#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufj s VAL 1 N 0.00 -0.04 0.08 2.03 0.11 -1.26 -5.06 120.40 116.26 1ufj s VAL 1 Ca 0.00 0.06 0.06 0.00 -2.93 0.00 0.00 61.98 59.17 1ufj s VAL 1 Cb 0.00 -0.74 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 1ufj s VAL 1 CO 0.00 0.03 -0.08 -0.76 -3.33 0.00 0.00 175.10 170.96 1ufj s LEU 2 N 1.52 3.12 0.76 2.54 1.02 -1.26 -5.09 118.68 121.30 1ufj s LEU 2 Ca -0.09 -0.31 -0.12 0.00 0.02 0.00 0.00 54.13 53.63 1ufj s LEU 2 Cb -0.07 -1.89 0.05 0.00 0.02 0.00 0.00 46.19 44.30 1ufj s LEU 2 CO -0.15 0.20 1.11 -0.94 0.02 0.00 0.00 176.35 176.58 1ufj s SER 3 N -2.07 4.92 0.30 2.29 1.04 -1.26 -4.85 113.70 114.07 1ufj s SER 3 Ca 0.21 1.14 -0.00 0.00 0.48 0.00 0.00 55.95 57.78 1ufj s SER 3 Cb -0.11 -1.87 0.48 0.00 0.10 0.00 0.00 66.02 64.62 1ufj s SER 3 CO 0.13 -1.68 1.90 -0.08 0.98 0.00 0.00 173.24 174.49 1ufj h GLU 4 N -0.89 0.85 -0.81 4.02 4.57 -2.00 -0.97 114.58 119.36 1ufj h GLU 4 Ca -0.46 -0.12 -0.00 0.00 -1.18 0.00 0.00 59.36 57.60 1ufj h GLU 4 Cb 1.27 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 29.67 1ufj h GLU 4 CO 0.62 0.68 0.50 0.78 -1.18 0.00 0.00 179.01 180.41 1ufj h GLY 5 N 0.95 1.17 1.24 1.92 0.00 -1.99 -0.53 103.07 105.83 1ufj h GLY 5 Ca 0.21 -0.48 -0.11 0.00 0.00 0.00 0.00 47.33 46.95 1ufj h GLY 5 CO -0.02 0.46 -0.16 0.83 0.00 0.00 0.00 176.54 177.65 1ufj h GLU 6 N 1.11 0.88 -0.45 4.80 5.08 -1.68 -1.88 114.58 122.44 1ufj h GLU 6 Ca 0.29 -0.33 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1ufj h GLU 6 Cb -0.06 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1ufj h GLU 6 CO -0.06 0.98 0.04 -1.49 -1.00 0.00 0.00 179.01 177.48 1ufj h TRP 7 N 0.78 0.75 -0.14 4.33 4.06 -0.72 -1.81 115.95 123.20 1ufj h TRP 7 Ca 0.12 -0.08 -0.09 0.00 2.06 0.00 0.00 58.89 60.89 1ufj h TRP 7 Cb 0.69 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.63 1ufj h TRP 7 CO 0.04 0.68 -0.32 1.96 -3.56 0.00 0.00 178.44 177.24 1ufj h GLN 8 N 0.68 0.27 -0.52 0.49 1.08 -0.70 0.11 115.11 116.51 1ufj h GLN 8 Ca 0.14 -0.11 -0.10 0.00 -1.45 0.00 0.00 58.65 57.13 1ufj h GLN 8 Cb 0.37 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 1ufj h GLN 8 CO 0.01 0.57 -0.07 -0.07 -0.95 0.00 0.00 178.83 178.32 1ufj h LEU 9 N 0.23 0.97 -0.20 1.46 3.38 -0.72 0.57 115.31 121.00 1ufj h LEU 9 Ca 0.03 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1ufj h LEU 9 Cb 0.69 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1ufj h LEU 9 CO 0.05 1.08 0.07 0.58 0.09 0.00 0.00 178.44 180.31 1ufj h VAL 10 N 0.84 1.18 0.00 1.22 2.07 -0.89 -2.37 116.25 118.30 1ufj h VAL 10 Ca 0.14 -0.55 -0.10 0.00 0.82 0.00 0.00 66.70 67.02 1ufj h VAL 10 Cb 0.63 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1ufj h VAL 10 CO 0.04 0.17 -0.46 -0.07 0.02 0.00 0.00 177.57 177.28 1ufj h LEU 11 N 0.16 0.00 -0.21 2.57 3.38 -0.89 -1.75 115.31 118.58 1ufj h LEU 11 Ca 0.07 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1ufj h LEU 11 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1ufj h LEU 11 CO -0.00 0.46 -0.06 -0.74 0.09 0.00 0.00 178.44 178.18 1ufj h HIS 12 N 0.00 0.46 -0.00 1.13 2.76 -0.75 -2.02 115.15 116.73 1ufj h HIS 12 Ca -0.00 -0.10 -0.13 0.00 -2.20 0.00 0.00 60.37 57.94 1ufj h HIS 12 Cb 0.93 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.76 1ufj h HIS 12 CO 0.00 0.66 -0.60 -0.24 -1.30 0.00 0.00 177.93 176.45 1ufj h VAL 13 N 0.13 1.43 0.00 5.26 3.04 -1.36 -2.89 116.25 121.86 1ufj h VAL 13 Ca 0.05 -2.06 -0.08 0.00 -1.01 0.00 0.00 66.70 63.60 1ufj h VAL 13 Cb 0.52 2.11 -0.01 0.00 -2.01 0.00 0.00 31.29 31.90 1ufj h VAL 13 CO 0.02 0.59 -0.37 -0.25 -1.01 0.00 0.00 177.57 176.55 1ufj h TRP 14 N 0.00 0.00 -0.22 3.17 2.91 -1.16 -1.26 115.95 119.40 1ufj h TRP 14 Ca -0.01 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.00 1ufj h TRP 14 Cb 1.07 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.70 1ufj h TRP 14 CO 0.00 0.37 0.06 0.00 -1.03 0.00 0.00 178.44 177.85 1ufj h ALA 15 N 1.63 1.70 -0.06 2.65 0.00 -1.14 0.08 119.26 124.12 1ufj h ALA 15 Ca -0.00 -0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.61 1ufj h ALA 15 Cb 0.67 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1ufj h ALA 15 CO 0.05 0.24 -0.82 0.87 0.00 0.00 0.00 179.25 179.58 1ufj h LYS 16 N 0.31 0.46 -0.83 0.00 1.57 -1.29 -2.96 116.57 113.84 1ufj h LYS 16 Ca 0.08 -0.42 -0.02 0.00 -1.87 0.00 0.00 60.65 58.41 1ufj h LYS 16 Cb 0.11 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 1ufj h LYS 16 CO -0.01 1.07 0.43 0.28 -0.57 0.00 0.00 179.45 180.65 1ufj h VAL 17 N 0.29 1.25 0.00 0.50 2.07 -0.52 -2.26 116.25 117.59 1ufj h VAL 17 Ca -0.05 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1ufj h VAL 17 Cb 1.43 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1ufj h VAL 17 CO 0.15 0.29 0.00 -0.62 0.02 0.00 0.00 177.57 177.41 1ufj n GLU 18 N -4.35 0.14 0.05 1.57 1.02 -0.11 -1.42 120.64 117.54 1ufj n GLU 18 Ca 0.08 0.52 0.13 0.00 -0.02 0.00 0.00 57.16 57.87 1ufj n GLU 18 Cb 0.12 -1.85 0.50 0.00 -0.02 0.00 0.00 31.44 30.19 1ufj n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ufj n ALA 19 N -1.73 2.34 -2.76 0.62 0.00 -0.85 -4.22 120.51 113.91 1ufj n ALA 19 Ca 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.28 1ufj n ALA 19 Cb 0.11 -1.46 0.07 0.00 0.00 0.00 0.00 19.45 18.18 1ufj n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ufj n ASP 20 N -1.87 -2.43 -0.03 0.00 2.03 -0.51 -5.03 116.55 108.71 1ufj n ASP 20 Ca 0.06 -3.53 -0.09 0.00 0.52 0.00 0.00 54.79 51.76 1ufj n ASP 20 Cb 0.38 1.79 -0.03 0.00 -0.72 0.00 0.00 41.12 42.55 1ufj n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1ufj h VAL 21 N 2.93 0.71 -0.85 5.18 2.07 -1.58 -1.90 116.25 122.80 1ufj h VAL 21 Ca -0.11 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.44 1ufj h VAL 21 Cb 1.07 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 1ufj h VAL 21 CO 0.22 0.00 0.55 0.00 0.02 0.00 0.00 177.57 178.36 1ufj h ALA 22 N 1.08 1.13 -0.35 1.67 0.00 -1.91 0.85 119.26 121.72 1ufj h ALA 22 Ca 0.10 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1ufj h ALA 22 Cb 0.23 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1ufj h ALA 22 CO -0.23 0.38 0.06 0.78 0.00 0.00 0.00 179.25 180.24 1ufj h GLY 23 N 1.06 0.62 1.04 0.00 0.00 -1.87 -1.20 103.07 102.73 1ufj h GLY 23 Ca 0.34 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 1ufj h GLY 23 CO -0.12 0.38 0.17 0.45 0.00 0.00 0.00 176.54 177.42 1ufj h HIS 24 N 0.41 1.12 -0.67 5.60 3.86 -1.07 -2.07 115.15 122.33 1ufj h HIS 24 Ca 0.11 -0.13 0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1ufj h HIS 24 Cb 0.35 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 28.47 1ufj h HIS 24 CO 0.02 0.92 0.44 0.78 0.86 0.00 0.00 177.93 180.95 1ufj h GLY 25 N 1.00 0.95 0.84 2.45 0.00 -0.62 -0.01 103.07 107.68 1ufj h GLY 25 Ca 0.21 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 1ufj h GLY 25 CO 0.00 0.35 0.03 1.46 0.00 0.00 0.00 176.54 178.38 1ufj h GLN 26 N 0.91 0.11 -0.75 4.80 4.20 -1.04 -1.36 115.11 121.97 1ufj h GLN 26 Ca 0.25 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.98 1ufj h GLN 26 Cb -0.10 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.61 1ufj h GLN 26 CO -0.05 0.25 0.46 -0.44 -0.67 0.00 0.00 178.83 178.38 1ufj h ASP 27 N -0.06 0.73 -0.11 1.46 3.45 -1.12 0.13 116.42 120.90 1ufj h ASP 27 Ca 0.02 0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.48 1ufj h ASP 27 Cb 0.19 -0.14 -0.00 0.00 -0.56 0.00 0.00 39.33 38.81 1ufj h ASP 27 CO -0.00 0.49 0.00 0.40 -1.57 0.00 0.00 179.24 178.56 1ufj h ILE 28 N 0.87 1.25 -0.36 0.35 2.04 -0.85 -1.42 117.51 119.39 1ufj h ILE 28 Ca 0.32 -0.79 -0.11 0.00 1.00 0.00 0.00 64.86 65.28 1ufj h ILE 28 Cb 0.10 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1ufj h ILE 28 CO -0.15 0.23 -0.22 -0.07 0.00 0.00 0.00 178.15 177.94 1ufj h LEU 29 N -0.07 0.70 -0.58 1.44 3.38 -1.06 -0.55 115.31 118.57 1ufj h LEU 29 Ca 0.03 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 1ufj h LEU 29 Cb 0.35 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1ufj h LEU 29 CO 0.01 0.90 0.18 0.40 0.09 0.00 0.00 178.44 180.02 1ufj h ILE 30 N 0.61 1.24 -0.38 1.22 2.04 -0.93 0.73 117.51 122.04 1ufj h ILE 30 Ca 0.09 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1ufj h ILE 30 Cb 0.70 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1ufj h ILE 30 CO 0.05 0.30 0.24 -0.09 0.00 0.00 0.00 178.15 178.65 1ufj h ARG 31 N 0.81 0.50 -0.13 2.37 9.65 -0.99 -0.30 114.38 126.30 1ufj h ARG 31 Ca 0.19 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 59.04 1ufj h ARG 31 Cb 0.28 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 1ufj h ARG 31 CO -0.01 0.36 0.05 1.25 2.80 0.00 0.00 179.97 184.42 1ufj h LEU 32 N 0.50 0.06 -1.01 3.80 5.85 -0.70 -0.10 115.31 123.71 1ufj h LEU 32 Ca 0.14 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 1ufj h LEU 32 Cb -0.02 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1ufj h LEU 32 CO -0.03 0.05 -0.43 -0.26 -0.34 0.00 0.00 178.44 177.43 1ufj h PHE 33 N 0.11 0.15 0.06 1.25 0.04 -0.65 0.86 116.94 118.77 1ufj h PHE 33 Ca 0.05 -0.04 -0.25 0.00 2.80 0.00 0.00 57.97 60.53 1ufj h PHE 33 Cb 0.02 -0.03 0.01 0.00 2.20 0.00 0.00 35.95 38.15 1ufj h PHE 33 CO -0.10 0.54 -1.09 0.87 -0.60 0.00 0.00 178.31 177.94 1ufj h LYS 34 N 0.11 0.37 -0.03 1.51 1.79 -0.94 -2.74 116.57 116.63 1ufj h LYS 34 Ca 0.01 -0.48 -0.24 0.00 -2.18 0.00 0.00 60.65 57.76 1ufj h LYS 34 Cb 0.81 0.16 0.01 0.00 -1.58 0.00 0.00 32.23 31.63 1ufj h LYS 34 CO 0.06 1.17 -0.93 0.77 -1.08 0.00 0.00 179.45 179.44 1ufj h SER 35 N 0.17 0.73 -2.35 0.86 0.02 -0.85 -3.40 113.55 108.73 1ufj h SER 35 Ca -0.11 -0.56 -0.59 0.00 -0.84 0.00 0.00 61.79 59.69 1ufj h SER 35 Cb 1.76 -0.22 -0.38 0.00 0.14 0.00 0.00 62.40 63.70 1ufj h SER 35 CO 0.19 1.35 -0.98 1.41 -1.14 0.00 0.00 176.83 177.66 1ufj n HIS 36 N -3.82 -0.80 -0.42 3.45 8.25 0.28 -5.01 115.22 117.15 1ufj n HIS 36 Ca -0.08 -3.34 0.37 0.00 -0.26 0.00 0.00 57.72 54.40 1ufj n HIS 36 Cb 0.82 0.20 0.70 0.00 1.12 0.00 0.00 29.99 32.84 1ufj n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1ufj h PRO 37 N 5.50 0.09 0.00 -0.41 0.11 -1.69 -1.52 132.00 134.08 1ufj h PRO 37 Ca 0.25 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.35 1ufj h PRO 37 Cb 0.90 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 1ufj h PRO 37 CO 0.39 0.06 -0.05 1.05 -0.21 0.00 0.00 178.00 179.24 1ufj h GLU 38 N 0.09 0.00 0.00 1.05 9.09 -1.93 -2.13 114.58 120.75 1ufj h GLU 38 Ca 0.69 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 60.06 1ufj h GLU 38 Cb 2.46 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 29.56 1ufj h GLU 38 CO -0.14 0.05 -0.16 1.79 0.05 0.00 0.00 179.01 180.60 1ufj h THR 39 N 0.00 0.72 0.00 -1.06 1.35 -1.62 -2.29 112.91 110.01 1ufj h THR 39 Ca -0.00 -0.64 -0.04 0.00 -0.55 0.00 0.00 66.41 65.17 1ufj h THR 39 Cb 0.08 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 67.89 1ufj h THR 39 CO 0.01 0.16 -0.20 0.25 -0.25 0.00 0.00 175.52 175.48 1ufj h LEU 40 N 0.00 0.00 -1.96 3.87 5.85 -1.56 -2.67 115.31 118.84 1ufj h LEU 40 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ufj h LEU 40 Cb 0.38 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1ufj h LEU 40 CO 0.02 0.20 0.00 -0.33 -0.34 0.00 0.00 178.44 177.99 1ufj h GLU 41 N 0.00 0.00 0.00 1.25 5.08 -1.55 -2.06 114.58 117.31 1ufj h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ufj h GLU 41 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1ufj h GLU 41 CO 0.03 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.67 1ufj n LYS 42 N -2.61 0.22 -3.87 2.33 4.76 -1.01 -4.53 118.16 113.45 1ufj n LYS 42 Ca -0.02 0.02 -0.33 0.00 -2.87 0.00 0.00 58.31 55.11 1ufj n LYS 42 Cb 0.08 -1.50 -0.13 0.00 -1.84 0.00 0.00 35.03 31.64 1ufj n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1ufj s PHE 43 N -2.77 3.39 0.65 2.13 0.40 -0.77 -4.94 117.98 116.07 1ufj s PHE 43 Ca 0.21 -2.93 0.40 0.00 -0.60 0.00 0.00 56.93 54.01 1ufj s PHE 43 Cb 0.19 -3.00 2.25 0.00 0.51 0.00 0.00 43.02 42.97 1ufj s PHE 43 CO 0.47 -0.83 2.34 -0.44 0.70 0.00 0.00 175.22 177.46 1ufj h ASP 44 N 7.01 0.00 1.15 1.36 3.45 -1.84 0.46 116.42 128.00 1ufj h ASP 44 Ca -0.06 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.32 1ufj h ASP 44 Cb 0.95 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.71 1ufj h ASP 44 CO 0.67 0.00 -0.39 0.03 -1.57 0.00 0.00 179.24 177.98 1ufj h ARG 45 N 0.00 0.00 0.00 3.56 3.08 -1.95 -3.38 114.38 115.69 1ufj h ARG 45 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1ufj h ARG 45 Cb 0.01 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 29.94 1ufj h ARG 45 CO -0.00 0.39 -0.49 1.97 -1.07 0.00 0.00 179.97 180.78 1ufj n PHE 46 N -3.37 0.00 0.55 3.04 -1.74 -0.85 -4.86 117.46 110.23 1ufj n PHE 46 Ca 0.01 -0.20 0.06 0.00 -0.56 0.00 0.00 57.45 56.76 1ufj n PHE 46 Cb 0.59 0.08 0.31 0.00 1.52 0.00 0.00 39.48 41.97 1ufj n PHE 46 CO 0.00 0.00 0.00 0.36 -0.56 0.00 0.00 176.76 176.56 1ufj n LYS 47 N 0.12 0.12 -0.23 3.97 2.85 0.16 -1.28 118.16 123.87 1ufj n LYS 47 Ca -0.03 0.20 0.07 0.00 -1.05 0.00 0.00 58.31 57.51 1ufj n LYS 47 Cb 0.76 -1.50 0.21 0.00 -0.65 0.00 0.00 35.03 33.85 1ufj n LYS 47 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1ufj n HIS 48 N -1.36 0.60 -2.73 5.58 8.25 -1.26 -4.86 115.22 119.44 1ufj n HIS 48 Ca 0.05 -0.30 -0.41 0.00 -0.26 0.00 0.00 57.72 56.80 1ufj n HIS 48 Cb 0.12 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.18 1ufj n HIS 48 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1ufj s LEU 49 N -1.02 4.51 0.09 2.41 1.43 -0.40 -4.96 118.68 120.75 1ufj s LEU 49 Ca 0.31 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 55.21 1ufj s LEU 49 Cb 0.16 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.79 1ufj s LEU 49 CO 0.21 -0.04 0.00 0.29 0.23 0.00 0.00 176.35 177.04 1ufj n LYS 50 N 2.67 0.00 -1.81 1.70 5.02 -1.26 -5.01 118.16 119.46 1ufj n LYS 50 Ca 0.02 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.00 1ufj n LYS 50 Cb 0.49 -0.32 0.03 0.00 -0.02 0.00 0.00 35.03 35.21 1ufj n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1ufj s THR 51 N -1.73 4.14 0.37 -0.18 -4.23 -1.26 -4.93 115.64 107.81 1ufj s THR 51 Ca 0.00 0.69 0.15 0.00 -1.18 0.00 0.00 61.69 61.35 1ufj s THR 51 Cb 0.00 -3.63 0.13 0.00 1.34 0.00 0.00 72.50 70.33 1ufj s THR 51 CO 0.00 -0.91 1.86 -0.08 -0.54 0.00 0.00 174.62 174.95 1ufj h GLU 52 N -0.53 0.00 -0.45 3.99 4.81 -1.99 -2.01 114.58 118.41 1ufj h GLU 52 Ca -0.44 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.74 1ufj h GLU 52 Cb 1.22 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1ufj h GLU 52 CO 0.62 0.33 0.12 0.00 -0.73 0.00 0.00 179.01 179.34 1ufj h ALA 53 N 1.67 0.59 -0.57 2.92 0.00 -1.98 0.69 119.26 122.57 1ufj h ALA 53 Ca -0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1ufj h ALA 53 Cb 0.61 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1ufj h ALA 53 CO 0.04 0.26 0.21 0.93 0.00 0.00 0.00 179.25 180.69 1ufj h GLU 54 N 0.59 0.87 -0.74 0.00 5.08 -1.84 -1.79 114.58 116.74 1ufj h GLU 54 Ca 0.14 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1ufj h GLU 54 Cb 0.31 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1ufj h GLU 54 CO 0.00 0.76 0.26 0.52 -1.00 0.00 0.00 179.01 179.55 1ufj h MET 55 N 0.79 1.14 0.00 2.33 2.86 -1.09 -1.84 114.93 119.11 1ufj h MET 55 Ca 0.19 -0.23 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 1ufj h MET 55 Cb 0.24 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1ufj h MET 55 CO -0.01 0.95 -0.22 0.87 1.06 0.00 0.00 176.91 179.56 1ufj h LYS 56 N 1.09 0.00 0.00 1.72 1.57 -0.61 -2.92 116.57 117.42 1ufj h LYS 56 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1ufj h LYS 56 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1ufj h LYS 56 CO -0.01 0.22 -0.60 0.00 -0.57 0.00 0.00 179.45 178.48 1ufj n ALA 57 N -2.25 3.73 -2.37 3.86 0.00 -0.70 -4.92 120.51 117.86 1ufj n ALA 57 Ca -0.00 -0.39 -0.43 0.00 0.00 0.00 0.00 53.44 52.62 1ufj n ALA 57 Cb 0.39 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 1ufj n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ufj s SER 58 N -3.07 6.93 0.19 0.00 0.15 -0.73 -4.91 113.70 112.26 1ufj s SER 58 Ca 0.10 1.81 -0.02 0.00 0.70 0.00 0.00 55.95 58.54 1ufj s SER 58 Cb 0.17 -2.54 0.11 0.00 -1.71 0.00 0.00 66.02 62.04 1ufj s SER 58 CO 0.73 -0.74 1.48 -0.08 1.20 0.00 0.00 173.24 175.84 1ufj h GLU 59 N 8.15 0.46 -0.59 5.44 4.57 -1.91 -2.43 114.58 128.27 1ufj h GLU 59 Ca -0.30 -0.33 -0.05 0.00 -1.18 0.00 0.00 59.36 57.50 1ufj h GLU 59 Cb 1.13 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.75 1ufj h GLU 59 CO 0.94 0.94 0.18 -0.44 -1.18 0.00 0.00 179.01 179.45 1ufj h ASP 60 N 0.34 0.87 -0.36 1.04 3.32 -1.94 0.43 116.42 120.11 1ufj h ASP 60 Ca -0.01 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 56.78 1ufj h ASP 60 Cb 1.18 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1ufj h ASP 60 CO 0.11 0.85 0.04 0.25 -1.72 0.00 0.00 179.24 178.78 1ufj h LEU 61 N 0.84 0.59 -0.36 1.55 6.46 -1.87 -1.30 115.31 121.22 1ufj h LEU 61 Ca 0.19 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 1ufj h LEU 61 Cb 0.30 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.05 1ufj h LEU 61 CO -0.00 0.72 0.24 0.50 -0.62 0.00 0.00 178.44 179.27 1ufj h LYS 62 N 0.45 0.48 -0.68 1.25 3.64 -1.21 -1.11 116.57 119.38 1ufj h LYS 62 Ca 0.11 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1ufj h LYS 62 Cb 0.39 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 1ufj h LYS 62 CO 0.01 0.33 0.41 0.87 -2.27 0.00 0.00 179.45 178.80 1ufj h LYS 63 N 0.49 0.93 -0.46 1.90 1.57 -0.78 -2.23 116.57 118.00 1ufj h LYS 63 Ca 0.13 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1ufj h LYS 63 Cb -0.04 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 1ufj h LYS 63 CO -0.03 0.67 -0.01 1.25 -0.57 0.00 0.00 179.45 180.76 1ufj h HIS 64 N 0.93 0.80 -0.75 -1.35 2.76 -0.88 -1.72 115.15 114.95 1ufj h HIS 64 Ca 0.24 -0.11 -0.02 0.00 -2.20 0.00 0.00 60.37 58.28 1ufj h HIS 64 Cb -0.02 -0.22 -0.04 0.00 1.55 0.00 0.00 27.41 28.69 1ufj h HIS 64 CO -0.01 0.75 0.39 0.78 -1.30 0.00 0.00 177.93 178.54 1ufj h GLY 65 N 0.96 1.12 1.03 5.26 0.00 -0.73 -0.03 103.07 110.68 1ufj h GLY 65 Ca 0.14 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 46.86 1ufj h GLY 65 CO 0.02 0.49 -0.06 -2.08 0.00 0.00 0.00 176.54 174.91 1ufj h VAL 66 N 1.05 1.27 0.02 4.60 2.07 -0.93 -1.49 116.25 122.84 1ufj h VAL 66 Ca 0.26 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 1ufj h VAL 66 Cb 0.05 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1ufj h VAL 66 CO -0.04 0.41 -0.01 0.74 0.02 0.00 0.00 177.57 178.69 1ufj h THR 67 N 0.76 1.02 0.03 2.57 2.02 -0.71 -0.42 112.91 118.17 1ufj h THR 67 Ca 0.13 -0.12 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1ufj h THR 67 Cb 0.59 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 1ufj h THR 67 CO 0.04 0.03 -0.12 0.58 0.37 0.00 0.00 175.52 176.42 1ufj h VAL 68 N -0.09 0.71 -0.01 3.16 2.07 -0.94 -1.49 116.25 119.66 1ufj h VAL 68 Ca -0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 1ufj h VAL 68 Cb 0.08 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1ufj h VAL 68 CO 0.01 0.00 -0.43 -0.07 0.02 0.00 0.00 177.57 177.09 1ufj h LEU 69 N -0.21 0.03 -0.37 2.57 3.38 -1.21 0.14 115.31 119.64 1ufj h LEU 69 Ca 0.03 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 1ufj h LEU 69 Cb 0.25 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1ufj h LEU 69 CO -0.10 0.46 -0.23 0.74 0.09 0.00 0.00 178.44 179.40 1ufj h THR 70 N 0.03 1.28 -0.29 0.22 2.02 -0.87 0.40 112.91 115.70 1ufj h THR 70 Ca -0.00 -1.38 -0.10 0.00 0.77 0.00 0.00 66.41 65.70 1ufj h THR 70 Cb 0.77 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 1ufj h THR 70 CO 0.06 0.46 -0.22 1.23 0.37 0.00 0.00 175.52 177.41 1ufj h GLY 71 N 0.61 0.71 1.03 2.16 0.00 -1.03 -2.56 103.07 104.00 1ufj h GLY 71 Ca 0.08 -0.69 -0.07 0.00 0.00 0.00 0.00 47.33 46.64 1ufj h GLY 71 CO 0.06 0.63 0.12 -2.00 0.00 0.00 0.00 176.54 175.35 1ufj h LEU 72 N 0.40 0.96 -0.98 3.11 5.85 -0.93 -2.61 115.31 121.11 1ufj h LEU 72 Ca 0.05 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.54 1ufj h LEU 72 Cb 0.77 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 1ufj h LEU 72 CO 0.06 0.96 0.65 1.23 -0.34 0.00 0.00 178.44 181.00 1ufj h GLY 73 N 0.91 1.39 1.09 3.75 0.00 -0.87 0.22 103.07 109.55 1ufj h GLY 73 Ca 0.19 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 1ufj h GLY 73 CO 0.01 0.49 0.37 0.00 0.00 0.00 0.00 176.54 177.40 1ufj h ALA 74 N 1.37 1.13 -0.18 3.60 0.00 -1.19 -2.14 119.26 121.84 1ufj h ALA 74 Ca 0.37 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1ufj h ALA 74 Cb -0.12 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.35 1ufj h ALA 74 CO -0.09 0.65 -0.27 0.82 0.00 0.00 0.00 179.25 180.36 1ufj h ILE 75 N 1.15 1.34 -0.78 0.00 2.04 -1.01 -3.25 117.51 117.00 1ufj h ILE 75 Ca 0.27 -1.48 -0.01 0.00 1.00 0.00 0.00 64.86 64.64 1ufj h ILE 75 Cb 0.15 1.87 -0.04 0.00 -0.74 0.00 0.00 36.82 38.06 1ufj h ILE 75 CO -0.03 0.45 0.45 -0.07 0.00 0.00 0.00 178.15 178.94 1ufj h LEU 76 N 0.15 0.96 -1.10 1.44 3.38 -0.81 -2.20 115.31 117.12 1ufj h LEU 76 Ca 0.02 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1ufj h LEU 76 Cb 0.84 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1ufj h LEU 76 CO 0.06 0.76 0.00 0.11 0.09 0.00 0.00 178.44 179.46 1ufj h LYS 77 N 1.09 0.00 -0.00 1.13 1.57 -1.42 -1.04 116.57 117.90 1ufj h LYS 77 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1ufj h LYS 77 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1ufj h LYS 77 CO -0.05 0.00 -0.08 1.63 -0.57 0.00 0.00 179.45 180.38 1ufj n LYS 78 N -2.31 0.45 -4.01 3.15 4.76 -0.83 -4.95 118.16 114.42 1ufj n LYS 78 Ca 0.00 -0.10 -0.26 0.00 -2.87 0.00 0.00 58.31 55.09 1ufj n LYS 78 Cb 0.15 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.81 1ufj n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1ufj n LYS 79 N -1.19 -2.98 0.00 1.97 5.02 -0.39 -1.80 118.16 118.79 1ufj n LYS 79 Ca 0.13 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 1ufj n LYS 79 Cb 0.28 -4.42 0.00 0.00 -0.02 0.00 0.00 35.03 30.86 1ufj n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ufj n GLY 80 N -2.05 3.21 2.76 0.72 0.00 -1.26 -4.94 105.19 103.64 1ufj n GLY 80 Ca -0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 1ufj n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ufj n HIS 81 N -1.05 2.59 -1.11 1.61 8.25 -0.74 -4.68 115.22 120.08 1ufj n HIS 81 Ca 0.00 -2.66 0.07 0.00 -0.26 0.00 0.00 57.72 54.87 1ufj n HIS 81 Cb 0.00 -1.50 0.22 0.00 1.12 0.00 0.00 29.99 29.82 1ufj n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1ufj n HIS 82 N 1.55 0.69 -0.21 4.41 1.44 -1.26 -4.77 115.22 117.06 1ufj n HIS 82 Ca 0.42 -1.05 0.00 0.00 -2.01 0.00 0.00 57.72 55.08 1ufj n HIS 82 Cb 0.30 -0.30 0.12 0.00 0.12 0.00 0.00 29.99 30.23 1ufj n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 1ufj h GLU 83 N 1.17 0.46 -0.91 -1.40 4.22 -1.98 0.28 114.58 116.42 1ufj h GLU 83 Ca 0.04 -0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.45 1ufj h GLU 83 Cb 1.35 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.45 1ufj h GLU 83 CO 0.19 0.30 0.56 0.00 -2.18 0.00 0.00 179.01 177.88 1ufj h ALA 84 N 1.42 1.28 0.01 2.92 0.00 -2.01 -1.30 119.26 121.57 1ufj h ALA 84 Ca 0.32 -0.09 -0.25 0.00 0.00 0.00 0.00 54.91 54.88 1ufj h ALA 84 Cb 0.37 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1ufj h ALA 84 CO -0.29 0.63 -1.35 0.93 0.00 0.00 0.00 179.25 179.17 1ufj h GLU 85 N 1.24 0.01 0.16 0.00 3.07 -1.78 -3.38 114.58 113.91 1ufj h GLU 85 Ca 0.33 -0.02 -0.29 0.00 -0.50 0.00 0.00 59.36 58.87 1ufj h GLU 85 Cb -0.07 0.01 0.01 0.00 -0.84 0.00 0.00 28.75 27.86 1ufj h GLU 85 CO -0.06 0.78 -1.32 1.25 -1.40 0.00 0.00 179.01 178.26 1ufj h LEU 86 N 0.00 0.54 -0.19 1.33 6.46 -0.29 -3.35 115.31 119.81 1ufj h LEU 86 Ca -0.15 -0.58 0.05 0.00 -0.12 0.00 0.00 57.88 57.09 1ufj h LEU 86 Cb 1.89 -0.17 -0.07 0.00 -0.73 0.00 0.00 40.66 41.58 1ufj h LEU 86 CO 0.11 1.45 -0.31 0.50 -0.62 0.00 0.00 178.44 179.57 1ufj h LYS 87 N 0.09 -0.33 -0.95 1.25 3.64 -1.42 -0.36 116.57 118.50 1ufj h LYS 87 Ca -0.17 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1ufj h LYS 87 Cb 2.03 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 33.87 1ufj h LYS 87 CO 0.22 -0.22 0.62 -1.00 -2.27 0.00 0.00 179.45 176.80 1ufj h PRO 88 N -0.35 1.18 -0.32 1.90 0.13 -1.78 -1.41 132.00 131.35 1ufj h PRO 88 Ca 0.11 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 1ufj h PRO 88 Cb 0.53 -0.27 -0.01 0.00 0.13 0.00 0.00 31.00 31.38 1ufj h PRO 88 CO -0.39 0.78 0.15 1.25 -0.23 0.00 0.00 178.00 179.57 1ufj h LEU 89 N 1.22 0.41 0.30 1.56 6.46 -1.53 -1.66 115.31 122.06 1ufj h LEU 89 Ca 0.37 -0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.99 1ufj h LEU 89 Cb -0.03 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 39.80 1ufj h LEU 89 CO -0.11 0.42 -0.14 0.00 -0.62 0.00 0.00 178.44 177.99 1ufj h ALA 90 N 1.01 -0.40 -0.89 1.25 0.00 -0.61 -1.16 119.26 118.46 1ufj h ALA 90 Ca 0.11 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1ufj h ALA 90 Cb 0.11 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1ufj h ALA 90 CO -0.01 -0.69 0.56 0.37 0.00 0.00 0.00 179.25 179.48 1ufj h GLN 91 N -0.48 1.03 -0.22 0.00 5.75 -1.26 -1.06 115.11 118.87 1ufj h GLN 91 Ca -0.04 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.38 1ufj h GLN 91 Cb 0.36 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 1ufj h GLN 91 CO 0.07 0.68 0.08 0.66 -2.65 0.00 0.00 178.83 177.67 1ufj h SER 92 N 1.06 0.30 0.40 -0.69 4.64 -1.17 -1.29 113.55 116.80 1ufj h SER 92 Ca 0.37 -0.18 -0.05 0.00 -0.47 0.00 0.00 61.79 61.46 1ufj h SER 92 Cb 0.10 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1ufj h SER 92 CO -0.15 0.40 -0.24 0.45 -0.87 0.00 0.00 176.83 176.42 1ufj h HIS 93 N 0.19 0.00 0.02 4.77 3.86 -0.80 -0.27 115.15 122.92 1ufj h HIS 93 Ca 0.07 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.17 1ufj h HIS 93 Cb 0.20 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 1ufj h HIS 93 CO -0.01 0.24 -0.61 0.00 0.86 0.00 0.00 177.93 178.42 1ufj h ALA 94 N 1.76 0.10 0.01 2.45 0.00 -1.03 0.80 119.26 123.34 1ufj h ALA 94 Ca -0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 54.91 53.80 1ufj h ALA 94 Cb 0.51 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 1ufj h ALA 94 CO 0.03 0.34 -1.80 0.25 0.00 0.00 0.00 179.25 178.07 1ufj n THR 95 N -4.45 1.59 -0.14 0.00 -2.24 -0.50 -3.80 114.28 104.75 1ufj n THR 95 Ca -0.19 -0.80 -0.29 0.00 -2.27 0.00 0.00 64.05 60.51 1ufj n THR 95 Cb 0.61 -1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 67.73 1ufj n THR 95 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ufj n LYS 96 N -3.03 0.59 -0.02 -0.78 4.81 -0.23 -4.71 118.16 114.78 1ufj n LYS 96 Ca -0.19 0.27 -0.05 0.00 -0.87 0.00 0.00 58.31 57.47 1ufj n LYS 96 Cb 1.06 -1.51 -0.13 0.00 0.02 0.00 0.00 35.03 34.48 1ufj n LYS 96 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1ufj n HIS 97 N -4.18 0.70 -3.35 5.64 8.25 -0.49 -5.02 115.22 116.76 1ufj n HIS 97 Ca -0.53 0.24 -0.18 0.00 -0.26 0.00 0.00 57.72 56.99 1ufj n HIS 97 Cb 0.89 -1.06 0.07 0.00 1.12 0.00 0.00 29.99 31.00 1ufj n HIS 97 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ufj n LYS 98 N -2.87 -2.84 -3.38 -0.41 5.02 0.25 -4.97 118.16 108.96 1ufj n LYS 98 Ca -0.17 0.80 -0.40 0.00 -2.02 0.00 0.00 58.31 56.52 1ufj n LYS 98 Cb 0.97 -5.59 -0.09 0.00 -0.02 0.00 0.00 35.03 30.30 1ufj n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ufj s ILE 99 N -3.41 5.15 0.63 -0.18 -1.09 0.58 -5.00 121.20 117.88 1ufj s ILE 99 Ca 0.38 0.31 -0.17 0.00 -2.23 0.00 0.00 60.65 58.93 1ufj s ILE 99 Cb -0.06 -3.78 -0.01 0.00 -1.58 0.00 0.00 42.46 37.02 1ufj s ILE 99 CO 0.76 0.00 1.18 -2.84 -1.23 0.00 0.00 174.94 172.81 1ufj s PRO 100 N 2.08 2.78 0.36 2.79 0.02 -1.26 -4.81 135.00 136.96 1ufj s PRO 100 Ca 0.14 1.70 0.06 0.00 0.02 0.00 0.00 61.00 62.92 1ufj s PRO 100 Cb -0.16 -1.92 0.73 0.00 0.02 0.00 0.00 34.50 33.18 1ufj s PRO 100 CO 0.11 -1.32 1.95 0.82 -0.33 0.00 0.00 177.00 178.22 1ufj h ILE 101 N 0.48 1.01 -0.28 2.83 2.04 0.31 -0.57 117.51 123.32 1ufj h ILE 101 Ca -0.49 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.13 1ufj h ILE 101 Cb 1.28 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1ufj h ILE 101 CO 0.54 0.14 0.19 0.07 0.00 0.00 0.00 178.15 179.09 1ufj h LYS 102 N 0.77 0.25 -0.26 2.37 2.10 -1.91 -0.29 116.57 119.59 1ufj h LYS 102 Ca 0.33 -0.02 -0.14 0.00 -2.00 0.00 0.00 60.65 58.83 1ufj h LYS 102 Cb 0.30 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.56 1ufj h LYS 102 CO -0.12 0.17 -0.40 1.88 -2.00 0.00 0.00 179.45 178.99 1ufj h TYR 103 N 0.26 0.73 -0.17 0.07 -1.99 -1.46 -1.43 116.97 112.98 1ufj h TYR 103 Ca 0.12 -0.21 -0.08 0.00 2.00 0.00 0.00 58.73 60.56 1ufj h TYR 103 Cb 0.14 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 38.70 1ufj h TYR 103 CO -0.00 0.91 -0.24 -0.07 -0.00 0.00 0.00 178.16 178.76 1ufj h LEU 104 N 0.51 0.30 -0.53 3.88 3.38 -0.96 -1.20 115.31 120.68 1ufj h LEU 104 Ca 0.04 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 1ufj h LEU 104 Cb 0.91 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1ufj h LEU 104 CO 0.08 0.54 -0.16 -0.33 0.09 0.00 0.00 178.44 178.67 1ufj h GLU 105 N 0.27 1.03 -0.54 1.13 5.08 -0.69 -2.02 114.58 118.85 1ufj h GLU 105 Ca 0.04 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 57.95 1ufj h GLU 105 Cb 0.57 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1ufj h GLU 105 CO 0.04 1.10 0.14 0.74 -1.00 0.00 0.00 179.01 180.02 1ufj h PHE 106 N 0.90 0.90 0.00 4.33 0.04 -0.60 -2.02 116.94 120.48 1ufj h PHE 106 Ca 0.13 -0.10 -0.09 0.00 2.80 0.00 0.00 57.97 60.70 1ufj h PHE 106 Cb 0.74 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 1ufj h PHE 106 CO 0.05 0.78 -0.45 0.97 -0.60 0.00 0.00 178.31 179.06 1ufj h ILE 107 N 0.76 1.13 -0.68 -0.55 2.10 -1.19 -2.27 117.51 116.80 1ufj h ILE 107 Ca 0.17 -1.66 -0.08 0.00 1.08 0.00 0.00 64.86 64.37 1ufj h ILE 107 Cb 0.33 1.95 -0.03 0.00 -1.09 0.00 0.00 36.82 37.98 1ufj h ILE 107 CO 0.00 0.44 0.12 0.28 -1.08 0.00 0.00 178.15 177.91 1ufj h SER 108 N 0.00 1.08 -0.44 2.19 0.02 -1.02 -0.72 113.55 114.66 1ufj h SER 108 Ca -0.00 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 1ufj h SER 108 Cb 0.91 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 1ufj h SER 108 CO 0.06 1.06 0.23 -0.08 -1.14 0.00 0.00 176.83 176.96 1ufj h GLU 109 N 1.05 0.61 -0.64 3.45 4.22 -1.01 -2.01 114.58 120.26 1ufj h GLU 109 Ca 0.21 -0.08 -0.02 0.00 0.08 0.00 0.00 59.36 59.55 1ufj h GLU 109 Cb 0.44 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1ufj h GLU 109 CO 0.01 0.50 0.31 0.00 -2.18 0.00 0.00 179.01 177.65 1ufj h ALA 110 N 1.08 0.83 -0.04 2.92 0.00 -1.08 -1.10 119.26 121.87 1ufj h ALA 110 Ca 0.15 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1ufj h ALA 110 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1ufj h ALA 110 CO -0.02 0.39 -0.00 0.82 0.00 0.00 0.00 179.25 180.43 1ufj h ILE 111 N 0.88 0.97 -0.39 0.00 2.04 -0.88 -0.84 117.51 119.29 1ufj h ILE 111 Ca 0.22 -0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.10 1ufj h ILE 111 Cb 0.11 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1ufj h ILE 111 CO -0.03 0.00 0.20 0.40 0.00 0.00 0.00 178.15 178.73 1ufj h ILE 112 N 0.01 0.99 -0.14 -0.67 1.08 -1.17 -1.20 117.51 116.42 1ufj h ILE 112 Ca 0.02 -0.14 0.01 0.00 -0.39 0.00 0.00 64.86 64.36 1ufj h ILE 112 Cb 0.02 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 34.31 1ufj h ILE 112 CO -0.04 0.08 0.05 -0.74 -0.69 0.00 0.00 178.15 176.81 1ufj h HIS 113 N 0.41 0.10 -0.66 1.37 2.76 -0.94 -1.83 115.15 116.36 1ufj h HIS 113 Ca 0.16 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.26 1ufj h HIS 113 Cb 0.06 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 28.97 1ufj h HIS 113 CO -0.09 0.05 0.11 0.28 -1.30 0.00 0.00 177.93 176.98 1ufj h VAL 114 N 0.12 1.26 -0.77 5.26 2.07 -0.97 -0.25 116.25 122.98 1ufj h VAL 114 Ca 0.06 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 1ufj h VAL 114 Cb 0.03 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 1ufj h VAL 114 CO -0.06 0.39 0.36 -0.07 0.02 0.00 0.00 177.57 178.21 1ufj h LEU 115 N 1.02 1.01 -0.36 2.57 3.38 -1.07 -0.16 115.31 121.70 1ufj h LEU 115 Ca 0.20 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1ufj h LEU 115 Cb 0.44 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1ufj h LEU 115 CO 0.01 0.87 -0.16 -0.74 0.09 0.00 0.00 178.44 178.51 1ufj h HIS 116 N 1.10 0.86 -0.57 1.13 2.76 -0.98 -0.52 115.15 118.93 1ufj h HIS 116 Ca 0.26 -0.21 -0.03 0.00 -2.20 0.00 0.00 60.37 58.19 1ufj h HIS 116 Cb 0.13 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 28.87 1ufj h HIS 116 CO 0.01 0.93 0.24 1.03 -1.30 0.00 0.00 177.93 178.84 1ufj h SER 117 N 0.53 0.78 1.34 3.26 0.87 -0.59 -2.33 113.55 117.41 1ufj h SER 117 Ca 0.08 -0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 60.44 1ufj h SER 117 Cb 0.70 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1ufj h SER 117 CO 0.05 0.72 -0.68 0.03 -0.53 0.00 0.00 176.83 176.43 1ufj h ARG 118 N 0.78 0.00 -1.66 2.24 3.08 -1.04 -3.39 114.38 114.40 1ufj h ARG 118 Ca 0.19 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.78 1ufj h ARG 118 Cb 0.18 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.83 1ufj h ARG 118 CO -0.02 0.12 -1.09 0.72 -1.07 0.00 0.00 179.97 178.63 1ufj n HIS 119 N -2.92 1.29 0.22 3.04 8.25 -0.21 -4.94 115.22 119.95 1ufj n HIS 119 Ca 0.00 -3.43 0.05 0.00 -0.26 0.00 0.00 57.72 54.08 1ufj n HIS 119 Cb 0.62 -0.38 0.48 0.00 1.12 0.00 0.00 29.99 31.82 1ufj n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1ufj h PRO 120 N 2.96 0.00 0.00 -0.41 0.13 -1.61 0.34 132.00 133.40 1ufj h PRO 120 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1ufj h PRO 120 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1ufj h PRO 120 CO 0.57 0.23 0.00 0.78 -0.23 0.00 0.00 178.00 179.35 1ufj h GLY 121 N 0.75 0.00 0.00 1.56 0.00 -1.92 -3.36 103.07 100.10 1ufj h GLY 121 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ufj h GLY 121 CO 0.03 0.00 -0.71 2.09 0.00 0.00 0.00 176.54 177.95 1ufj n ASP 122 N -2.58 3.47 -3.91 0.19 5.75 -1.06 -4.88 116.55 113.53 1ufj n ASP 122 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.38 1ufj n ASP 122 Cb 0.30 0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 1ufj n ASP 122 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1ufj n PHE 123 N -1.62 3.50 -0.76 2.11 7.35 0.12 -4.79 117.46 123.37 1ufj n PHE 123 Ca 0.00 -2.92 0.00 0.00 -0.76 0.00 0.00 57.45 53.77 1ufj n PHE 123 Cb 0.35 -2.30 0.00 0.00 0.35 0.00 0.00 39.48 37.89 1ufj n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1ufj n GLY 124 N 3.69 0.26 0.35 7.13 0.00 -1.26 -4.68 105.19 110.68 1ufj n GLY 124 Ca 0.46 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1ufj n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufj h ALA 125 N -1.62 1.44 -0.11 4.61 0.00 -1.98 0.16 119.26 121.76 1ufj h ALA 125 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1ufj h ALA 125 Cb 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1ufj h ALA 125 CO 0.00 0.52 -0.03 -0.44 0.00 0.00 0.00 179.25 179.29 1ufj h ASP 126 N 1.07 0.22 -0.56 0.00 5.19 -1.95 -1.04 116.42 119.35 1ufj h ASP 126 Ca 0.29 -0.38 -0.10 0.00 -0.62 0.00 0.00 57.03 56.22 1ufj h ASP 126 Cb -0.11 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.32 1ufj h ASP 126 CO -0.07 0.55 -0.05 0.00 -3.12 0.00 0.00 179.24 176.55 1ufj h ALA 127 N 0.68 0.83 -0.56 3.45 0.00 -1.83 -0.87 119.26 120.95 1ufj h ALA 127 Ca 0.03 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1ufj h ALA 127 Cb 0.46 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1ufj h ALA 127 CO 0.01 0.67 0.11 1.96 0.00 0.00 0.00 179.25 182.00 1ufj h GLN 128 N 0.94 0.91 -0.69 0.00 4.20 -0.96 0.26 115.11 119.77 1ufj h GLN 128 Ca 0.16 -0.23 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 1ufj h GLN 128 Cb 0.61 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 1ufj h GLN 128 CO 0.04 0.87 0.28 0.78 -0.67 0.00 0.00 178.83 180.12 1ufj h GLY 129 N 0.81 1.11 0.94 3.46 0.00 -0.97 0.63 103.07 109.04 1ufj h GLY 129 Ca 0.17 -0.60 -0.05 0.00 0.00 0.00 0.00 47.33 46.85 1ufj h GLY 129 CO 0.01 0.57 0.07 0.00 0.00 0.00 0.00 176.54 177.19 1ufj h ALA 130 N 1.13 0.54 -0.37 3.60 0.00 -0.84 -1.61 119.26 121.70 1ufj h ALA 130 Ca 0.23 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1ufj h ALA 130 Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1ufj h ALA 130 CO -0.02 0.25 -0.14 1.98 0.00 0.00 0.00 179.25 181.31 1ufj h MET 131 N 0.52 0.66 -0.35 0.00 -1.53 -0.74 -0.87 114.93 112.62 1ufj h MET 131 Ca 0.12 -0.22 0.00 0.00 -3.44 0.00 0.00 59.70 56.16 1ufj h MET 131 Cb 0.36 -0.05 -0.02 0.00 -0.55 0.00 0.00 31.60 31.34 1ufj h MET 131 CO 0.01 0.78 0.22 -0.97 0.14 0.00 0.00 176.91 177.08 1ufj h ASN 132 N 0.60 0.41 -0.55 1.39 -1.24 -0.60 -0.23 115.58 115.36 1ufj h ASN 132 Ca 0.10 -0.04 -0.03 0.00 0.71 0.00 0.00 56.30 57.04 1ufj h ASN 132 Cb 0.59 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.51 1ufj h ASN 132 CO 0.04 0.32 0.21 0.11 -1.29 0.00 0.00 177.43 176.82 1ufj h LYS 133 N 0.46 0.83 -0.40 6.67 1.57 -1.00 0.18 116.57 124.88 1ufj h LYS 133 Ca 0.13 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1ufj h LYS 133 Cb -0.02 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1ufj h LYS 133 CO -0.02 0.73 0.26 0.00 -0.57 0.00 0.00 179.45 179.85 1ufj h ALA 134 N 1.06 0.51 0.00 3.86 0.00 -0.82 0.41 119.26 124.29 1ufj h ALA 134 Ca 0.18 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1ufj h ALA 134 Cb 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1ufj h ALA 134 CO -0.01 -0.02 -0.53 -0.07 0.00 0.00 0.00 179.25 178.61 1ufj h LEU 135 N 0.54 0.00 -0.38 0.00 3.38 -0.89 -1.32 115.31 116.64 1ufj h LEU 135 Ca 0.15 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 1ufj h LEU 135 Cb -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1ufj h LEU 135 CO -0.03 0.53 -0.12 -0.08 0.09 0.00 0.00 178.44 178.83 1ufj h GLU 136 N 0.00 0.75 -0.37 1.13 4.81 -0.36 0.20 114.58 120.73 1ufj h GLU 136 Ca -0.01 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1ufj h GLU 136 Cb 0.96 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 1ufj h GLU 136 CO 0.07 0.91 0.24 1.25 -0.73 0.00 0.00 179.01 180.74 1ufj h LEU 137 N 0.55 0.44 -0.30 1.64 5.85 -0.72 0.76 115.31 123.53 1ufj h LEU 137 Ca 0.09 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.84 1ufj h LEU 137 Cb 0.65 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 1ufj h LEU 137 CO 0.04 0.34 -0.08 0.15 -0.34 0.00 0.00 178.44 178.55 1ufj h PHE 138 N 0.50 -0.18 -0.53 1.25 3.57 -0.99 -0.40 116.94 120.16 1ufj h PHE 138 Ca 0.14 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.56 1ufj h PHE 138 Cb -0.03 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1ufj h PHE 138 CO -0.04 -0.14 -0.06 0.00 -2.23 0.00 0.00 178.31 175.84 1ufj h ARG 139 N -0.01 0.97 -0.70 1.11 3.08 -0.50 -1.73 114.38 116.61 1ufj h ARG 139 Ca 0.14 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 1ufj h ARG 139 Cb 0.23 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 1ufj h ARG 139 CO -0.31 1.01 0.30 0.87 -1.07 0.00 0.00 179.97 180.76 1ufj h LYS 140 N 0.84 1.03 -0.17 0.04 1.57 -0.50 0.43 116.57 119.80 1ufj h LYS 140 Ca 0.14 -0.17 -0.12 0.00 -1.87 0.00 0.00 60.65 58.63 1ufj h LYS 140 Cb 0.61 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1ufj h LYS 140 CO 0.04 0.84 -0.40 -0.44 -0.57 0.00 0.00 179.45 178.92 1ufj h ASP 141 N 0.98 0.40 -0.32 0.86 3.32 -0.96 -1.63 116.42 119.08 1ufj h ASP 141 Ca 0.23 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 1ufj h ASP 141 Cb 0.18 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1ufj h ASP 141 CO -0.02 0.76 -0.16 0.40 -1.72 0.00 0.00 179.24 178.50 1ufj h ILE 142 N 0.32 1.29 -0.76 0.35 2.04 -0.95 -2.73 117.51 117.08 1ufj h ILE 142 Ca 0.03 -1.26 0.05 0.00 1.00 0.00 0.00 64.86 64.67 1ufj h ILE 142 Cb 0.84 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 1ufj h ILE 142 CO 0.07 0.41 0.50 0.00 0.00 0.00 0.00 178.15 179.13 1ufj h ALA 143 N 0.77 1.60 -0.31 1.87 0.00 -0.70 0.27 119.26 122.75 1ufj h ALA 143 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1ufj h ALA 143 Cb 0.69 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1ufj h ALA 143 CO 0.05 0.31 0.13 0.00 0.00 0.00 0.00 179.25 179.74 1ufj h ALA 144 N 1.57 0.40 -0.64 0.00 0.00 -1.12 -0.38 119.26 119.08 1ufj h ALA 144 Ca 0.31 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1ufj h ALA 144 Cb 0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1ufj h ALA 144 CO -0.10 -0.02 0.21 0.87 0.00 0.00 0.00 179.25 180.21 1ufj h LYS 145 N 0.35 0.99 0.43 0.00 1.79 -1.03 -1.14 116.57 117.96 1ufj h LYS 145 Ca 0.10 -0.21 -0.01 0.00 -2.18 0.00 0.00 60.65 58.36 1ufj h LYS 145 Cb 0.16 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.64 1ufj h LYS 145 CO -0.01 0.87 -0.48 1.88 -1.08 0.00 0.00 179.45 180.63 1ufj h TYR 146 N 0.92 -1.33 -0.75 -1.35 -1.99 -0.66 -1.87 116.97 109.95 1ufj h TYR 146 Ca 0.21 0.01 0.13 0.00 2.00 0.00 0.00 58.73 61.09 1ufj h TYR 146 Cb 0.28 0.52 -0.05 0.00 2.00 0.00 0.00 36.73 39.49 1ufj h TYR 146 CO 0.02 -0.63 0.50 0.87 -0.00 0.00 0.00 178.16 178.91 1ufj h LYS 147 N -0.93 0.46 -0.85 4.88 1.57 -0.94 -0.11 116.57 120.65 1ufj h LYS 147 Ca -0.05 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1ufj h LYS 147 Cb 0.82 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.99 1ufj h LYS 147 CO -0.09 0.31 0.46 1.49 -0.57 0.00 0.00 179.45 181.04 1ufj h GLU 148 N 0.48 1.19 -0.32 3.15 4.81 -0.53 -2.01 114.58 121.34 1ufj h GLU 148 Ca 0.36 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1ufj h GLU 148 Cb 0.75 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1ufj h GLU 148 CO -0.12 0.88 0.00 1.28 -0.73 0.00 0.00 179.01 180.31 1ufj n LEU 149 N -4.37 1.92 0.00 1.64 4.32 -0.17 -4.91 117.00 115.42 1ufj n LEU 149 Ca 0.08 -0.92 0.00 0.00 -0.02 0.00 0.00 56.01 55.16 1ufj n LEU 149 Cb 0.10 -0.21 0.00 0.00 -1.62 0.00 0.00 43.42 41.69 1ufj n LEU 149 CO 0.39 0.46 0.00 0.61 -1.22 0.00 0.00 177.39 177.63 1ufj n GLY 150 N 1.11 1.66 3.61 -0.72 0.00 -0.66 -4.99 105.19 105.20 1ufj n GLY 150 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1ufj n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ufj s TYR 151 N -3.56 2.54 -1.20 1.61 6.04 -0.50 -4.91 117.35 117.36 1ufj s TYR 151 Ca 0.00 0.75 -0.12 0.00 0.04 0.00 0.00 57.07 57.74 1ufj s TYR 151 Cb 0.00 -4.18 0.20 0.00 -1.04 0.00 0.00 41.96 36.94 1ufj s TYR 151 CO 0.00 -1.83 1.44 1.04 -1.54 0.00 0.00 175.55 174.66 1ufj n GLN 152 N 7.78 3.48 0.00 4.97 1.13 -1.26 -3.69 117.38 129.79 1ufj n GLN 152 Ca 0.15 -3.95 0.09 0.00 -1.94 0.00 0.00 57.00 51.36 1ufj n GLN 152 Cb 0.48 -2.92 0.56 0.00 0.11 0.00 0.00 30.24 28.46 1ufj n GLN 152 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03