#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdw s LEU -4 N 0.00 4.25 0.24 -4.53 1.43 -1.26 -5.02 118.68 113.80 3kdw s LEU -4 Ca 0.00 1.52 -0.30 0.00 -1.03 0.00 0.00 54.13 54.32 3kdw s LEU -4 Cb 0.00 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.59 3kdw s LEU -4 CO 0.00 -0.43 1.01 -0.47 0.23 0.00 0.00 176.35 176.69 3kdw s TYR -3 N 1.94 3.80 0.00 0.29 5.04 -1.26 -5.06 117.35 122.10 3kdw s TYR -3 Ca 0.48 1.81 0.01 0.00 -2.44 0.00 0.00 57.07 56.93 3kdw s TYR -3 Cb -0.18 -3.12 -0.00 0.00 0.35 0.00 0.00 41.96 39.00 3kdw s TYR -3 CO 0.18 -0.01 -0.03 -0.06 -1.34 0.00 0.00 175.55 174.29 3kdw s PHE -2 N -1.03 0.31 0.53 4.97 0.08 -1.26 -5.14 117.98 116.44 3kdw s PHE -2 Ca 0.43 -0.10 -0.20 0.00 0.12 0.00 0.00 56.93 57.18 3kdw s PHE -2 Cb -0.28 -0.20 -0.07 0.00 -0.57 0.00 0.00 43.02 41.89 3kdw s PHE -2 CO 0.35 -0.02 0.91 0.94 -0.10 0.00 0.00 175.22 177.30 3kdw n GLN -1 N 2.85 1.00 0.00 0.44 7.27 -1.26 -4.87 117.38 122.80 3kdw n GLN -1 Ca -0.14 0.37 0.00 0.00 0.07 0.00 0.00 57.00 57.31 3kdw n GLN -1 Cb 0.58 -2.05 0.00 0.00 2.41 0.00 0.00 30.24 31.19 3kdw n GLN -1 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kdw n GLY 0 N 1.33 2.89 0.19 1.69 0.00 -1.26 -5.01 105.19 105.03 3kdw n GLY 0 Ca 0.12 -1.05 -0.02 0.00 0.00 0.00 0.00 46.02 45.07 3kdw n GLY 0 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdw h ALA 21 N 0.13 1.11 -2.16 4.61 0.00 -1.96 -3.41 119.26 117.59 3kdw h ALA 21 Ca 0.00 -0.42 -0.57 0.00 0.00 0.00 0.00 54.91 53.92 3kdw h ALA 21 Cb 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 3kdw h ALA 21 CO 0.00 0.59 0.74 0.08 0.00 0.00 0.00 179.25 180.67 3kdw s VAL 22 N -4.11 4.61 0.14 0.00 1.01 -1.26 -5.01 120.40 115.78 3kdw s VAL 22 Ca -0.04 1.92 -0.31 0.00 0.00 0.00 0.00 61.98 63.55 3kdw s VAL 22 Cb 0.13 -4.24 -0.08 0.00 0.00 0.00 0.00 36.38 32.20 3kdw s VAL 22 CO 0.77 -0.11 1.36 -1.81 0.00 0.00 0.00 175.10 175.31 3kdw s ASP 23 N 1.32 6.84 0.08 3.32 1.01 -1.26 -4.94 116.67 123.04 3kdw s ASP 23 Ca 0.48 2.36 -0.30 0.00 0.71 0.00 0.00 52.55 55.79 3kdw s ASP 23 Cb -0.18 -2.59 -0.06 0.00 1.01 0.00 0.00 42.92 41.10 3kdw s ASP 23 CO 0.12 -0.61 1.19 -0.22 0.21 0.00 0.00 175.17 175.86 3kdw s LEU 24 N 0.67 4.39 -1.45 1.23 2.96 -1.26 -4.93 118.68 120.28 3kdw s LEU 24 Ca 0.62 2.04 -0.13 0.00 -0.22 0.00 0.00 54.13 56.45 3kdw s LEU 24 Cb -0.37 -3.58 0.04 0.00 0.50 0.00 0.00 46.19 42.78 3kdw s LEU 24 CO 0.33 -0.44 2.28 -0.67 -1.32 0.00 0.00 176.35 176.53 3kdw n ASP 25 N 3.66 4.82 0.04 3.68 2.03 -1.26 -4.62 116.55 124.89 3kdw n ASP 25 Ca 0.08 -2.85 0.11 0.00 0.52 0.00 0.00 54.79 52.65 3kdw n ASP 25 Cb 0.46 -1.61 -0.09 0.00 -0.72 0.00 0.00 41.12 39.16 3kdw n ASP 25 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 3kdw n ARG 26 N 5.32 0.64 -1.98 -0.67 1.85 -1.26 -4.90 116.66 115.65 3kdw n ARG 26 Ca 0.54 -0.06 -0.42 0.00 -1.00 0.00 0.00 57.85 56.92 3kdw n ARG 26 Cb 0.36 -1.66 -0.03 0.00 -1.05 0.00 0.00 32.46 30.08 3kdw n ARG 26 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 3kdw s GLU 27 N -3.45 4.24 0.00 2.89 2.02 -1.26 -2.09 118.70 121.05 3kdw s GLU 27 Ca -0.05 2.31 0.00 0.00 0.02 0.00 0.00 54.97 57.25 3kdw s GLU 27 Cb 0.12 -3.17 0.00 0.00 0.10 0.00 0.00 34.13 31.18 3kdw s GLU 27 CO 0.86 -0.57 0.00 0.41 0.02 0.00 0.00 175.26 175.97 3kdw n GLY 28 N 3.71 0.94 3.90 -1.39 0.00 -1.26 -5.01 105.19 106.07 3kdw n GLY 28 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 3kdw n GLY 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kdw s ARG 29 N -0.00 3.57 0.08 1.61 0.52 -0.89 -5.04 118.95 118.80 3kdw s ARG 29 Ca 0.00 -0.16 -0.33 0.00 -0.52 0.00 0.00 55.73 54.72 3kdw s ARG 29 Cb 0.00 -2.95 -0.12 0.00 0.52 0.00 0.00 34.95 32.40 3kdw s ARG 29 CO 0.00 0.55 1.78 -3.47 0.02 0.00 0.00 175.30 174.18 3kdw n ASP 30 N 0.41 3.65 0.03 0.23 2.03 -1.26 -4.89 116.55 116.73 3kdw n ASP 30 Ca -0.05 1.01 0.04 0.00 0.52 0.00 0.00 54.79 56.31 3kdw n ASP 30 Cb 0.52 -1.47 0.45 0.00 -0.72 0.00 0.00 41.12 39.89 3kdw n ASP 30 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3kdw h PRO 31 N 8.06 0.49 -0.42 -0.67 0.11 -1.96 -1.45 132.00 136.15 3kdw h PRO 31 Ca -0.47 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 3kdw h PRO 31 Cb 1.24 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3kdw h PRO 31 CO 0.93 0.32 -0.14 0.00 -0.21 0.00 0.00 178.00 178.90 3kdw h ALA 32 N 1.77 0.95 -0.26 -0.75 0.00 -1.99 -0.50 119.26 118.49 3kdw h ALA 32 Ca 0.14 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3kdw h ALA 32 Cb -0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3kdw h ALA 32 CO -0.03 0.61 0.04 -0.92 0.00 0.00 0.00 179.25 178.95 3kdw h TYR 33 N 0.70 0.45 -0.41 0.00 3.20 -1.81 -0.43 116.97 118.68 3kdw h TYR 33 Ca 0.11 -0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.95 3kdw h TYR 33 Cb 0.63 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.75 3kdw h TYR 33 CO 0.03 0.54 0.20 0.28 -1.64 0.00 0.00 178.16 177.57 3kdw h VAL 34 N 0.24 0.97 -0.81 1.81 2.07 -1.11 -1.16 116.25 118.27 3kdw h VAL 34 Ca 0.08 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 3kdw h VAL 34 Cb 0.33 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 3kdw h VAL 34 CO 0.00 0.07 0.33 -0.08 0.02 0.00 0.00 177.57 177.92 3kdw h GLU 35 N 0.41 1.20 -0.63 1.57 4.81 -0.87 -1.04 114.58 120.02 3kdw h GLU 35 Ca 0.18 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 3kdw h GLU 35 Cb 0.09 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 3kdw h GLU 35 CO -0.13 0.96 0.30 1.03 -0.73 0.00 0.00 179.01 180.45 3kdw h SER 36 N 1.17 0.82 -0.29 1.04 0.87 -0.40 -0.60 113.55 116.16 3kdw h SER 36 Ca 0.27 -0.13 -0.09 0.00 -1.23 0.00 0.00 61.79 60.61 3kdw h SER 36 Cb 0.20 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 3kdw h SER 36 CO -0.02 0.72 -0.16 0.40 -0.53 0.00 0.00 176.83 177.24 3kdw h ILE 37 N 0.87 1.30 -0.65 2.23 1.08 -0.98 -1.57 117.51 119.78 3kdw h ILE 37 Ca 0.22 -1.28 0.02 0.00 -0.39 0.00 0.00 64.86 63.43 3kdw h ILE 37 Cb 0.12 1.51 -0.04 0.00 -3.07 0.00 0.00 36.82 35.34 3kdw h ILE 37 CO -0.03 0.41 0.41 0.58 -0.69 0.00 0.00 178.15 178.83 3kdw h VAL 38 N 0.36 1.11 -0.68 1.67 2.07 -1.04 0.06 116.25 119.79 3kdw h VAL 38 Ca 0.06 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 3kdw h VAL 38 Cb 0.69 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3kdw h VAL 38 CO 0.05 0.15 0.18 0.11 0.02 0.00 0.00 177.57 178.08 3kdw h LYS 39 N 0.82 1.07 -0.46 1.57 6.56 -1.02 0.12 116.57 125.23 3kdw h LYS 39 Ca 0.26 -0.25 0.01 0.00 -1.06 0.00 0.00 60.65 59.60 3kdw h LYS 39 Cb -0.01 -0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 31.48 3kdw h LYS 39 CO -0.09 0.95 0.30 -0.09 -2.06 0.00 0.00 179.45 178.46 3kdw h ARG 40 N 1.01 0.60 -0.43 3.15 2.43 -0.91 -1.22 114.38 119.00 3kdw h ARG 40 Ca 0.21 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 3kdw h ARG 40 Cb 0.34 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 3kdw h ARG 40 CO -0.00 0.40 0.05 0.77 -1.51 0.00 0.00 179.97 179.68 3kdw h SER 41 N 0.62 0.70 -0.93 -3.80 0.02 -0.55 -2.58 113.55 107.03 3kdw h SER 41 Ca 0.17 -0.27 0.04 0.00 -0.84 0.00 0.00 61.79 60.88 3kdw h SER 41 Cb -0.06 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.24 3kdw h SER 41 CO -0.04 0.79 0.60 1.56 -1.14 0.00 0.00 176.83 178.60 3kdw h GLN 42 N 0.58 1.13 -0.55 3.45 4.20 -0.56 -1.57 115.11 121.79 3kdw h GLN 42 Ca 0.13 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 3kdw h GLN 42 Cb 0.40 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 3kdw h GLN 42 CO 0.01 0.75 0.14 0.87 -0.67 0.00 0.00 178.83 179.93 3kdw h LYS 43 N 1.16 0.85 -0.28 1.46 6.56 -0.96 -0.10 116.57 125.27 3kdw h LYS 43 Ca 0.37 -0.17 -0.02 0.00 -1.06 0.00 0.00 60.65 59.77 3kdw h LYS 43 Cb 0.01 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 31.53 3kdw h LYS 43 CO -0.12 0.75 0.10 0.82 -2.06 0.00 0.00 179.45 178.94 3kdw h ILE 44 N 0.82 1.19 -0.36 1.86 2.04 -1.04 -3.10 117.51 118.91 3kdw h ILE 44 Ca 0.18 -0.58 -0.08 0.00 1.00 0.00 0.00 64.86 65.38 3kdw h ILE 44 Cb 0.29 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 3kdw h ILE 44 CO -0.00 0.19 -0.13 0.58 0.00 0.00 0.00 178.15 178.79 3kdw h VAL 45 N 0.30 1.25 -0.93 1.67 2.07 -0.89 -2.64 116.25 117.07 3kdw h VAL 45 Ca 0.09 -1.12 0.13 0.00 0.82 0.00 0.00 66.70 66.63 3kdw h VAL 45 Cb 0.21 1.11 -0.08 0.00 -1.52 0.00 0.00 31.29 31.01 3kdw h VAL 45 CO -0.01 0.37 0.59 0.44 0.02 0.00 0.00 177.57 178.99 3kdw h ASP 46 N 0.58 0.77 0.91 0.57 3.32 -0.95 -0.68 116.42 120.93 3kdw h ASP 46 Ca 0.10 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3kdw h ASP 46 Cb 0.56 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3kdw h ASP 46 CO 0.03 0.40 0.00 0.11 -1.72 0.00 0.00 179.24 178.07 3kdw h LYS 47 N 0.82 0.00 0.00 3.56 6.56 -1.47 -2.22 116.57 123.82 3kdw h LYS 47 Ca 0.46 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 60.03 3kdw h LYS 47 Cb 0.60 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.26 3kdw h LYS 47 CO -0.23 0.00 -0.10 -0.07 -2.06 0.00 0.00 179.45 177.00 3kdw h LEU 48 N 0.00 0.00 -1.62 2.94 3.38 -1.18 -3.47 115.31 115.35 3kdw h LEU 48 Ca 0.00 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.53 3kdw h LEU 48 Cb 0.45 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.22 3kdw h LEU 48 CO 0.00 0.10 -0.82 -0.62 0.09 0.00 0.00 178.44 177.19 3kdw n GLU 49 N -3.19 -4.79 -2.00 1.13 1.02 -0.84 -4.95 120.64 107.03 3kdw n GLU 49 Ca 0.01 0.58 -0.35 0.00 -0.02 0.00 0.00 57.16 57.38 3kdw n GLU 49 Cb 0.42 -5.15 0.03 0.00 -0.02 0.00 0.00 31.44 26.72 3kdw n GLU 49 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kdw s LEU 50 N -6.85 3.63 0.00 -4.62 1.43 -1.26 -4.97 118.68 106.03 3kdw s LEU 50 Ca 0.15 2.29 0.14 0.00 -1.03 0.00 0.00 54.13 55.68 3kdw s LEU 50 Cb -0.08 -4.59 0.05 0.00 0.03 0.00 0.00 46.19 41.60 3kdw s LEU 50 CO 0.83 -1.56 0.84 0.35 0.23 0.00 0.00 176.35 177.04 3kdw n THR 51 N -1.70 0.00 -3.68 5.49 -2.24 -1.26 -4.86 114.28 106.03 3kdw n THR 51 Ca 0.13 -0.42 -0.39 0.00 -2.27 0.00 0.00 64.05 61.10 3kdw n THR 51 Cb 0.50 1.22 -0.11 0.00 -2.10 0.00 0.00 70.33 69.83 3kdw n THR 51 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kdw s ASP 52 N -1.45 5.49 0.32 3.42 -1.08 -1.26 -4.98 116.67 117.12 3kdw s ASP 52 Ca 0.13 -1.24 0.12 0.00 -0.52 0.00 0.00 52.55 51.05 3kdw s ASP 52 Cb 0.11 -1.93 0.53 0.00 -1.46 0.00 0.00 42.92 40.17 3kdw s ASP 52 CO 0.27 -0.40 1.71 0.71 0.52 0.00 0.00 175.17 177.98 3kdw h THR 53 N 6.09 1.34 -0.19 1.71 1.35 -2.00 -1.52 112.91 119.69 3kdw h THR 53 Ca -0.23 -1.72 -0.06 0.00 -0.55 0.00 0.00 66.41 63.85 3kdw h THR 53 Cb 1.09 1.93 -0.00 0.00 -1.73 0.00 0.00 68.15 69.44 3kdw h THR 53 CO 0.66 0.49 -0.11 0.58 -0.25 0.00 0.00 175.52 176.89 3kdw h VAL 54 N 0.00 1.31 -0.79 6.82 2.07 -2.00 -2.62 116.25 121.04 3kdw h VAL 54 Ca -0.00 -1.18 0.08 0.00 0.82 0.00 0.00 66.70 66.42 3kdw h VAL 54 Cb 0.90 1.68 -0.07 0.00 -1.52 0.00 0.00 31.29 32.28 3kdw h VAL 54 CO 0.06 0.36 0.44 0.00 0.02 0.00 0.00 177.57 178.46 3kdw h ALA 55 N 0.68 1.10 -0.64 1.67 0.00 -1.92 -1.02 119.26 119.13 3kdw h ALA 55 Ca 0.04 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3kdw h ALA 55 Cb 0.60 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 3kdw h ALA 55 CO 0.03 0.09 0.37 0.00 0.00 0.00 0.00 179.25 179.74 3kdw h ALA 56 N 1.43 0.84 -0.44 0.00 0.00 -1.20 -0.13 119.26 119.76 3kdw h ALA 56 Ca 0.37 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.29 3kdw h ALA 56 Cb 0.31 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3kdw h ALA 56 CO -0.23 0.07 0.29 0.00 0.00 0.00 0.00 179.25 179.38 3kdw h ARG 57 N 0.70 0.57 -0.37 0.00 3.08 -0.98 -1.18 114.38 116.20 3kdw h ARG 57 Ca 0.27 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.28 3kdw h ARG 57 Cb 0.11 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3kdw h ARG 57 CO -0.15 0.38 0.19 0.93 -1.07 0.00 0.00 179.97 180.25 3kdw h GLU 58 N 0.58 0.51 -0.65 0.04 4.39 -0.58 -1.69 114.58 117.19 3kdw h GLU 58 Ca 0.16 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 3kdw h GLU 58 Cb -0.06 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.46 3kdw h GLU 58 CO -0.04 0.43 0.29 0.28 -1.16 0.00 0.00 179.01 178.81 3kdw h VAL 59 N 0.46 1.23 -0.45 3.13 2.07 -1.01 -0.88 116.25 120.81 3kdw h VAL 59 Ca 0.13 -0.68 0.09 0.00 0.82 0.00 0.00 66.70 67.05 3kdw h VAL 59 Cb 0.07 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 30.24 3kdw h VAL 59 CO -0.02 0.27 -0.01 0.74 0.02 0.00 0.00 177.57 178.58 3kdw h THR 60 N 0.91 0.65 -0.52 2.57 2.02 -0.89 -0.96 112.91 116.69 3kdw h THR 60 Ca 0.22 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.33 3kdw h THR 60 Cb 0.16 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 3kdw h THR 60 CO -0.02 0.02 0.20 0.74 0.37 0.00 0.00 175.52 176.82 3kdw h THR 61 N 0.10 1.22 -0.46 3.16 2.02 -0.90 -0.40 112.91 117.66 3kdw h THR 61 Ca 0.22 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.71 3kdw h THR 61 Cb 0.33 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 3kdw h THR 61 CO -0.38 0.26 0.30 0.40 0.37 0.00 0.00 175.52 176.47 3kdw h ILE 62 N 0.70 1.13 -0.17 3.11 2.04 -0.80 0.77 117.51 124.28 3kdw h ILE 62 Ca 0.17 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 3kdw h ILE 62 Cb 0.21 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 3kdw h ILE 62 CO -0.01 0.12 0.02 0.40 0.00 0.00 0.00 178.15 178.68 3kdw h ILE 63 N 0.62 1.23 -0.66 -0.67 2.04 -1.05 -2.26 117.51 116.76 3kdw h ILE 63 Ca 0.17 -0.74 0.03 0.00 1.00 0.00 0.00 64.86 65.33 3kdw h ILE 63 Cb -0.05 1.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 3kdw h ILE 63 CO -0.04 0.22 0.40 0.00 0.00 0.00 0.00 178.15 178.74 3kdw h ALA 64 N 0.81 0.86 -0.25 1.87 0.00 -0.76 -1.18 119.26 120.62 3kdw h ALA 64 Ca 0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3kdw h ALA 64 Cb 0.32 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3kdw h ALA 64 CO 0.00 0.14 -0.03 -0.91 0.00 0.00 0.00 179.25 178.45 3kdw h ASN 65 N 0.78 0.35 -0.18 0.00 2.35 -0.77 -0.26 115.58 117.84 3kdw h ASN 65 Ca 0.27 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.87 3kdw h ASN 65 Cb 0.05 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 3kdw h ASN 65 CO -0.12 0.44 -0.24 -0.09 -1.65 0.00 0.00 177.43 175.77 3kdw h ARG 66 N 0.36 0.49 -0.57 0.81 9.65 -0.74 -0.17 114.38 124.21 3kdw h ARG 66 Ca 0.08 -0.28 0.10 0.00 -1.10 0.00 0.00 59.98 58.78 3kdw h ARG 66 Cb 0.30 0.02 -0.08 0.00 -1.39 0.00 0.00 29.97 28.83 3kdw h ARG 66 CO 0.01 0.87 0.15 1.88 2.80 0.00 0.00 179.97 185.68 3kdw h TYR 67 N 0.14 0.25 -0.55 2.20 0.05 -0.78 -0.55 116.97 117.73 3kdw h TYR 67 Ca 0.02 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.80 3kdw h TYR 67 Cb 0.81 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.50 3kdw h TYR 67 CO 0.09 0.02 0.21 0.74 -1.05 0.00 0.00 178.16 178.17 3kdw h PHE 68 N 0.30 0.84 -0.53 4.88 0.04 -0.79 -1.15 116.94 120.53 3kdw h PHE 68 Ca 0.29 -0.07 -0.09 0.00 2.80 0.00 0.00 57.97 60.90 3kdw h PHE 68 Cb 0.40 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 3kdw h PHE 68 CO -0.22 0.69 -0.03 -0.22 -0.60 0.00 0.00 178.31 177.94 3kdw h LYS 69 N 0.75 0.96 -0.43 1.51 1.63 -0.61 -1.34 116.57 119.04 3kdw h LYS 69 Ca 0.18 -0.32 0.04 0.00 -0.85 0.00 0.00 60.65 59.70 3kdw h LYS 69 Cb 0.21 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.72 3kdw h LYS 69 CO -0.01 0.99 0.20 -0.07 -3.45 0.00 0.00 179.45 177.11 3kdw h LEU 70 N 0.84 0.28 -0.49 5.20 3.38 -1.00 -0.91 115.31 122.61 3kdw h LEU 70 Ca 0.15 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.24 3kdw h LEU 70 Cb 0.57 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.21 3kdw h LEU 70 CO 0.03 0.20 -0.12 -1.13 0.09 0.00 0.00 178.44 177.52 3kdw h ASN 71 N 0.41 -0.45 -0.88 -0.43 -1.24 -0.94 -0.99 115.58 111.06 3kdw h ASN 71 Ca 0.19 0.15 -0.01 0.00 0.71 0.00 0.00 56.30 57.34 3kdw h ASN 71 Cb 0.11 0.30 -0.04 0.00 0.73 0.00 0.00 38.32 39.43 3kdw h ASN 71 CO -0.15 -0.16 0.51 0.44 -1.29 0.00 0.00 177.43 176.78 3kdw h ASP 72 N 0.00 1.08 -0.42 1.15 3.32 -0.68 -0.09 116.42 120.78 3kdw h ASP 72 Ca 0.24 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.21 3kdw h ASP 72 Cb 0.36 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3kdw h ASP 72 CO -0.51 0.85 0.27 0.40 -1.72 0.00 0.00 179.24 178.53 3kdw h ILE 73 N 1.22 1.09 -0.07 0.35 2.04 -0.57 -1.27 117.51 120.30 3kdw h ILE 73 Ca 0.31 -0.19 -0.14 0.00 1.00 0.00 0.00 64.86 65.84 3kdw h ILE 73 Cb -0.01 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 3kdw h ILE 73 CO -0.05 0.10 -0.58 1.88 0.00 0.00 0.00 178.15 179.50 3kdw h TYR 74 N 0.55 0.27 -0.73 1.37 0.05 -0.94 -1.88 116.97 115.67 3kdw h TYR 74 Ca 0.16 -0.10 -0.05 0.00 0.05 0.00 0.00 58.73 58.79 3kdw h TYR 74 Cb -0.05 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 37.61 3kdw h TYR 74 CO -0.05 0.74 0.26 0.93 -1.05 0.00 0.00 178.16 178.99 3kdw h GLU 75 N 0.16 1.12 -0.49 4.88 5.08 -0.72 -0.17 114.58 124.44 3kdw h GLU 75 Ca -0.00 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 3kdw h GLU 75 Cb 1.06 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 3kdw h GLU 75 CO 0.09 0.93 0.24 1.15 -1.00 0.00 0.00 179.01 180.42 3kdw h THR 76 N 1.07 1.19 -0.34 1.13 2.02 -0.99 -1.16 112.91 115.83 3kdw h THR 76 Ca 0.24 -0.53 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 3kdw h THR 76 Cb 0.26 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3kdw h THR 76 CO -0.01 0.21 0.14 -0.09 0.37 0.00 0.00 175.52 176.14 3kdw h ARG 77 N 0.65 0.50 -0.62 6.66 1.12 -1.10 -2.54 114.38 119.06 3kdw h ARG 77 Ca 0.17 -0.09 -0.04 0.00 -1.11 0.00 0.00 59.98 58.91 3kdw h ARG 77 Cb 0.11 -0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 29.96 3kdw h ARG 77 CO -0.02 0.49 0.21 -0.44 -3.11 0.00 0.00 179.97 177.10 3kdw h ASP 78 N 0.40 0.86 -0.82 -3.80 3.32 -0.85 -1.21 116.42 114.33 3kdw h ASP 78 Ca 0.11 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 3kdw h ASP 78 Cb 0.17 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 3kdw h ASP 78 CO -0.01 0.80 0.40 0.00 -1.72 0.00 0.00 179.24 178.72 3kdw h ALA 79 N 1.32 1.16 -0.52 3.45 0.00 -0.94 0.82 119.26 124.54 3kdw h ALA 79 Ca 0.21 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3kdw h ALA 79 Cb 0.24 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3kdw h ALA 79 CO -0.01 0.64 0.06 0.87 0.00 0.00 0.00 179.25 180.81 3kdw h LYS 80 N 1.17 0.88 -0.40 0.00 1.57 -1.04 -1.30 116.57 117.45 3kdw h LYS 80 Ca 0.28 -0.25 -0.14 0.00 -1.87 0.00 0.00 60.65 58.67 3kdw h LYS 80 Cb 0.10 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3kdw h LYS 80 CO -0.04 0.88 -0.31 0.28 -0.57 0.00 0.00 179.45 179.69 3kdw h VAL 81 N 0.76 1.27 -0.38 0.50 2.07 -0.96 -1.07 116.25 118.44 3kdw h VAL 81 Ca 0.15 -1.48 0.02 0.00 0.82 0.00 0.00 66.70 66.21 3kdw h VAL 81 Cb 0.44 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 3kdw h VAL 81 CO 0.02 0.49 0.22 0.50 0.02 0.00 0.00 177.57 178.82 3kdw h LYS 82 N 0.74 0.44 -0.75 1.57 3.64 -0.69 0.52 116.57 122.04 3kdw h LYS 82 Ca 0.08 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3kdw h LYS 82 Cb 0.88 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.56 3kdw h LYS 82 CO 0.08 0.29 0.44 1.25 -2.27 0.00 0.00 179.45 179.24 3kdw h LEU 83 N 0.45 0.91 -0.35 5.20 6.46 -0.98 -1.35 115.31 125.65 3kdw h LEU 83 Ca 0.15 -0.06 -0.05 0.00 -0.12 0.00 0.00 57.88 57.80 3kdw h LEU 83 Cb 0.00 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 39.69 3kdw h LEU 83 CO -0.07 0.71 0.02 0.00 -0.62 0.00 0.00 178.44 178.48 3kdw h ALA 84 N 1.45 0.47 -0.95 1.25 0.00 -0.63 -2.03 119.26 118.82 3kdw h ALA 84 Ca 0.27 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3kdw h ALA 84 Cb -0.02 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 3kdw h ALA 84 CO -0.05 0.21 0.62 0.87 0.00 0.00 0.00 179.25 180.90 3kdw h LYS 85 N 0.42 1.18 0.00 0.00 1.57 -0.34 0.88 116.57 120.28 3kdw h LYS 85 Ca 0.10 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3kdw h LYS 85 Cb 0.42 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3kdw h LYS 85 CO 0.01 0.78 -0.26 -0.85 -0.57 0.00 0.00 179.45 178.56 3kdw n GLU 86 N -4.43 0.16 -0.00 3.15 0.28 -0.56 -4.36 120.64 114.88 3kdw n GLU 86 Ca 0.12 0.09 0.01 0.00 -0.16 0.00 0.00 57.16 57.22 3kdw n GLU 86 Cb 0.08 -1.64 -0.01 0.00 1.43 0.00 0.00 31.44 31.30 3kdw n GLU 86 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3kdw n THR 87 N -1.89 0.00 -4.20 3.84 -2.24 -0.77 -5.09 114.28 103.92 3kdw n THR 87 Ca 0.05 -0.23 -0.12 0.00 -2.27 0.00 0.00 64.05 61.48 3kdw n THR 87 Cb 0.39 0.71 -0.10 0.00 -2.10 0.00 0.00 70.33 69.23 3kdw n THR 87 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3kdw s LEU 88 N -2.64 2.50 0.13 3.22 1.43 0.27 -5.07 118.68 118.52 3kdw s LEU 88 Ca -0.00 -1.02 -0.02 0.00 -1.03 0.00 0.00 54.13 52.07 3kdw s LEU 88 Cb 0.01 -0.17 -0.04 0.00 0.03 0.00 0.00 46.19 46.02 3kdw s LEU 88 CO 0.06 -0.42 0.07 0.28 0.23 0.00 0.00 176.35 176.57 3kdw s THR 89 N -3.52 0.10 0.00 5.49 -1.32 -1.26 -4.67 115.64 110.46 3kdw s THR 89 Ca 0.14 -1.87 0.00 0.00 -1.21 0.00 0.00 61.69 58.75 3kdw s THR 89 Cb 0.04 -2.03 0.00 0.00 -1.51 0.00 0.00 72.50 69.01 3kdw s THR 89 CO -0.03 -0.46 0.00 0.61 -2.21 0.00 0.00 174.62 172.54 3kdw n GLY 90 N -0.10 3.17 0.32 6.08 0.00 -1.26 -2.49 105.19 110.91 3kdw n GLY 90 Ca -0.06 -0.28 -0.05 0.00 0.00 0.00 0.00 46.02 45.63 3kdw n GLY 90 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kdw h ASP 91 N 6.53 1.00 -0.63 1.61 3.32 -2.00 -1.57 116.42 124.69 3kdw h ASP 91 Ca 0.00 -0.10 0.06 0.00 0.02 0.00 0.00 57.03 57.01 3kdw h ASP 91 Cb 0.00 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.24 3kdw h ASP 91 CO 0.00 0.81 0.34 0.00 -1.72 0.00 0.00 179.24 178.66 3kdw h ALA 92 N 1.23 0.83 -0.11 3.45 0.00 -1.96 0.16 119.26 122.86 3kdw h ALA 92 Ca 0.28 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 3kdw h ALA 92 Cb 0.03 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kdw h ALA 92 CO -0.05 -0.00 0.04 -0.22 0.00 0.00 0.00 179.25 179.02 3kdw h LYS 93 N 0.62 0.17 -0.80 0.00 3.64 -1.13 -1.73 116.57 117.34 3kdw h LYS 93 Ca 0.28 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3kdw h LYS 93 Cb 0.19 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 3kdw h LYS 93 CO -0.19 0.30 0.51 1.96 -2.27 0.00 0.00 179.45 179.76 3kdw h GLN 94 N 0.01 1.07 -0.72 1.90 1.08 -0.93 -1.18 115.11 116.33 3kdw h GLN 94 Ca 0.04 -0.08 -0.07 0.00 -1.45 0.00 0.00 58.65 57.09 3kdw h GLN 94 Cb 0.19 -0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 27.36 3kdw h GLN 94 CO -0.00 0.73 0.18 0.93 -0.95 0.00 0.00 178.83 179.71 3kdw h GLU 95 N 1.09 1.15 -0.39 1.46 4.39 -0.48 -0.47 114.58 121.33 3kdw h GLU 95 Ca 0.29 -0.27 -0.09 0.00 0.34 0.00 0.00 59.36 59.63 3kdw h GLU 95 Cb -0.09 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.39 3kdw h GLU 95 CO -0.06 1.01 -0.13 0.00 -1.16 0.00 0.00 179.01 178.67 3kdw h ALA 96 N 1.10 1.05 -0.29 3.43 0.00 -0.81 -0.20 119.26 123.53 3kdw h ALA 96 Ca 0.23 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3kdw h ALA 96 Cb 0.37 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3kdw h ALA 96 CO 0.00 0.58 -0.01 0.28 0.00 0.00 0.00 179.25 180.10 3kdw h VAL 97 N 0.63 1.26 -0.62 0.00 2.07 -0.98 -0.36 116.25 118.24 3kdw h VAL 97 Ca 0.11 -0.95 0.06 0.00 0.82 0.00 0.00 66.70 66.73 3kdw h VAL 97 Cb 0.58 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 3kdw h VAL 97 CO 0.04 0.31 0.33 0.50 0.02 0.00 0.00 177.57 178.76 3kdw h LYS 98 N 0.30 0.59 -0.51 1.57 3.64 -0.83 -0.68 116.57 120.65 3kdw h LYS 98 Ca 0.08 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 3kdw h LYS 98 Cb 0.44 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 3kdw h LYS 98 CO 0.02 0.39 -0.07 0.00 -2.27 0.00 0.00 179.45 177.51 3kdw h ALA 99 N 1.34 0.90 -0.60 5.00 0.00 -0.80 -0.66 119.26 124.43 3kdw h ALA 99 Ca 0.28 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3kdw h ALA 99 Cb 0.20 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3kdw h ALA 99 CO -0.19 0.64 0.09 0.00 0.00 0.00 0.00 179.25 179.79 3kdw h ALA 100 N 1.07 1.01 -0.57 0.00 0.00 -0.58 -0.81 119.26 119.38 3kdw h ALA 100 Ca 0.14 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3kdw h ALA 100 Cb 0.60 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3kdw h ALA 100 CO 0.04 0.63 -0.02 1.49 0.00 0.00 0.00 179.25 181.38 3kdw h GLU 101 N 0.93 1.02 -0.52 0.00 4.81 -0.72 -0.45 114.58 119.64 3kdw h GLU 101 Ca 0.19 -0.33 -0.06 0.00 -0.13 0.00 0.00 59.36 59.03 3kdw h GLU 101 Cb 0.42 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 3kdw h GLU 101 CO 0.01 1.01 0.11 0.00 -0.73 0.00 0.00 179.01 179.41 3kdw h ALA 102 N 1.03 0.68 -0.56 2.92 0.00 -0.86 -0.63 119.26 121.85 3kdw h ALA 102 Ca 0.16 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3kdw h ALA 102 Cb 0.57 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3kdw h ALA 102 CO 0.03 0.40 0.13 0.93 0.00 0.00 0.00 179.25 180.74 3kdw h GLU 103 N 0.73 0.87 -0.19 0.00 4.39 -0.93 0.13 114.58 119.58 3kdw h GLU 103 Ca 0.16 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 3kdw h GLU 103 Cb 0.37 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3kdw h GLU 103 CO 0.01 0.79 0.06 -0.22 -1.16 0.00 0.00 179.01 178.48 3kdw h LYS 104 N 0.84 0.29 -0.39 2.33 3.11 -0.86 -1.52 116.57 120.37 3kdw h LYS 104 Ca 0.18 -0.06 -0.06 0.00 -2.81 0.00 0.00 60.65 57.90 3kdw h LYS 104 Cb 0.31 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.48 3kdw h LYS 104 CO -0.00 0.40 -0.02 -0.44 -2.81 0.00 0.00 179.45 176.58 3kdw h ASP 105 N 0.12 0.60 -0.60 4.20 3.32 -0.75 -0.89 116.42 122.42 3kdw h ASP 105 Ca 0.06 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 56.99 3kdw h ASP 105 Cb 0.23 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 3kdw h ASP 105 CO -0.00 0.68 0.38 0.00 -1.72 0.00 0.00 179.24 178.59 3kdw h ALA 106 N 1.39 0.76 -0.57 3.45 0.00 -0.60 0.52 119.26 124.21 3kdw h ALA 106 Ca 0.12 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3kdw h ALA 106 Cb 0.40 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3kdw h ALA 106 CO 0.02 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.43 3kdw h ALA 107 N 1.23 0.94 -0.38 0.00 0.00 -0.69 -0.63 119.26 119.73 3kdw h ALA 107 Ca 0.23 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3kdw h ALA 107 Cb -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3kdw h ALA 107 CO -0.07 0.64 0.21 -0.07 0.00 0.00 0.00 179.25 179.96 3kdw h LEU 108 N 0.90 0.47 -0.38 0.00 3.38 -0.92 -2.56 115.31 116.20 3kdw h LEU 108 Ca 0.16 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3kdw h LEU 108 Cb 0.52 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3kdw h LEU 108 CO 0.03 0.42 0.22 0.22 0.09 0.00 0.00 178.44 179.41 3kdw h TYR 109 N 0.48 0.42 0.00 1.13 3.20 -0.47 0.25 116.97 121.98 3kdw h TYR 109 Ca 0.13 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 3kdw h TYR 109 Cb 0.05 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 3kdw h TYR 109 CO -0.03 0.25 -0.21 0.00 -1.64 0.00 0.00 178.16 176.53 3kdw h ARG 110 N 0.45 0.00 -0.00 1.82 3.08 -0.99 -3.05 114.38 115.69 3kdw h ARG 110 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3kdw h ARG 110 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3kdw h ARG 110 CO -0.07 0.21 -0.53 0.25 -1.07 0.00 0.00 179.97 178.76 3kdw n THR 111 N -4.16 0.00 -0.16 2.04 -2.24 -0.98 -4.72 114.28 104.06 3kdw n THR 111 Ca -0.02 -0.23 -0.11 0.00 -2.27 0.00 0.00 64.05 61.41 3kdw n THR 111 Cb 0.28 1.07 -0.00 0.00 -2.10 0.00 0.00 70.33 69.58 3kdw n THR 111 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3kdw h HIS 112 N 0.70 1.05 0.00 4.78 6.17 -0.83 -3.22 115.15 123.80 3kdw h HIS 112 Ca 0.00 -0.24 -0.08 0.00 0.71 0.00 0.00 60.37 60.76 3kdw h HIS 112 Cb 0.42 -0.25 -0.01 0.00 2.52 0.00 0.00 27.41 30.08 3kdw h HIS 112 CO 0.00 1.03 -0.40 0.74 0.71 0.00 0.00 177.93 180.01 3kdw h PHE 113 N 0.77 0.00 0.00 5.26 0.04 -1.85 -3.10 116.94 118.06 3kdw h PHE 113 Ca 0.11 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.83 3kdw h PHE 113 Cb 0.71 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.85 3kdw h PHE 113 CO 0.05 0.40 -0.24 0.00 -0.60 0.00 0.00 178.31 177.93 3kdw h ALA 114 N 1.60 1.26 0.38 2.45 0.00 -1.87 -2.78 119.26 120.30 3kdw h ALA 114 Ca -0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3kdw h ALA 114 Cb 1.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3kdw h ALA 114 CO 0.05 0.29 -0.18 0.35 0.00 0.00 0.00 179.25 179.76 3kdw h PHE 115 N 0.00 -0.47 0.00 0.00 3.57 -1.65 0.67 116.94 119.06 3kdw h PHE 115 Ca -0.00 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 3kdw h PHE 115 Cb 0.54 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 3kdw h PHE 115 CO 0.00 -0.17 -0.42 -1.00 -2.23 0.00 0.00 178.31 174.49 3kdw h PRO 116 N -0.77 0.00 -0.20 6.41 0.13 -1.73 -0.78 132.00 135.07 3kdw h PRO 116 Ca -0.05 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.12 3kdw h PRO 116 Cb 0.52 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.61 3kdw h PRO 116 CO 0.09 0.42 -0.08 0.00 -0.23 0.00 0.00 178.00 178.19 3kdw h ALA 117 N 1.58 0.09 -0.52 -0.56 0.00 -1.32 0.35 119.26 118.87 3kdw h ALA 117 Ca -0.00 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3kdw h ALA 117 Cb 0.85 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3kdw h ALA 117 CO 0.05 -0.51 0.13 -0.44 0.00 0.00 0.00 179.25 178.49 3kdw h ASP 118 N -0.06 0.78 -0.35 0.00 3.32 -0.44 -2.83 116.42 116.85 3kdw h ASP 118 Ca 0.11 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 3kdw h ASP 118 Cb 0.21 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3kdw h ASP 118 CO -0.24 0.80 0.16 -0.07 -1.72 0.00 0.00 179.24 178.18 3kdw h LEU 119 N 0.72 0.51 -0.64 1.55 3.38 -0.86 -2.70 115.31 117.27 3kdw h LEU 119 Ca 0.16 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3kdw h LEU 119 Cb 0.32 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3kdw h LEU 119 CO 0.00 0.46 0.00 -1.54 0.09 0.00 0.00 178.44 177.45 3kdw n SER 120 N -4.38 0.45 0.26 -0.43 3.41 0.09 -0.80 113.62 112.21 3kdw n SER 120 Ca 0.03 0.64 0.14 0.00 -0.26 0.00 0.00 58.87 59.42 3kdw n SER 120 Cb 0.14 -0.72 0.58 0.00 -0.26 0.00 0.00 64.21 63.95 3kdw n SER 120 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3kdw h LEU 121 N 0.00 0.00 0.00 1.04 3.38 -1.55 -3.35 115.31 114.84 3kdw h LEU 121 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3kdw h LEU 121 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3kdw h LEU 121 CO 0.00 0.08 -1.06 -1.22 0.09 0.00 0.00 178.44 176.33 3kdw n TYR 122 N -3.20 0.00 -4.37 1.13 4.01 -0.52 -5.09 117.16 109.11 3kdw n TYR 122 Ca 0.01 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.52 3kdw n TYR 122 Cb 0.36 -0.04 -0.13 0.00 -0.31 0.00 0.00 39.34 39.22 3kdw n TYR 122 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3kdw s LEU 123 N -3.57 2.24 0.84 7.72 1.43 0.02 -5.07 118.68 122.29 3kdw s LEU 123 Ca -0.00 -0.60 -0.10 0.00 -1.03 0.00 0.00 54.13 52.40 3kdw s LEU 123 Cb 0.00 -0.82 0.15 0.00 0.03 0.00 0.00 46.19 45.56 3kdw s LEU 123 CO 0.04 0.06 1.17 1.51 0.23 0.00 0.00 176.35 179.37 3kdw s ASP 124 N -1.58 3.81 0.20 2.29 1.47 -1.26 -4.32 116.67 117.27 3kdw s ASP 124 Ca 0.05 0.13 -0.11 0.00 1.18 0.00 0.00 52.55 53.80 3kdw s ASP 124 Cb -0.09 -0.39 0.17 0.00 -0.34 0.00 0.00 42.92 42.27 3kdw s ASP 124 CO 0.03 -2.26 1.82 0.00 0.68 0.00 0.00 175.17 175.44 3kdw h ALA 125 N -1.12 0.80 -0.70 2.11 0.00 -1.99 -0.87 119.26 117.48 3kdw h ALA 125 Ca -0.42 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.51 3kdw h ALA 125 Cb 1.26 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 3kdw h ALA 125 CO 0.43 0.08 0.45 -0.22 0.00 0.00 0.00 179.25 179.99 3kdw h LYS 126 N 0.70 0.87 -0.52 0.00 3.64 -1.99 -1.12 116.57 118.14 3kdw h LYS 126 Ca 0.26 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.49 3kdw h LYS 126 Cb 0.08 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 3kdw h LYS 126 CO -0.13 0.57 -0.06 1.96 -2.27 0.00 0.00 179.45 179.53 3kdw h GLN 127 N 0.89 0.93 -0.45 1.90 4.20 -1.83 -1.43 115.11 119.33 3kdw h GLN 127 Ca 0.27 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 3kdw h GLN 127 Cb -0.03 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 3kdw h GLN 127 CO -0.09 0.96 0.15 0.82 -0.67 0.00 0.00 178.83 179.99 3kdw h ILE 128 N 0.85 1.22 -0.93 2.54 2.04 -0.92 -0.89 117.51 121.42 3kdw h ILE 128 Ca 0.15 -0.72 0.05 0.00 1.00 0.00 0.00 64.86 65.34 3kdw h ILE 128 Cb 0.58 0.84 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 3kdw h ILE 128 CO 0.04 0.26 0.61 0.44 0.00 0.00 0.00 178.15 179.49 3kdw h ASP 129 N 0.58 0.96 -0.42 1.72 3.32 -0.97 -1.05 116.42 120.57 3kdw h ASP 129 Ca 0.15 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.15 3kdw h ASP 129 Cb 0.25 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3kdw h ASP 129 CO -0.01 0.63 0.11 0.00 -1.72 0.00 0.00 179.24 178.26 3kdw h ALA 130 N 1.48 1.28 -0.19 3.45 0.00 -0.77 0.06 119.26 124.57 3kdw h ALA 130 Ca 0.39 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kdw h ALA 130 Cb 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3kdw h ALA 130 CO -0.14 0.50 0.11 0.28 0.00 0.00 0.00 179.25 180.00 3kdw h VAL 131 N 0.71 1.10 -0.78 0.00 2.07 -0.33 0.50 116.25 119.52 3kdw h VAL 131 Ca 0.16 -0.25 0.10 0.00 0.82 0.00 0.00 66.70 67.52 3kdw h VAL 131 Cb 0.28 0.93 -0.07 0.00 -1.52 0.00 0.00 31.29 30.90 3kdw h VAL 131 CO -0.00 0.09 0.42 0.11 0.02 0.00 0.00 177.57 178.21 3kdw h LYS 132 N 0.21 0.68 -0.54 1.57 1.57 -0.60 -2.24 116.57 117.21 3kdw h LYS 132 Ca 0.07 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 3kdw h LYS 132 Cb 0.05 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3kdw h LYS 132 CO -0.01 0.45 0.12 -0.44 -0.57 0.00 0.00 179.45 179.00 3kdw h ASP 133 N 0.70 0.84 0.00 0.86 3.32 -0.80 -2.66 116.42 118.68 3kdw h ASP 133 Ca 0.38 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3kdw h ASP 133 Cb 0.38 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3kdw h ASP 133 CO -0.26 0.86 0.00 0.61 -1.72 0.00 0.00 179.24 178.73 3kdw n GLY 134 N -0.59 0.03 0.02 2.75 0.00 0.15 -1.18 105.19 106.37 3kdw n GLY 134 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3kdw n GLY 134 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kdw n THR 136 N 1.04 0.00 -1.85 2.61 -2.24 -1.00 -4.77 114.28 108.06 3kdw n THR 136 Ca 0.00 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.58 3kdw n THR 136 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 3kdw n THR 136 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3kdw n TYR 137 N 0.00 -0.33 -2.22 4.78 4.01 -0.67 -2.24 117.16 120.50 3kdw n TYR 137 Ca 0.00 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.58 3kdw n TYR 137 Cb 0.00 -3.52 -0.02 0.00 -0.31 0.00 0.00 39.34 35.49 3kdw n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kdw n GLY 138 N -0.69 -0.08 0.26 2.72 0.00 -0.33 -4.88 105.19 102.20 3kdw n GLY 138 Ca -0.21 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.88 3kdw n GLY 138 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kdw h VAL 139 N 0.00 1.04 0.00 1.61 2.07 -1.73 -2.54 116.25 116.70 3kdw h VAL 139 Ca -0.36 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3kdw h VAL 139 Cb 1.22 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 3kdw h VAL 139 CO 0.45 0.05 0.00 0.52 0.02 0.00 0.00 177.57 178.61 3kdw n VAL 140 N -4.48 0.00 0.00 2.57 0.31 -1.26 -1.00 118.33 114.46 3kdw n VAL 140 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3kdw n VAL 140 Cb 0.12 -0.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 3kdw n VAL 140 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3kdw n VAL 142 N -0.51 0.00 -0.02 2.52 0.31 -0.96 -0.92 118.33 118.75 3kdw n VAL 142 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.16 3kdw n VAL 142 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 3kdw n VAL 142 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3kdw h THR 143 N 0.00 1.32 -0.02 2.52 2.02 -1.33 -1.74 112.91 115.67 3kdw h THR 143 Ca 0.00 -1.95 -0.00 0.00 0.77 0.00 0.00 66.41 65.23 3kdw h THR 143 Cb 0.00 2.13 -0.00 0.00 -1.74 0.00 0.00 68.15 68.54 3kdw h THR 143 CO 0.00 0.60 0.01 0.22 0.37 0.00 0.00 175.52 176.72 3kdw h TYR 144 N 0.34 0.04 -0.77 3.16 3.20 -1.25 -0.85 116.97 120.84 3kdw h TYR 144 Ca -0.06 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 3kdw h TYR 144 Cb 1.34 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.56 3kdw h TYR 144 CO 0.10 0.17 0.45 0.87 -1.64 0.00 0.00 178.16 178.11 3kdw h LYS 145 N -0.11 1.05 -0.67 1.82 1.57 -1.79 -1.82 116.57 116.63 3kdw h LYS 145 Ca 0.01 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 3kdw h LYS 145 Cb 0.15 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 3kdw h LYS 145 CO -0.00 0.75 0.30 0.00 -0.57 0.00 0.00 179.45 179.93 3kdw h ALA 146 N 1.24 0.86 -0.53 3.86 0.00 -1.24 0.10 119.26 123.54 3kdw h ALA 146 Ca 0.27 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3kdw h ALA 146 Cb -0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3kdw h ALA 146 CO -0.05 0.45 0.16 1.15 0.00 0.00 0.00 179.25 180.95 3kdw h THR 147 N 0.93 1.24 -0.04 0.00 2.02 -0.64 -2.74 112.91 113.67 3kdw h THR 147 Ca 0.23 -0.81 -0.12 0.00 0.77 0.00 0.00 66.41 66.47 3kdw h THR 147 Cb 0.15 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 3kdw h THR 147 CO -0.03 0.30 -0.53 0.58 0.37 0.00 0.00 175.52 176.21 3kdw h VAL 148 N 0.74 1.37 0.00 3.16 2.07 -1.25 -1.25 116.25 121.10 3kdw h VAL 148 Ca 0.17 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.87 3kdw h VAL 148 Cb 0.30 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 3kdw h VAL 148 CO -0.00 0.53 0.00 -0.67 0.02 0.00 0.00 177.57 177.45 3kdw n ASP 149 N -3.92 0.97 -3.24 0.57 2.03 0.01 -2.53 116.55 110.45 3kdw n ASP 149 Ca -0.02 -0.87 -0.02 0.00 0.52 0.00 0.00 54.79 54.40 3kdw n ASP 149 Cb 0.56 -0.22 -0.02 0.00 -0.72 0.00 0.00 41.12 40.72 3kdw n ASP 149 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 3kdw n ILE 151 N 0.59 0.00 0.39 5.18 5.41 -0.47 -4.96 119.36 125.50 3kdw n ILE 151 Ca 0.00 -0.40 0.13 0.00 1.00 0.00 0.00 62.75 63.48 3kdw n ILE 151 Cb 0.18 0.00 0.51 0.00 -0.71 0.00 0.00 39.64 39.62 3kdw n ILE 151 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 3kdw h PRO 152 N 7.35 0.00 -0.80 0.38 0.11 -1.77 -2.72 132.00 134.55 3kdw h PRO 152 Ca 0.00 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.94 3kdw h PRO 152 Cb 0.81 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 31.82 3kdw h PRO 152 CO 0.85 0.00 0.21 0.25 -0.21 0.00 0.00 178.00 179.10 3kdw n THR 153 N -2.35 2.45 -1.70 -1.15 -2.24 -1.26 -4.97 114.28 103.07 3kdw n THR 153 Ca 0.02 -1.29 -0.39 0.00 -2.27 0.00 0.00 64.05 60.12 3kdw n THR 153 Cb 0.24 -0.43 0.04 0.00 -2.10 0.00 0.00 70.33 68.09 3kdw n THR 153 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kdw n LEU 154 N -0.03 4.67 -4.81 3.22 4.77 -1.03 -4.96 117.00 118.84 3kdw n LEU 154 Ca 0.33 0.97 -0.33 0.00 -0.03 0.00 0.00 56.01 56.95 3kdw n LEU 154 Cb 1.19 -1.51 -0.00 0.00 -2.33 0.00 0.00 43.42 40.77 3kdw n LEU 154 CO 0.35 -0.94 0.71 -0.54 -1.33 0.00 0.00 177.39 175.65 3kdw s LYS 155 N -2.68 3.48 0.33 3.23 -0.14 -1.26 -4.86 119.74 117.84 3kdw s LYS 155 Ca 0.70 1.18 0.06 0.00 -1.36 0.00 0.00 55.97 56.56 3kdw s LYS 155 Cb -0.44 -2.06 0.72 0.00 -1.68 0.00 0.00 37.83 34.37 3kdw s LYS 155 CO 0.51 -0.68 1.86 0.93 -0.76 0.00 0.00 175.35 177.22 3kdw h GLU 156 N 0.66 0.78 0.00 1.68 4.39 -2.00 -0.63 114.58 119.47 3kdw h GLU 156 Ca -0.47 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.11 3kdw h GLU 156 Cb 1.21 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 3kdw h GLU 156 CO 0.58 0.52 -0.33 1.05 -1.16 0.00 0.00 179.01 179.67 3kdw h GLU 157 N 0.80 0.00 -0.01 2.33 9.09 -1.99 -0.72 114.58 124.09 3kdw h GLU 157 Ca 0.45 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.67 3kdw h GLU 157 Cb 0.60 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.72 3kdw h GLU 157 CO -0.22 0.33 -0.73 0.93 0.05 0.00 0.00 179.01 179.36 3kdw h GLU 158 N 0.00 0.52 -0.56 1.06 5.08 -1.53 -1.78 114.58 117.37 3kdw h GLU 158 Ca -0.00 -0.54 0.01 0.00 -1.00 0.00 0.00 59.36 57.83 3kdw h GLU 158 Cb 0.76 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 3kdw h GLU 158 CO 0.04 1.17 0.36 0.87 -1.00 0.00 0.00 179.01 180.46 3kdw h LYS 159 N 0.08 0.71 -0.70 2.33 1.57 -1.04 -0.64 116.57 118.89 3kdw h LYS 159 Ca -0.09 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3kdw h LYS 159 Cb 1.42 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 33.53 3kdw h LYS 159 CO 0.15 0.47 0.46 0.00 -0.57 0.00 0.00 179.45 179.95 3kdw h ALA 160 N 1.22 0.89 -0.44 3.86 0.00 -1.09 -2.87 119.26 120.83 3kdw h ALA 160 Ca 0.21 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 3kdw h ALA 160 Cb -0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3kdw h ALA 160 CO -0.06 0.28 -0.12 0.37 0.00 0.00 0.00 179.25 179.73 3kdw h GLN 161 N 0.92 0.85 -0.27 0.00 5.75 -0.99 -0.88 115.11 120.49 3kdw h GLN 161 Ca 0.26 -0.33 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 3kdw h GLN 161 Cb -0.08 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.43 3kdw h GLN 161 CO -0.07 0.97 0.00 -0.89 -2.65 0.00 0.00 178.83 176.19 3kdw n ILE 162 N -4.27 0.00 0.00 2.39 5.41 -0.28 -1.54 119.36 121.08 3kdw n ILE 162 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 3kdw n ILE 162 Cb 0.38 -0.07 0.00 0.00 -0.71 0.00 0.00 39.64 39.24 3kdw n ILE 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kdw n ALA 164 N 0.57 0.00 -0.24 -1.39 0.00 -0.33 -1.42 120.51 117.69 3kdw n ALA 164 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3kdw n ALA 164 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 3kdw n ALA 164 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 3kdw h TRP 165 N 0.00 1.10 -0.65 0.00 6.55 -1.54 -1.08 115.95 120.33 3kdw h TRP 165 Ca 0.00 -0.09 -0.08 0.00 0.95 0.00 0.00 58.89 59.66 3kdw h TRP 165 Cb 0.00 -0.33 -0.03 0.00 -0.86 0.00 0.00 29.16 27.95 3kdw h TRP 165 CO 0.00 0.86 0.09 -0.07 -1.05 0.00 0.00 178.44 178.27 3kdw h LEU 166 N 1.04 1.05 -0.76 -4.49 3.38 -1.50 0.12 115.31 114.15 3kdw h LEU 166 Ca 0.23 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 3kdw h LEU 166 Cb 0.26 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3kdw h LEU 166 CO -0.01 1.06 -0.13 0.58 0.09 0.00 0.00 178.44 180.03 3kdw h VAL 167 N 1.01 1.26 -0.14 1.22 2.07 -1.80 -1.00 116.25 118.88 3kdw h VAL 167 Ca 0.20 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 3kdw h VAL 167 Cb 0.46 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3kdw h VAL 167 CO 0.02 0.41 0.08 -0.08 0.02 0.00 0.00 177.57 178.01 3kdw h GLU 168 N 0.73 0.19 -0.85 1.57 4.81 -0.99 -2.38 114.58 117.66 3kdw h GLU 168 Ca 0.12 -0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.44 3kdw h GLU 168 Cb 0.62 -0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.89 3kdw h GLU 168 CO 0.04 0.20 0.48 0.00 -0.73 0.00 0.00 179.01 179.00 3kdw h ALA 169 N 0.98 1.23 -0.72 2.92 0.00 -0.67 -2.00 119.26 121.00 3kdw h ALA 169 Ca 0.05 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3kdw h ALA 169 Cb 0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3kdw h ALA 169 CO -0.01 0.07 0.41 -0.09 0.00 0.00 0.00 179.25 179.63 3kdw h ARG 170 N 0.78 0.99 -0.55 0.00 2.43 -0.94 0.14 114.38 117.23 3kdw h ARG 170 Ca 0.42 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.46 3kdw h ARG 170 Cb 0.44 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 3kdw h ARG 170 CO -0.27 0.72 0.22 1.49 -1.51 0.00 0.00 179.97 180.62 3kdw h GLU 171 N 1.00 0.78 0.12 0.20 4.57 -0.84 -2.72 114.58 117.70 3kdw h GLU 171 Ca 0.26 -0.11 -0.25 0.00 -1.18 0.00 0.00 59.36 58.07 3kdw h GLU 171 Cb 0.01 -0.14 0.03 0.00 -0.16 0.00 0.00 28.75 28.48 3kdw h GLU 171 CO -0.04 0.64 -1.07 0.74 -1.18 0.00 0.00 179.01 178.10 3kdw h PHE 172 N 0.78 0.84 0.00 0.92 0.04 -1.32 -3.36 116.94 114.84 3kdw h PHE 172 Ca 0.19 -0.55 0.00 0.00 2.80 0.00 0.00 57.97 60.41 3kdw h PHE 172 Cb 0.14 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.23 3kdw h PHE 172 CO 0.01 1.40 0.00 0.00 -0.60 0.00 0.00 178.31 179.12 3kdw n ALA 173 N -2.67 1.68 0.00 2.45 0.00 0.44 -2.85 120.51 119.56 3kdw n ALA 173 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3kdw n ALA 173 Cb 0.91 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3kdw n ALA 173 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kdw n ASP 175 N 1.88 0.00 -4.81 0.00 8.00 -1.26 -4.73 116.55 115.63 3kdw n ASP 175 Ca 0.00 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.20 3kdw n ASP 175 Cb 0.04 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.23 3kdw n ASP 175 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kdw s ALA 176 N 0.00 2.19 0.18 2.24 0.00 -1.13 -4.98 121.76 120.26 3kdw s ALA 176 Ca 0.00 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 51.71 3kdw s ALA 176 Cb 0.00 -3.08 0.05 0.00 0.00 0.00 0.00 23.12 20.09 3kdw s ALA 176 CO 0.00 -1.82 1.42 1.49 0.00 0.00 0.00 175.76 176.85 3kdw h GLU 177 N -1.15 0.17 0.00 0.00 4.81 -1.91 -3.47 114.58 113.02 3kdw h GLU 177 Ca -0.48 -0.17 0.11 0.00 -0.13 0.00 0.00 59.36 58.70 3kdw h GLU 177 Cb 1.28 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.69 3kdw h GLU 177 CO 0.60 0.90 0.49 0.27 -0.73 0.00 0.00 179.01 180.54 3kdw n ASN 178 N -3.68 -1.71 -0.14 1.04 0.23 -1.26 -4.98 115.26 104.77 3kdw n ASN 178 Ca -0.03 -1.96 -0.06 0.00 -0.53 0.00 0.00 54.58 52.00 3kdw n ASN 178 Cb 0.77 2.79 0.11 0.00 -2.08 0.00 0.00 39.78 41.37 3kdw n ASN 178 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3kdw h SER 179 N 1.82 0.85 -0.49 0.53 4.64 -1.99 -0.51 113.55 118.40 3kdw h SER 179 Ca -0.26 -0.23 -0.09 0.00 -0.47 0.00 0.00 61.79 60.74 3kdw h SER 179 Cb 1.11 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.96 3kdw h SER 179 CO 0.35 0.92 -0.02 -0.55 -0.87 0.00 0.00 176.83 176.66 3kdw h ASN 180 N 0.80 0.91 0.30 4.97 7.08 -1.99 -0.40 115.58 127.25 3kdw h ASN 180 Ca 0.15 -0.25 -0.15 0.00 -3.08 0.00 0.00 56.30 52.96 3kdw h ASN 180 Cb 0.51 -0.25 -0.01 0.00 -2.08 0.00 0.00 38.32 36.50 3kdw h ASN 180 CO 0.03 0.99 -0.60 0.11 -2.08 0.00 0.00 177.43 175.87 3kdw h LYS 181 N 0.86 0.30 -0.26 4.14 1.79 -1.88 -1.70 116.57 119.82 3kdw h LYS 181 Ca 0.15 -0.21 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 3kdw h LYS 181 Cb 0.54 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.21 3kdw h LYS 181 CO 0.03 0.82 0.11 0.87 -1.08 0.00 0.00 179.45 180.20 3kdw h LYS 182 N 0.23 0.39 -0.19 3.15 1.57 -0.75 -2.01 116.57 118.96 3kdw h LYS 182 Ca -0.01 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 3kdw h LYS 182 Cb 1.12 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 3kdw h LYS 182 CO 0.10 0.41 -0.23 0.45 -0.57 0.00 0.00 179.45 179.60 3kdw h HIS 183 N 0.28 0.36 -0.78 -1.35 3.86 -1.01 -2.42 115.15 114.09 3kdw h HIS 183 Ca 0.09 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 3kdw h HIS 183 Cb 0.16 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.50 3kdw h HIS 183 CO -0.01 0.54 0.39 0.00 0.86 0.00 0.00 177.93 179.71 3kdw h ALA 184 N 1.46 1.22 -0.33 2.45 0.00 -1.12 0.13 119.26 123.07 3kdw h ALA 184 Ca 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3kdw h ALA 184 Cb 0.57 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3kdw h ALA 184 CO 0.04 0.61 0.17 0.00 0.00 0.00 0.00 179.25 180.07 3kdw h ALA 185 N 1.33 0.42 -0.68 0.00 0.00 -0.91 -2.09 119.26 117.33 3kdw h ALA 185 Ca 0.27 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3kdw h ALA 185 Cb 0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3kdw h ALA 185 CO -0.04 -0.03 0.17 0.74 0.00 0.00 0.00 179.25 180.09 3kdw h PHE 186 N 0.40 1.12 -0.93 0.00 0.04 -1.32 -3.01 116.94 113.24 3kdw h PHE 186 Ca 0.11 -0.12 0.04 0.00 2.80 0.00 0.00 57.97 60.80 3kdw h PHE 186 Cb 0.09 -0.32 -0.05 0.00 2.20 0.00 0.00 35.95 37.87 3kdw h PHE 186 CO -0.02 0.91 0.61 0.78 -0.60 0.00 0.00 178.31 179.98 3kdw h GLY 187 N 1.07 1.34 0.33 -1.45 0.00 -0.33 0.10 103.07 104.14 3kdw h GLY 187 Ca 0.22 -0.46 0.06 0.00 0.00 0.00 0.00 47.33 47.15 3kdw h GLY 187 CO 0.00 0.39 -0.11 1.70 0.00 0.00 0.00 176.54 178.52 3kdw h LYS 188 N 1.16 -0.06 0.00 4.80 3.64 -1.25 -0.49 116.57 124.37 3kdw h LYS 188 Ca 0.37 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.63 3kdw h LYS 188 Cb 0.03 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3kdw h LYS 188 CO -0.12 -0.04 -0.62 1.88 -2.27 0.00 0.00 179.45 178.28 3kdw h TYR 189 N -0.06 0.00 -0.84 1.91 -1.99 -1.38 -1.99 116.97 112.62 3kdw h TYR 189 Ca 0.15 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.84 3kdw h TYR 189 Cb 0.28 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.98 3kdw h TYR 189 CO -0.31 0.62 0.38 0.87 -0.00 0.00 0.00 178.16 179.72 3kdw h LYS 190 N 0.00 1.22 -0.66 4.88 1.57 -0.57 -0.15 116.57 122.86 3kdw h LYS 190 Ca -0.01 -0.20 0.02 0.00 -1.87 0.00 0.00 60.65 58.60 3kdw h LYS 190 Cb 1.26 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 33.32 3kdw h LYS 190 CO 0.08 0.96 0.42 0.78 -0.57 0.00 0.00 179.45 181.12 3kdw h GLY 191 N 1.20 0.93 0.99 3.86 0.00 -0.82 -0.46 103.07 108.77 3kdw h GLY 191 Ca 0.28 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 3kdw h GLY 191 CO -0.03 0.30 0.34 -0.09 0.00 0.00 0.00 176.54 177.05 3kdw h ARG 192 N 0.84 0.83 -0.59 4.80 2.43 -0.91 -1.21 114.38 120.57 3kdw h ARG 192 Ca 0.25 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3kdw h ARG 192 Cb -0.04 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.32 3kdw h ARG 192 CO -0.08 0.62 0.37 0.82 -1.51 0.00 0.00 179.97 180.19 3kdw h ILE 193 N 0.81 1.17 0.04 1.20 2.04 -0.68 0.29 117.51 122.37 3kdw h ILE 193 Ca 0.21 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 3kdw h ILE 193 Cb 0.02 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 3kdw h ILE 193 CO -0.04 0.17 -0.02 -1.13 0.00 0.00 0.00 178.15 177.13 3kdw h ASN 194 N 0.80 -0.05 -0.48 1.72 -0.73 -0.70 -1.14 115.58 115.00 3kdw h ASN 194 Ca 0.21 -0.11 0.05 0.00 1.87 0.00 0.00 56.30 58.32 3kdw h ASN 194 Cb -0.05 0.01 -0.04 0.00 0.27 0.00 0.00 38.32 38.51 3kdw h ASN 194 CO -0.04 0.08 0.23 0.78 -0.37 0.00 0.00 177.43 178.11 3kdw h ASN 195 N -0.17 0.31 -0.39 1.15 2.35 -1.16 -1.92 115.58 115.75 3kdw h ASN 195 Ca -0.01 0.03 0.04 0.00 -0.55 0.00 0.00 56.30 55.82 3kdw h ASN 195 Cb 0.16 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.46 3kdw h ASN 195 CO 0.01 0.22 0.17 0.22 -1.65 0.00 0.00 177.43 176.40 3kdw h TYR 196 N 0.45 0.30 -0.47 1.19 3.20 -0.52 -1.21 116.97 119.92 3kdw h TYR 196 Ca 0.21 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.98 3kdw h TYR 196 Cb 0.14 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 3kdw h TYR 196 CO -0.11 0.14 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.30 3kdw h LEU 197 N 0.35 0.93 -0.59 2.82 3.38 -0.86 -0.91 115.31 120.44 3kdw h LEU 197 Ca 0.18 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3kdw h LEU 197 Cb 0.12 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3kdw h LEU 197 CO -0.15 1.09 0.30 0.28 0.09 0.00 0.00 178.44 180.04 3kdw h SER 198 N 0.81 0.76 0.18 -0.43 0.02 -1.13 -2.10 113.55 111.66 3kdw h SER 198 Ca 0.12 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3kdw h SER 198 Cb 0.72 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 3kdw h SER 198 CO 0.06 0.66 -0.12 0.11 -1.14 0.00 0.00 176.83 176.40 3kdw h LYS 199 N 0.80 0.00 0.00 3.45 1.57 -0.93 -2.42 116.57 119.04 3kdw h LYS 199 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3kdw h LYS 199 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3kdw h LYS 199 CO -0.03 0.12 0.00 -2.13 -0.57 0.00 0.00 179.45 176.84 3kdw n ARG 200 N -4.08 0.29 -0.23 3.15 3.00 -0.37 -4.91 116.66 113.51 3kdw n ARG 200 Ca -0.02 0.06 0.00 0.00 -0.00 0.00 0.00 57.85 57.89 3kdw n ARG 200 Cb 0.20 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.16 3kdw n ARG 200 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3kdw n GLY 201 N 0.81 0.69 3.75 5.14 0.00 -0.91 -5.06 105.19 109.61 3kdw n GLY 201 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3kdw n GLY 201 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kdw s TYR 202 N -2.33 3.78 -0.84 1.61 2.02 -0.84 -4.99 117.35 115.76 3kdw s TYR 202 Ca 0.00 1.78 -0.18 0.00 -0.37 0.00 0.00 57.07 58.30 3kdw s TYR 202 Cb 0.00 -3.13 0.14 0.00 -0.40 0.00 0.00 41.96 38.57 3kdw s TYR 202 CO 0.00 -0.06 0.97 0.34 -1.57 0.00 0.00 175.55 175.23 3kdw s ASP 203 N -0.75 6.57 0.38 2.29 -1.08 -1.26 -4.37 116.67 118.45 3kdw s ASP 203 Ca 0.44 -2.04 0.09 0.00 -0.52 0.00 0.00 52.55 50.52 3kdw s ASP 203 Cb -0.28 -2.34 0.77 0.00 -1.46 0.00 0.00 42.92 39.61 3kdw s ASP 203 CO 0.35 -0.98 1.92 -0.07 0.52 0.00 0.00 175.17 176.91 3kdw h LEU 204 N 9.78 0.27 0.04 -1.34 3.38 -1.94 0.44 115.31 125.94 3kdw h LEU 204 Ca 0.05 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kdw h LEU 204 Cb 1.04 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3kdw h LEU 204 CO 1.03 0.40 -0.02 0.58 0.09 0.00 0.00 178.44 180.52 3kdw h VAL 205 N 0.28 0.98 -0.51 1.22 2.07 -1.99 -0.49 116.25 117.82 3kdw h VAL 205 Ca 0.06 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 67.47 3kdw h VAL 205 Cb 0.34 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3kdw h VAL 205 CO 0.02 0.01 0.08 0.11 0.02 0.00 0.00 177.57 177.81 3kdw h LYS 206 N -0.07 0.84 -0.59 1.57 6.56 -1.84 -1.65 116.57 121.39 3kdw h LYS 206 Ca -0.01 -0.23 -0.06 0.00 -1.06 0.00 0.00 60.65 59.30 3kdw h LYS 206 Cb 0.06 -0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 31.60 3kdw h LYS 206 CO 0.01 0.83 0.14 0.93 -2.06 0.00 0.00 179.45 179.31 3kdw h GLU 207 N 0.72 0.94 -0.44 3.15 4.39 -0.79 -1.55 114.58 120.99 3kdw h GLU 207 Ca 0.15 -0.22 -0.08 0.00 0.34 0.00 0.00 59.36 59.55 3kdw h GLU 207 Cb 0.40 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 3kdw h GLU 207 CO 0.01 0.86 -0.05 -0.09 -1.16 0.00 0.00 179.01 178.58 3kdw h ARG 208 N 0.84 0.81 -0.55 2.33 2.43 -0.95 -0.33 114.38 118.97 3kdw h ARG 208 Ca 0.18 -0.29 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 3kdw h ARG 208 Cb 0.35 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 3kdw h ARG 208 CO 0.00 0.90 0.24 0.87 -1.51 0.00 0.00 179.97 180.47 3kdw h LYS 209 N 0.64 0.80 -0.39 0.20 6.56 -1.11 -1.27 116.57 122.01 3kdw h LYS 209 Ca 0.12 -0.13 -0.10 0.00 -1.06 0.00 0.00 60.65 59.47 3kdw h LYS 209 Cb 0.57 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 32.08 3kdw h LYS 209 CO 0.03 0.68 -0.19 0.00 -2.06 0.00 0.00 179.45 177.92 3kdw h ALA 210 N 1.08 0.95 -0.14 3.86 0.00 -1.13 -2.30 119.26 121.58 3kdw h ALA 210 Ca 0.18 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.76 3kdw h ALA 210 Cb 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3kdw h ALA 210 CO -0.02 0.61 0.04 2.35 0.00 0.00 0.00 179.25 182.24 3kdw h TRP 211 N 0.65 0.08 -0.82 0.00 7.01 -0.69 -1.24 115.95 120.95 3kdw h TRP 211 Ca 0.10 0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.19 3kdw h TRP 211 Cb 0.68 -0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.66 3kdw h TRP 211 CO 0.03 0.04 0.53 1.88 -2.79 0.00 0.00 178.44 178.14 3kdw h TYR 212 N 0.11 0.87 -0.40 2.65 0.05 -1.01 0.59 116.97 119.83 3kdw h TYR 212 Ca 0.06 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.84 3kdw h TYR 212 Cb 0.03 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.47 3kdw h TYR 212 CO -0.11 0.43 0.16 0.93 -1.05 0.00 0.00 178.16 178.52 3kdw h GLU 213 N 0.83 0.59 -0.89 4.88 5.08 -0.90 -1.90 114.58 122.28 3kdw h GLU 213 Ca 0.37 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 3kdw h GLU 213 Cb 0.34 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 3kdw h GLU 213 CO -0.14 0.56 0.48 0.00 -1.00 0.00 0.00 179.01 178.91 3kdw h ARG 214 N 0.50 1.25 -0.59 2.33 3.08 -0.20 0.12 114.38 120.86 3kdw h ARG 214 Ca 0.13 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3kdw h ARG 214 Cb 0.19 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 3kdw h ARG 214 CO -0.01 0.92 0.28 0.82 -1.07 0.00 0.00 179.97 180.91 3kdw h ILE 215 N 1.25 1.21 -0.47 2.04 2.04 -0.66 -1.89 117.51 121.03 3kdw h ILE 215 Ca 0.31 -0.60 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 3kdw h ILE 215 Cb 0.04 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 3kdw h ILE 215 CO -0.05 0.24 0.15 0.11 0.00 0.00 0.00 178.15 178.60 3kdw h LYS 216 N 0.80 0.73 -0.19 2.37 1.57 -0.95 -0.31 116.57 120.58 3kdw h LYS 216 Ca 0.20 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3kdw h LYS 216 Cb 0.12 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3kdw h LYS 216 CO -0.03 0.69 0.06 0.00 -0.57 0.00 0.00 179.45 179.60 3kdw h ALA 217 N 1.00 1.75 -0.06 3.86 0.00 -0.35 -2.39 119.26 123.07 3kdw h ALA 217 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kdw h ALA 217 Cb 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3kdw h ALA 217 CO -0.01 0.20 0.00 2.89 0.00 0.00 0.00 179.25 182.34 3kdw n ARG 218 N -4.44 1.73 -2.37 0.00 1.85 -0.75 -4.93 116.66 107.75 3kdw n ARG 218 Ca -0.00 -1.06 -0.02 0.00 -1.00 0.00 0.00 57.85 55.77 3kdw n ARG 218 Cb 0.13 -1.46 0.01 0.00 -1.05 0.00 0.00 32.46 30.09 3kdw n ARG 218 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kdw n GLY 219 N 1.18 0.61 0.50 2.89 0.00 -0.90 -5.10 105.19 104.37 3kdw n GLY 219 Ca 0.18 -0.52 0.06 0.00 0.00 0.00 0.00 46.02 45.75 3kdw n GLY 219 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93