHE 206 Cb 0.37 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.83 2wdk h PHE 206 CO 0.00 0.82 0.00 0.66 -2.23 0.00 0.00 178.31 177.56 2wdk n TYR 207 N -4.38 0.02 -0.48 0.41 0.53 -0.55 -1.53 117.16 111.18 2wdk n TYR 207 Ca 0.04 -0.01 0.09 0.00 -1.02 0.00 0.00 57.90 56.99 2wdk n TYR 207 Cb 0.21 -0.01 0.27 0.00 -1.03 0.00 0.00 39.34 38.78 2wdk n TYR 207 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 2wdk n SER 208 N -0.42 3.90 0.00 7.72 7.64 -0.97 -5.10 113.62 126.39 2wdk n SER 208 Ca 0.01 -2.28 0.00 0.00 1.01 0.00 0.00 58.87 57.60 2wdk n SER 208 Cb 0.03 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 2wdk n SER 208 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89