#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ux1 n SER 21 N 0.00 0.39 -0.54 0.58 2.88 -1.26 -3.03 113.62 112.64 2ux1 n SER 21 Ca 0.00 0.58 0.09 0.00 -1.33 0.00 0.00 58.87 58.21 2ux1 n SER 21 Cb 0.00 -0.67 0.21 0.00 -0.75 0.00 0.00 64.21 63.00 2ux1 n SER 21 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2ux1 n LEU 22 N -1.91 3.23 -0.04 2.46 4.77 -1.26 -4.77 117.00 119.48 2ux1 n LEU 22 Ca 0.04 -3.07 0.05 0.00 -0.03 0.00 0.00 56.01 53.00 2ux1 n LEU 22 Cb 0.25 -0.50 0.42 0.00 -2.33 0.00 0.00 43.42 41.26 2ux1 n LEU 22 CO 0.20 0.70 1.18 0.00 -1.33 0.00 0.00 177.39 178.14 2ux1 h ALA 23 N 1.02 1.74 0.02 -1.18 0.00 -1.98 -1.23 119.26 117.64 2ux1 h ALA 23 Ca 0.00 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.58 2ux1 h ALA 23 Cb 1.26 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 2ux1 h ALA 23 CO 0.13 0.22 -1.80 -0.25 0.00 0.00 0.00 179.25 177.55 2ux1 n ASP 24 N -4.47 1.03 -0.07 0.00 8.00 -1.26 -2.17 116.55 117.61 2ux1 n ASP 24 Ca 0.05 0.35 -0.07 0.00 0.71 0.00 0.00 54.79 55.84 2ux1 n ASP 24 Cb 0.12 -0.13 -0.01 0.00 -0.02 0.00 0.00 41.12 41.08 2ux1 n ASP 24 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2ux1 h SER 25 N 0.01 -0.51 -0.87 -2.24 0.02 -1.79 0.71 113.55 108.89 2ux1 h SER 25 Ca -0.33 0.12 0.03 0.00 -0.84 0.00 0.00 61.79 60.77 2ux1 h SER 25 Cb 2.03 0.27 -0.05 0.00 0.14 0.00 0.00 62.40 64.79 2ux1 h SER 25 CO 0.08 -0.19 0.56 0.11 -1.14 0.00 0.00 176.83 176.25 2ux1 h LYS 26 N -0.12 1.06 -0.45 3.45 1.57 -1.32 -0.85 116.57 119.91 2ux1 h LYS 26 Ca 0.15 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2ux1 h LYS 26 Cb 0.34 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2ux1 h LYS 26 CO -0.36 0.70 0.19 0.00 -0.57 0.00 0.00 179.45 179.41 2ux1 h ALA 27 N 1.36 0.58 -0.05 3.86 0.00 -0.84 -0.82 119.26 123.35 2ux1 h ALA 27 Ca 0.34 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 2ux1 h ALA 27 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2ux1 h ALA 27 CO -0.12 0.18 -0.66 -0.24 0.00 0.00 0.00 179.25 178.41 2ux1 h VAL 28 N 0.58 1.41 -0.65 0.00 3.04 -0.74 -1.31 116.25 118.59 2ux1 h VAL 28 Ca 0.15 -2.12 -0.01 0.00 -1.01 0.00 0.00 66.70 63.71 2ux1 h VAL 28 Cb 0.17 2.10 -0.03 0.00 -2.01 0.00 0.00 31.29 31.52 2ux1 h VAL 28 CO -0.01 0.62 0.35 -0.07 -1.01 0.00 0.00 177.57 177.45 2ux1 h LEU 29 N 0.15 0.81 -0.45 3.16 3.38 -0.85 -0.93 115.31 120.58 2ux1 h LEU 29 Ca -0.01 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 2ux1 h LEU 29 Cb 1.18 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 2ux1 h LEU 29 CO 0.10 0.67 -0.25 -1.13 0.09 0.00 0.00 178.44 177.92 2ux1 h ASN 30 N 0.88 1.00 -0.28 -0.43 -0.73 -1.06 -2.15 115.58 112.81 2ux1 h ASN 30 Ca 0.23 -0.41 0.05 0.00 1.87 0.00 0.00 56.30 58.03 2ux1 h ASN 30 Cb 0.04 -0.28 -0.04 0.00 0.27 0.00 0.00 38.32 38.31 2ux1 h ASN 30 CO -0.04 1.19 0.00 -0.61 -0.37 0.00 0.00 177.43 177.61 2ux1 h GLN 31 N 0.80 0.08 -0.99 6.67 5.75 -0.99 -1.86 115.11 124.58 2ux1 h GLN 31 Ca 0.10 -0.00 0.09 0.00 -0.15 0.00 0.00 58.65 58.68 2ux1 h GLN 31 Cb 0.83 -0.02 -0.07 0.00 1.07 0.00 0.00 27.48 29.29 2ux1 h GLN 31 CO 0.07 0.05 0.63 0.00 -2.65 0.00 0.00 178.83 176.94 2ux1 h ALA 32 N 1.24 1.42 -0.44 3.38 0.00 -1.02 -0.41 119.26 123.43 2ux1 h ALA 32 Ca 0.13 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2ux1 h ALA 32 Cb 0.17 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2ux1 h ALA 32 CO -0.22 0.35 0.23 0.28 0.00 0.00 0.00 179.25 179.88 2ux1 h VAL 33 N 1.09 0.99 -0.24 0.00 2.07 -0.68 0.48 116.25 119.96 2ux1 h VAL 33 Ca 0.45 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.77 2ux1 h VAL 33 Cb 0.29 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2ux1 h VAL 33 CO -0.21 0.08 -0.02 0.00 0.02 0.00 0.00 177.57 177.45 2ux1 h ALA 34 N 1.22 0.33 -0.20 1.67 0.00 -0.70 -1.73 119.26 119.84 2ux1 h ALA 34 Ca 0.18 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 2ux1 h ALA 34 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2ux1 h ALA 34 CO -0.12 0.08 -0.52 -0.44 0.00 0.00 0.00 179.25 178.25 2ux1 h ASP 35 N 0.20 0.64 -0.24 0.00 3.32 -0.92 -2.14 116.42 117.27 2ux1 h ASP 35 Ca 0.07 -0.33 -0.12 0.00 0.02 0.00 0.00 57.03 56.66 2ux1 h ASP 35 Cb 0.45 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 2ux1 h ASP 35 CO 0.02 1.04 -0.29 -0.07 -1.72 0.00 0.00 179.24 178.22 2ux1 h LEU 36 N 0.45 0.76 -0.16 1.55 3.38 -0.04 0.14 115.31 121.39 2ux1 h LEU 36 Ca 0.01 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.69 2ux1 h LEU 36 Cb 1.07 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2ux1 h LEU 36 CO 0.10 1.00 0.08 0.28 0.09 0.00 0.00 178.44 180.00 2ux1 h SER 37 N 0.63 0.13 -0.49 -0.43 0.02 -1.20 -0.90 113.55 111.31 2ux1 h SER 37 Ca 0.08 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.96 2ux1 h SER 37 Cb 0.80 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 2ux1 h SER 37 CO 0.07 0.10 0.01 0.58 -1.14 0.00 0.00 176.83 176.45 2ux1 h VAL 38 N 0.18 1.26 -0.84 2.27 2.07 -1.26 -2.62 116.25 117.32 2ux1 h VAL 38 Ca 0.06 -1.05 0.07 0.00 0.82 0.00 0.00 66.70 66.60 2ux1 h VAL 38 Cb 0.01 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 2ux1 h VAL 38 CO -0.04 0.37 0.51 0.00 0.02 0.00 0.00 177.57 178.43 2ux1 h ALA 39 N 0.94 1.15 -0.21 1.67 0.00 -0.62 -0.65 119.26 121.53 2ux1 h ALA 39 Ca 0.14 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2ux1 h ALA 39 Cb 0.50 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2ux1 h ALA 39 CO 0.02 0.24 0.00 1.25 0.00 0.00 0.00 179.25 180.76 2ux1 h HIS 40 N 0.92 -0.00 -0.44 0.00 6.17 -1.03 -1.18 115.15 119.59 2ux1 h HIS 40 Ca 0.37 0.02 0.05 0.00 0.71 0.00 0.00 60.37 61.52 2ux1 h HIS 40 Cb 0.20 0.03 -0.05 0.00 2.52 0.00 0.00 27.41 30.11 2ux1 h HIS 40 CO -0.04 -0.03 0.17 1.03 0.71 0.00 0.00 177.93 179.77 2ux1 h SER 41 N 0.07 0.20 -0.28 3.26 0.87 -0.89 -0.31 113.55 116.48 2ux1 h SER 41 Ca 0.10 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 2ux1 h SER 41 Cb 0.12 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 2ux1 h SER 41 CO -0.16 0.15 0.13 0.40 -0.53 0.00 0.00 176.83 176.81 2ux1 h ILE 42 N 0.35 1.16 -0.85 2.23 2.04 -0.97 -1.11 117.51 120.36 2ux1 h ILE 42 Ca 0.20 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2ux1 h ILE 42 Cb 0.17 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 2ux1 h ILE 42 CO -0.19 0.16 0.54 -0.07 0.00 0.00 0.00 178.15 178.59 2ux1 h LEU 43 N 0.32 1.00 -0.57 1.44 3.38 -0.55 -1.46 115.31 118.87 2ux1 h LEU 43 Ca 0.10 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 2ux1 h LEU 43 Cb 0.14 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2ux1 h LEU 43 CO -0.01 0.74 -0.13 -0.74 0.09 0.00 0.00 178.44 178.39 2ux1 h HIS 44 N 1.16 1.13 -0.48 1.13 2.76 -0.81 -0.26 115.15 119.78 2ux1 h HIS 44 Ca 0.31 -0.24 0.05 0.00 -2.20 0.00 0.00 60.37 58.29 2ux1 h HIS 44 Cb -0.09 -0.28 -0.05 0.00 1.55 0.00 0.00 27.41 28.54 2ux1 h HIS 44 CO 0.00 1.05 0.21 0.37 -1.30 0.00 0.00 177.93 178.27 2ux1 h GLN 45 N 0.89 0.40 -0.61 5.26 4.15 -0.71 -0.91 115.11 123.58 2ux1 h GLN 45 Ca 0.13 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.51 2ux1 h GLN 45 Cb 0.69 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.27 2ux1 h GLN 45 CO 0.05 0.27 0.30 0.28 -1.93 0.00 0.00 178.83 177.80 2ux1 h VAL 46 N 0.41 1.21 -0.65 2.39 2.07 -0.85 0.23 116.25 121.06 2ux1 h VAL 46 Ca 0.22 -0.59 0.12 0.00 0.82 0.00 0.00 66.70 67.27 2ux1 h VAL 46 Cb 0.17 0.47 -0.09 0.00 -1.52 0.00 0.00 31.29 30.33 2ux1 h VAL 46 CO -0.19 0.24 0.20 -0.74 0.02 0.00 0.00 177.57 177.11 2ux1 h HIS 47 N 0.84 0.34 0.10 1.57 -0.00 -0.67 -2.58 115.15 114.75 2ux1 h HIS 47 Ca 0.21 0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 60.48 2ux1 h HIS 47 Cb 0.11 -0.05 0.02 0.00 -0.00 0.00 0.00 27.41 27.48 2ux1 h HIS 47 CO -0.00 0.03 -0.60 -1.49 -0.00 0.00 0.00 177.93 175.86 2ux1 h TRP 48 N 0.35 0.42 -0.02 5.26 6.55 -0.46 -3.36 115.95 124.69 2ux1 h TRP 48 Ca 0.34 -0.30 0.00 0.00 0.95 0.00 0.00 58.89 59.89 2ux1 h TRP 48 Cb 0.50 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 28.78 2ux1 h TRP 48 CO -0.21 1.22 -0.07 0.66 -1.05 0.00 0.00 178.44 179.00 2ux1 n TYR 49 N -4.25 0.00 -1.83 0.49 4.01 0.00 -4.93 117.16 110.66 2ux1 n TYR 49 Ca -0.13 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.20 2ux1 n TYR 49 Cb 0.73 -0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 39.71 2ux1 n TYR 49 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 2ux1 s MET 50 N -2.11 4.16 -0.11 -0.72 1.75 -0.97 -4.41 119.30 116.88 2ux1 s MET 50 Ca 0.34 2.50 -0.07 0.00 -1.25 0.00 0.00 55.69 57.21 2ux1 s MET 50 Cb 0.20 -3.08 0.04 0.00 2.84 0.00 0.00 34.83 34.84 2ux1 s MET 50 CO 0.38 -0.64 0.27 1.03 -0.65 0.00 0.00 175.02 175.41 2ux1 s ARG 51 N 0.37 0.27 0.00 4.11 0.52 -1.26 -5.03 118.95 117.92 2ux1 s ARG 51 Ca 0.68 0.50 0.00 0.00 -0.52 0.00 0.00 55.73 56.39 2ux1 s ARG 51 Cb -0.47 -0.01 0.00 0.00 0.52 0.00 0.00 34.95 34.99 2ux1 s ARG 51 CO 0.39 -0.12 0.00 0.41 0.02 0.00 0.00 175.30 176.00 2ux1 n GLY 52 N 3.75 3.41 3.68 -3.53 0.00 -1.26 -3.93 105.19 107.31 2ux1 n GLY 52 Ca -0.20 -1.81 -0.45 0.00 0.00 0.00 0.00 46.02 43.56 2ux1 n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ux1 n ARG 53 N -1.59 2.37 0.00 1.61 5.12 -1.26 -1.56 116.66 121.36 2ux1 n ARG 53 Ca 0.00 0.86 0.00 0.00 -1.93 0.00 0.00 57.85 56.78 2ux1 n ARG 53 Cb 0.00 -2.67 0.00 0.00 -1.16 0.00 0.00 32.46 28.63 2ux1 n ARG 53 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2ux1 n GLY 54 N 3.75 0.79 0.23 -0.13 0.00 -1.26 -4.93 105.19 103.64 2ux1 n GLY 54 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2ux1 n GLY 54 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2ux1 h PHE 55 N 0.00 0.22 0.00 1.61 3.57 -1.67 -1.44 116.94 119.22 2ux1 h PHE 55 Ca 0.00 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 2ux1 h PHE 55 Cb 0.00 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2ux1 h PHE 55 CO 0.00 -0.02 -0.17 1.98 -2.23 0.00 0.00 178.31 177.87 2ux1 h MET 56 N 0.27 0.00 0.01 1.11 4.05 -1.94 0.21 114.93 118.64 2ux1 h MET 56 Ca 0.31 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.64 2ux1 h MET 56 Cb 0.45 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.24 2ux1 h MET 56 CO -0.39 0.17 -0.46 0.82 0.23 0.00 0.00 176.91 177.28 2ux1 h ILE 57 N 0.00 1.49 0.02 1.77 2.04 -1.88 -3.40 117.51 117.54 2ux1 h ILE 57 Ca -0.00 -2.30 -0.24 0.00 1.00 0.00 0.00 64.86 63.32 2ux1 h ILE 57 Cb 0.43 3.00 -0.03 0.00 -0.74 0.00 0.00 36.82 39.48 2ux1 h ILE 57 CO 0.02 0.52 -1.20 -0.50 0.00 0.00 0.00 178.15 177.00 2ux1 h TRP 58 N -0.96 0.07 0.19 1.37 4.06 -0.90 -2.90 115.95 116.88 2ux1 h TRP 58 Ca -0.12 -0.05 0.01 0.00 2.06 0.00 0.00 58.89 60.79 2ux1 h TRP 58 Cb 1.14 -0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.25 2ux1 h TRP 58 CO 0.22 1.05 -0.52 1.25 -3.56 0.00 0.00 178.44 176.87 2ux1 h HIS 59 N 0.01 -1.51 -0.05 0.49 2.76 -0.80 -1.64 115.15 114.41 2ux1 h HIS 59 Ca -0.09 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.06 2ux1 h HIS 59 Cb 1.85 0.63 -0.01 0.00 1.55 0.00 0.00 27.41 31.43 2ux1 h HIS 59 CO 0.01 -0.61 -0.20 -1.00 -1.30 0.00 0.00 177.93 174.82 2ux1 h PRO 60 N -0.80 0.09 -0.71 5.26 0.13 -1.78 -2.83 132.00 131.36 2ux1 h PRO 60 Ca -0.02 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 65.15 2ux1 h PRO 60 Cb 0.78 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.86 2ux1 h PRO 60 CO -0.25 0.29 0.47 -0.22 -0.23 0.00 0.00 178.00 178.06 2ux1 h LYS 61 N 0.08 0.74 -0.76 0.86 1.63 -1.25 -1.40 116.57 116.47 2ux1 h LYS 61 Ca 0.01 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 2ux1 h LYS 61 Cb 0.41 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 31.83 2ux1 h LYS 61 CO 0.03 0.49 0.44 0.52 -3.45 0.00 0.00 179.45 177.48 2ux1 h MET 62 N 0.77 1.04 -0.62 1.90 2.86 -1.04 -1.09 114.93 118.74 2ux1 h MET 62 Ca 0.30 -0.10 0.05 0.00 -2.06 0.00 0.00 59.70 57.89 2ux1 h MET 62 Cb 0.20 -0.21 -0.05 0.00 0.06 0.00 0.00 31.60 31.60 2ux1 h MET 62 CO -0.09 0.74 0.34 -0.44 1.06 0.00 0.00 176.91 178.52 2ux1 h ASP 63 N 1.05 0.51 -0.38 1.22 3.32 -1.31 0.65 116.42 121.47 2ux1 h ASP 63 Ca 0.27 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 2ux1 h ASP 63 Cb -0.01 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 2ux1 h ASP 63 CO -0.05 0.34 0.16 -0.33 -1.72 0.00 0.00 179.24 177.64 2ux1 h GLU 64 N 0.64 0.57 -0.58 3.56 5.08 -0.97 -1.13 114.58 121.75 2ux1 h GLU 64 Ca 0.28 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2ux1 h GLU 64 Cb 0.16 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2ux1 h GLU 64 CO -0.17 0.53 0.37 1.88 -1.00 0.00 0.00 179.01 180.62 2ux1 h TYR 65 N 0.47 0.74 -0.39 4.33 0.05 -0.99 -1.84 116.97 119.34 2ux1 h TYR 65 Ca 0.13 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.91 2ux1 h TYR 65 Cb 0.17 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 2ux1 h TYR 65 CO -0.00 0.49 0.21 0.52 -1.05 0.00 0.00 178.16 178.32 2ux1 h MET 66 N 0.78 0.55 -0.33 4.88 2.86 -0.75 0.54 114.93 123.46 2ux1 h MET 66 Ca 0.21 -0.07 0.06 0.00 -2.06 0.00 0.00 59.70 57.84 2ux1 h MET 66 Cb -0.06 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.44 2ux1 h MET 66 CO -0.04 0.46 0.01 1.49 1.06 0.00 0.00 176.91 179.89 2ux1 h GLU 67 N 0.50 0.10 -0.11 1.72 4.57 -1.13 0.15 114.58 120.39 2ux1 h GLU 67 Ca 0.14 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.31 2ux1 h GLU 67 Cb 0.08 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 2ux1 h GLU 67 CO -0.02 0.07 0.06 1.49 -1.18 0.00 0.00 179.01 179.43 2ux1 h GLU 68 N 0.11 0.16 -0.65 1.92 4.81 -1.04 -1.86 114.58 118.02 2ux1 h GLU 68 Ca 0.16 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.45 2ux1 h GLU 68 Cb 0.21 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.49 2ux1 h GLU 68 CO -0.26 0.18 0.31 0.82 -0.73 0.00 0.00 179.01 179.33 2ux1 h ILE 69 N 0.09 0.86 -0.29 2.32 1.08 -0.66 -1.29 117.51 119.62 2ux1 h ILE 69 Ca 0.04 -0.19 -0.05 0.00 -0.39 0.00 0.00 64.86 64.27 2ux1 h ILE 69 Cb 0.07 0.26 -0.02 0.00 -3.07 0.00 0.00 36.82 34.07 2ux1 h ILE 69 CO -0.01 0.10 -0.04 0.44 -0.69 0.00 0.00 178.15 177.96 2ux1 h ASP 70 N 0.55 0.43 -0.26 1.72 3.32 -0.47 -1.01 116.42 120.70 2ux1 h ASP 70 Ca 0.31 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 2ux1 h ASP 70 Cb 0.31 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2ux1 h ASP 70 CO -0.25 0.53 0.06 1.23 -1.72 0.00 0.00 179.24 179.09 2ux1 h GLY 71 N 0.81 0.44 1.09 2.75 0.00 -0.42 -1.63 103.07 106.11 2ux1 h GLY 71 Ca 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 2ux1 h GLY 71 CO 0.01 0.26 0.51 -0.97 0.00 0.00 0.00 176.54 176.35 2ux1 h TYR 72 N 0.24 1.17 0.09 5.60 0.05 -1.06 -2.30 116.97 120.75 2ux1 h TYR 72 Ca 0.08 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 2ux1 h TYR 72 Cb 0.28 -0.38 0.00 0.00 1.01 0.00 0.00 36.73 37.64 2ux1 h TYR 72 CO 0.01 0.79 -0.04 1.25 -1.05 0.00 0.00 178.16 179.12 2ux1 h LEU 73 N 1.21 -0.10 -0.52 3.88 5.85 -0.95 -0.20 115.31 124.48 2ux1 h LEU 73 Ca 0.31 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.97 2ux1 h LEU 73 Cb -0.02 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2ux1 h LEU 73 CO -0.06 -0.03 0.22 -0.78 -0.34 0.00 0.00 178.44 177.45 2ux1 h ASP 74 N -0.17 0.71 -0.29 1.25 3.58 -1.25 -1.52 116.42 118.74 2ux1 h ASP 74 Ca -0.01 -0.16 -0.05 0.00 0.42 0.00 0.00 57.03 57.23 2ux1 h ASP 74 Cb 0.13 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 2ux1 h ASP 74 CO 0.02 0.68 -0.02 -0.08 -2.88 0.00 0.00 179.24 176.96 2ux1 h GLU 75 N 0.70 0.52 -0.34 0.28 4.81 -1.28 -0.18 114.58 119.09 2ux1 h GLU 75 Ca 0.18 -0.18 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 2ux1 h GLU 75 Cb 0.18 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2ux1 h GLU 75 CO -0.02 0.69 -0.12 0.52 -0.73 0.00 0.00 179.01 179.35 2ux1 h MET 76 N 0.31 0.68 -0.65 1.92 2.86 -1.01 -0.47 114.93 118.57 2ux1 h MET 76 Ca 0.08 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.43 2ux1 h MET 76 Cb 0.46 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 2ux1 h MET 76 CO 0.02 0.87 0.36 0.66 1.06 0.00 0.00 176.91 179.88 2ux1 h SER 77 N 0.46 0.81 0.45 1.22 4.64 -1.25 -1.70 113.55 118.19 2ux1 h SER 77 Ca 0.08 -0.09 -0.13 0.00 -0.47 0.00 0.00 61.79 61.18 2ux1 h SER 77 Cb 0.64 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 2ux1 h SER 77 CO 0.04 0.66 -0.57 -0.33 -0.87 0.00 0.00 176.83 175.76 2ux1 h GLU 78 N 0.88 0.12 -0.44 4.77 5.08 -0.92 -1.22 114.58 122.85 2ux1 h GLU 78 Ca 0.23 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 2ux1 h GLU 78 Cb 0.03 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2ux1 h GLU 78 CO -0.04 0.66 0.15 -0.09 -1.00 0.00 0.00 179.01 178.69 2ux1 h ARG 79 N 0.09 0.68 -0.59 2.33 9.65 -0.95 -0.94 114.38 124.65 2ux1 h ARG 79 Ca -0.00 -0.14 0.05 0.00 -1.10 0.00 0.00 59.98 58.79 2ux1 h ARG 79 Cb 1.04 -0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 29.47 2ux1 h ARG 79 CO 0.08 0.65 0.31 1.25 2.80 0.00 0.00 179.97 185.05 2ux1 h LEU 80 N 0.57 0.44 -0.79 3.80 5.85 -0.85 0.25 115.31 124.59 2ux1 h LEU 80 Ca 0.14 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.95 2ux1 h LEU 80 Cb 0.24 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 2ux1 h LEU 80 CO -0.01 0.29 0.49 0.40 -0.34 0.00 0.00 178.44 179.27 2ux1 h ILE 81 N 0.58 1.05 -0.55 4.05 2.04 -1.05 0.91 117.51 124.55 2ux1 h ILE 81 Ca 0.26 -0.31 -0.09 0.00 1.00 0.00 0.00 64.86 65.72 2ux1 h ILE 81 Cb 0.17 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.29 2ux1 h ILE 81 CO -0.18 0.17 -0.01 0.74 0.00 0.00 0.00 178.15 178.87 2ux1 h THR 82 N 0.91 1.26 0.00 -0.27 2.02 0.00 -1.32 112.91 115.52 2ux1 h THR 82 Ca 0.34 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 66.41 2ux1 h THR 82 Cb 0.12 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 2ux1 h THR 82 CO -0.15 0.39 0.00 0.18 0.37 0.00 0.00 175.52 176.31 2ux1 n LEU 83 N -4.19 0.00 0.00 2.58 4.77 0.76 -4.88 117.00 116.05 2ux1 n LEU 83 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2ux1 n LEU 83 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2ux1 n LEU 83 CO 0.43 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2ux1 n GLY 84 N 0.44 0.66 3.53 -0.72 0.00 -0.50 -5.06 105.19 103.53 2ux1 n GLY 84 Ca 0.15 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.43 2ux1 n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ux1 n GLY 85 N -2.57 0.57 2.80 -0.02 0.00 0.27 -4.99 105.19 101.25 2ux1 n GLY 85 Ca 0.00 -2.01 -0.30 0.00 0.00 0.00 0.00 46.02 43.71 2ux1 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ux1 s ALA 86 N -3.17 1.97 0.47 4.61 0.00 -1.26 -4.39 121.76 119.98 2ux1 s ALA 86 Ca 0.61 -2.05 -0.23 0.00 0.00 0.00 0.00 51.96 50.28 2ux1 s ALA 86 Cb -0.03 -1.75 -0.07 0.00 0.00 0.00 0.00 23.12 21.26 2ux1 s ALA 86 CO 0.40 -1.75 1.28 -1.25 0.00 0.00 0.00 175.76 174.44 2ux1 s PRO 87 N 1.21 3.60 0.23 0.00 0.04 -1.26 -4.96 135.00 133.87 2ux1 s PRO 87 Ca 0.12 2.06 -0.31 0.00 0.04 0.00 0.00 61.00 62.90 2ux1 s PRO 87 Cb -0.19 -2.46 -0.14 0.00 0.04 0.00 0.00 34.50 31.75 2ux1 s PRO 87 CO -0.17 -0.76 1.28 1.19 0.04 0.00 0.00 177.00 178.58 2ux1 n PHE 88 N -0.49 1.81 -2.09 0.56 3.72 -1.26 -4.90 117.46 114.81 2ux1 n PHE 88 Ca 0.07 0.55 -0.01 0.00 -0.05 0.00 0.00 57.45 58.01 2ux1 n PHE 88 Cb 0.46 -2.38 -0.02 0.00 -0.94 0.00 0.00 39.48 36.60 2ux1 n PHE 88 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2ux1 n SER 89 N 1.89 -0.13 -4.16 4.37 3.41 -1.26 -4.94 113.62 112.80 2ux1 n SER 89 Ca 0.12 -1.67 -0.15 0.00 -0.26 0.00 0.00 58.87 56.90 2ux1 n SER 89 Cb 0.30 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.14 2ux1 n SER 89 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2ux1 s THR 90 N 0.00 0.96 0.28 6.66 -4.23 -1.26 -5.05 115.64 113.00 2ux1 s THR 90 Ca 0.06 -1.48 -0.02 0.00 -1.18 0.00 0.00 61.69 59.07 2ux1 s THR 90 Cb 0.07 -1.19 0.19 0.00 1.34 0.00 0.00 72.50 72.92 2ux1 s THR 90 CO -0.03 -0.43 1.88 -0.07 -0.54 0.00 0.00 174.62 175.42 2ux1 h LEU 91 N 3.89 0.87 -0.33 4.79 3.38 -1.99 -1.84 115.31 124.07 2ux1 h LEU 91 Ca -0.38 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 57.55 2ux1 h LEU 91 Cb 1.19 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.66 2ux1 h LEU 91 CO 0.48 0.75 -0.01 0.50 0.09 0.00 0.00 178.44 180.24 2ux1 h LYS 92 N 0.95 0.08 -0.66 1.13 3.64 -1.99 0.26 116.57 119.97 2ux1 h LYS 92 Ca 0.23 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.56 2ux1 h LYS 92 Cb 0.13 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 2ux1 h LYS 92 CO -0.03 0.05 0.22 0.93 -2.27 0.00 0.00 179.45 178.35 2ux1 h GLU 93 N 0.08 1.00 0.10 1.90 5.08 -1.86 -0.55 114.58 120.32 2ux1 h GLU 93 Ca 0.16 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2ux1 h GLU 93 Cb 0.23 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2ux1 h GLU 93 CO -0.28 0.85 -0.05 0.74 -1.00 0.00 0.00 179.01 179.27 2ux1 h PHE 94 N 0.97 -0.12 -0.25 4.33 0.04 -0.98 -2.34 116.94 118.59 2ux1 h PHE 94 Ca 0.22 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.97 2ux1 h PHE 94 Cb 0.25 0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 2ux1 h PHE 94 CO 0.02 0.12 0.08 1.03 -0.60 0.00 0.00 178.31 178.96 2ux1 h SER 95 N -0.35 0.37 0.73 2.17 0.87 -0.75 -0.50 113.55 116.08 2ux1 h SER 95 Ca -0.01 -0.21 -0.06 0.00 -1.23 0.00 0.00 61.79 60.28 2ux1 h SER 95 Cb 0.29 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 2ux1 h SER 95 CO 0.02 0.48 -0.27 -0.33 -0.53 0.00 0.00 176.83 176.21 2ux1 h GLU 96 N 0.24 0.00 0.00 2.24 5.08 -1.16 -3.22 114.58 117.76 2ux1 h GLU 96 Ca 0.08 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.36 2ux1 h GLU 96 Cb 0.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2ux1 h GLU 96 CO -0.00 0.27 -1.77 0.09 -1.00 0.00 0.00 179.01 176.59 2ux1 n ASN 97 N -3.55 0.30 -4.77 1.42 3.02 -0.88 -4.97 115.26 105.83 2ux1 n ASN 97 Ca -0.01 0.12 -0.39 0.00 -0.03 0.00 0.00 54.58 54.28 2ux1 n ASN 97 Cb 0.41 1.26 -0.03 0.00 -0.61 0.00 0.00 39.78 40.81 2ux1 n ASN 97 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2ux1 s SER 98 N -5.03 6.88 0.00 6.41 0.15 -0.21 -4.89 113.70 117.01 2ux1 s SER 98 Ca -0.06 2.29 0.26 0.00 0.70 0.00 0.00 55.95 59.15 2ux1 s SER 98 Cb 0.11 -2.62 0.76 0.00 -1.71 0.00 0.00 66.02 62.56 2ux1 s SER 98 CO 0.86 -0.42 1.57 0.00 1.20 0.00 0.00 173.24 176.45 2ux1 n GLN 99 N 0.56 0.59 -3.16 5.44 1.13 -1.26 -4.88 117.38 115.79 2ux1 n GLN 99 Ca 0.02 -0.33 -0.37 0.00 -1.94 0.00 0.00 57.00 54.38 2ux1 n GLN 99 Cb 0.46 -1.49 -0.06 0.00 0.11 0.00 0.00 30.24 29.26 2ux1 n GLN 99 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2ux1 s LEU 100 N -2.64 4.41 -0.10 1.08 1.43 -1.26 -5.07 118.68 116.53 2ux1 s LEU 100 Ca 0.21 1.36 -0.02 0.00 -1.03 0.00 0.00 54.13 54.65 2ux1 s LEU 100 Cb 0.19 -3.35 -0.03 0.00 0.03 0.00 0.00 46.19 43.03 2ux1 s LEU 100 CO 0.56 0.12 -0.03 -1.59 0.23 0.00 0.00 176.35 175.64 2ux1 s LYS 101 N -1.68 3.14 -0.04 1.70 0.00 -1.26 -5.07 119.74 116.53 2ux1 s LYS 101 Ca 0.38 -0.48 -0.01 0.00 0.00 0.00 0.00 55.97 55.86 2ux1 s LYS 101 Cb -0.18 -2.78 -0.04 0.00 0.00 0.00 0.00 37.83 34.84 2ux1 s LYS 101 CO 0.21 0.55 0.04 -1.21 0.00 0.00 0.00 175.35 174.94 2ux1 s GLU 102 N -0.47 3.00 0.21 1.78 2.02 -1.26 -5.10 118.70 118.88 2ux1 s GLU 102 Ca 0.08 -0.47 0.11 0.00 0.02 0.00 0.00 54.97 54.71 2ux1 s GLU 102 Cb -0.12 -2.82 -0.05 0.00 0.10 0.00 0.00 34.13 31.24 2ux1 s GLU 102 CO 0.02 0.67 -0.21 0.14 0.02 0.00 0.00 175.26 175.90 2ux1 s VAL 103 N -1.07 2.22 0.55 2.63 -7.23 -1.26 -5.12 120.40 111.12 2ux1 s VAL 103 Ca 0.19 -2.13 -0.21 0.00 -1.81 0.00 0.00 61.98 58.01 2ux1 s VAL 103 Cb -0.12 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.67 2ux1 s VAL 103 CO 0.09 -0.29 1.36 -0.76 -0.31 0.00 0.00 175.10 175.19 2ux1 s LEU 104 N -2.97 3.83 0.47 1.32 1.43 -1.26 -4.95 118.68 116.55 2ux1 s LEU 104 Ca 0.22 2.76 -0.23 0.00 -1.03 0.00 0.00 54.13 55.86 2ux1 s LEU 104 Cb -0.06 -4.30 -0.07 0.00 0.03 0.00 0.00 46.19 41.80 2ux1 s LEU 104 CO 0.10 -1.61 1.23 -0.83 0.23 0.00 0.00 176.35 175.47 2ux1 s GLY 105 N -0.97 2.83 -0.17 -3.19 0.00 -1.26 -5.04 107.32 99.52 2ux1 s GLY 105 Ca 0.72 1.07 -0.05 0.00 0.00 0.00 0.00 44.72 46.46 2ux1 s GLY 105 CO 0.47 1.56 0.33 -0.35 0.00 0.00 0.00 173.10 175.12 2ux1 s ASP 106 N -1.16 0.18 0.10 1.64 2.15 -1.26 -5.04 116.67 113.29 2ux1 s ASP 106 Ca 0.64 0.66 0.20 0.00 0.43 0.00 0.00 52.55 54.48 2ux1 s ASP 106 Cb -0.33 0.96 0.82 0.00 -0.30 0.00 0.00 42.92 44.07 2ux1 s ASP 106 CO 0.40 -0.25 1.62 -1.22 -0.17 0.00 0.00 175.17 175.55 2ux1 n TYR 107 N 5.37 0.34 1.05 -5.34 4.01 -1.26 -3.02 117.16 118.32 2ux1 n TYR 107 Ca -0.07 0.13 0.13 0.00 -0.16 0.00 0.00 57.90 57.93 2ux1 n TYR 107 Cb 0.50 -0.71 0.37 0.00 -0.31 0.00 0.00 39.34 39.19 2ux1 n TYR 107 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2ux1 n ASN 108 N -1.81 0.44 -4.76 7.72 3.02 -1.26 -4.54 115.26 114.07 2ux1 n ASN 108 Ca 0.03 -0.17 -0.41 0.00 -0.03 0.00 0.00 54.58 54.00 2ux1 n ASN 108 Cb 0.22 0.06 -0.01 0.00 -0.61 0.00 0.00 39.78 39.44 2ux1 n ASN 108 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2ux1 s VAL 109 N -2.92 2.18 0.66 2.41 1.01 -1.17 -4.99 120.40 117.59 2ux1 s VAL 109 Ca 0.14 0.16 -0.11 0.00 0.00 0.00 0.00 61.98 62.18 2ux1 s VAL 109 Cb 0.18 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 2ux1 s VAL 109 CO 0.63 0.03 1.05 0.42 0.00 0.00 0.00 175.10 177.23 2ux1 s THR 110 N -0.29 4.33 0.19 3.92 -4.23 -1.26 -4.58 115.64 113.71 2ux1 s THR 110 Ca 0.60 0.76 -0.13 0.00 -1.18 0.00 0.00 61.69 61.73 2ux1 s THR 110 Cb -0.46 -3.62 0.11 0.00 1.34 0.00 0.00 72.50 69.86 2ux1 s THR 110 CO 0.51 -0.99 1.72 0.40 -0.54 0.00 0.00 174.62 175.72 2ux1 h ILE 111 N -0.53 0.73 0.00 2.99 1.08 -1.92 -0.15 117.51 119.70 2ux1 h ILE 111 Ca -0.44 -0.08 -0.07 0.00 -0.39 0.00 0.00 64.86 63.88 2ux1 h ILE 111 Cb 1.20 0.47 -0.01 0.00 -3.07 0.00 0.00 36.82 35.41 2ux1 h ILE 111 CO 0.60 0.04 -0.33 -0.33 -0.69 0.00 0.00 178.15 177.44 2ux1 h GLU 112 N 0.24 0.00 -0.10 2.37 5.08 -1.94 0.41 114.58 120.64 2ux1 h GLU 112 Ca 0.25 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.41 2ux1 h GLU 112 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2ux1 h GLU 112 CO -0.32 0.33 -0.76 0.93 -1.00 0.00 0.00 179.01 178.19 2ux1 h GLU 113 N 0.00 0.54 -0.41 2.33 5.08 -1.70 -2.07 114.58 118.34 2ux1 h GLU 113 Ca -0.00 -0.45 -0.07 0.00 -1.00 0.00 0.00 59.36 57.84 2ux1 h GLU 113 Cb 0.66 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2ux1 h GLU 113 CO 0.04 1.07 -0.01 1.96 -1.00 0.00 0.00 179.01 181.08 2ux1 h GLN 114 N 0.37 0.73 -0.71 2.33 1.08 -0.30 -1.74 115.11 116.87 2ux1 h GLN 114 Ca -0.04 -0.24 -0.03 0.00 -1.45 0.00 0.00 58.65 56.89 2ux1 h GLN 114 Cb 1.35 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 28.69 2ux1 h GLN 114 CO 0.14 0.82 0.33 -0.07 -0.95 0.00 0.00 178.83 179.10 2ux1 h LEU 115 N 0.56 0.93 -1.00 1.46 3.38 -0.96 -1.71 115.31 117.97 2ux1 h LEU 115 Ca 0.11 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2ux1 h LEU 115 Cb 0.50 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2ux1 h LEU 115 CO 0.02 0.80 0.33 0.00 0.09 0.00 0.00 178.44 179.68 2ux1 h ALA 116 N 1.34 1.22 -0.47 1.53 0.00 -1.16 -0.79 119.26 120.93 2ux1 h ALA 116 Ca 0.25 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2ux1 h ALA 116 Cb 0.13 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2ux1 h ALA 116 CO -0.03 0.59 0.14 0.00 0.00 0.00 0.00 179.25 179.95 2ux1 h ARG 117 N 1.03 0.74 -0.31 0.00 3.08 -0.68 -0.40 114.38 117.83 2ux1 h ARG 117 Ca 0.25 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 2ux1 h ARG 117 Cb 0.13 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2ux1 h ARG 117 CO -0.03 0.70 0.17 0.28 -1.07 0.00 0.00 179.97 180.02 2ux1 h VAL 118 N 0.63 1.14 -0.76 2.04 2.07 -0.96 -1.64 116.25 118.78 2ux1 h VAL 118 Ca 0.15 -0.36 0.12 0.00 0.82 0.00 0.00 66.70 67.43 2ux1 h VAL 118 Cb 0.28 0.81 -0.08 0.00 -1.52 0.00 0.00 31.29 30.77 2ux1 h VAL 118 CO -0.00 0.14 0.36 0.58 0.02 0.00 0.00 177.57 178.66 2ux1 h VAL 119 N 0.38 0.76 -0.68 2.57 2.07 -0.95 0.23 116.25 120.62 2ux1 h VAL 119 Ca 0.11 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 2ux1 h VAL 119 Cb 0.07 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 2ux1 h VAL 119 CO -0.02 0.10 0.22 -0.33 0.02 0.00 0.00 177.57 177.56 2ux1 h GLU 120 N 0.56 1.06 -0.27 1.57 5.08 -0.64 0.11 114.58 122.04 2ux1 h GLU 120 Ca 0.40 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2ux1 h GLU 120 Cb 0.52 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2ux1 h GLU 120 CO -0.33 0.91 0.12 0.28 -1.00 0.00 0.00 179.01 178.98 2ux1 h VAL 121 N 0.99 1.16 -0.55 3.13 2.07 -0.65 -2.28 116.25 120.12 2ux1 h VAL 121 Ca 0.22 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 2ux1 h VAL 121 Cb 0.29 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2ux1 h VAL 121 CO -0.01 0.17 0.10 -0.26 0.02 0.00 0.00 177.57 177.58 2ux1 h PHE 122 N 0.29 0.92 -0.43 1.57 -1.00 -0.67 -0.92 116.94 116.69 2ux1 h PHE 122 Ca 0.09 -0.10 0.01 0.00 2.81 0.00 0.00 57.97 60.77 2ux1 h PHE 122 Cb 0.15 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 39.43 2ux1 h PHE 122 CO -0.01 0.78 0.28 0.00 -1.61 0.00 0.00 178.31 177.75 2ux1 h ARG 123 N 0.83 0.56 0.25 1.51 3.08 -0.65 -0.85 114.38 119.11 2ux1 h ARG 123 Ca 0.18 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2ux1 h ARG 123 Cb 0.36 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2ux1 h ARG 123 CO 0.01 0.37 -0.24 -0.92 -1.07 0.00 0.00 179.97 178.12 2ux1 h TYR 124 N 0.57 -0.63 -0.91 3.04 3.20 -0.88 -2.20 116.97 119.17 2ux1 h TYR 124 Ca 0.16 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.10 2ux1 h TYR 124 Cb -0.05 0.24 -0.06 0.00 1.54 0.00 0.00 36.73 38.40 2ux1 h TYR 124 CO -0.05 -0.35 0.59 -0.07 -1.64 0.00 0.00 178.16 176.64 2ux1 h LEU 125 N -0.51 0.91 -0.83 2.82 3.38 -1.03 0.11 115.31 120.17 2ux1 h LEU 125 Ca -0.01 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2ux1 h LEU 125 Cb 0.47 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 2ux1 h LEU 125 CO -0.05 0.59 0.42 0.00 0.09 0.00 0.00 178.44 179.49 2ux1 h ALA 126 N 1.51 1.06 -0.48 1.53 0.00 -0.94 0.12 119.26 122.07 2ux1 h ALA 126 Ca 0.39 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 2ux1 h ALA 126 Cb 0.19 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2ux1 h ALA 126 CO -0.15 0.61 -0.23 0.00 0.00 0.00 0.00 179.25 179.48 2ux1 h ALA 127 N 1.22 0.68 -0.78 0.00 0.00 -0.69 0.01 119.26 119.70 2ux1 h ALA 127 Ca 0.29 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 2ux1 h ALA 127 Cb 0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2ux1 h ALA 127 CO -0.04 0.68 0.34 1.25 0.00 0.00 0.00 179.25 181.48 2ux1 h LEU 128 N 0.86 1.06 -0.65 0.00 5.85 -0.26 -1.75 115.31 120.42 2ux1 h LEU 128 Ca 0.11 -0.16 -0.14 0.00 0.84 0.00 0.00 57.88 58.53 2ux1 h LEU 128 Cb 0.81 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2ux1 h LEU 128 CO 0.07 0.93 -0.44 -0.26 -0.34 0.00 0.00 178.44 178.40 2ux1 h PHE 129 N 1.13 0.66 -0.15 1.25 0.04 -0.65 0.15 116.94 119.37 2ux1 h PHE 129 Ca 0.26 -0.20 0.03 0.00 2.80 0.00 0.00 57.97 60.86 2ux1 h PHE 129 Cb 0.18 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.16 2ux1 h PHE 129 CO 0.02 0.89 -0.02 0.37 -0.60 0.00 0.00 178.31 178.97 2ux1 h GLN 130 N 0.45 0.02 -0.43 1.51 5.75 -0.67 0.48 115.11 122.22 2ux1 h GLN 130 Ca 0.03 -0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.47 2ux1 h GLN 130 Cb 0.94 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.47 2ux1 h GLN 130 CO 0.08 0.01 0.00 0.87 -2.65 0.00 0.00 178.83 177.15 2ux1 h LYS 131 N 0.02 0.69 -0.75 1.69 1.57 -1.16 -1.02 116.57 117.61 2ux1 h LYS 131 Ca 0.07 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2ux1 h LYS 131 Cb 0.10 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 2ux1 h LYS 131 CO -0.14 0.71 0.41 0.78 -0.57 0.00 0.00 179.45 180.64 2ux1 h GLY 132 N 0.93 1.12 0.89 3.86 0.00 -0.64 0.14 103.07 109.37 2ux1 h GLY 132 Ca 0.13 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 2ux1 h GLY 132 CO 0.02 0.49 -0.23 -2.75 0.00 0.00 0.00 176.54 174.07 2ux1 h PHE 133 N 1.04 -0.59 -0.51 5.60 3.57 -0.39 -1.21 116.94 124.44 2ux1 h PHE 133 Ca 0.26 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.78 2ux1 h PHE 133 Cb 0.04 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 2ux1 h PHE 133 CO -0.00 -0.31 0.30 -0.44 -2.23 0.00 0.00 178.31 175.62 2ux1 h ASP 134 N -0.76 0.47 0.20 0.41 3.32 -1.03 0.32 116.42 119.34 2ux1 h ASP 134 Ca -0.07 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 2ux1 h ASP 134 Cb 0.55 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2ux1 h ASP 134 CO 0.11 0.33 -0.09 0.58 -1.72 0.00 0.00 179.24 178.44 2ux1 h VAL 135 N 0.58 0.88 -0.80 -1.35 2.07 -0.72 -1.72 116.25 115.19 2ux1 h VAL 135 Ca 0.21 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2ux1 h VAL 135 Cb 0.05 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 2ux1 h VAL 135 CO -0.11 0.10 0.50 0.77 0.02 0.00 0.00 177.57 178.85 2ux1 h SER 136 N -0.48 0.95 -0.13 0.57 4.64 -1.11 -2.20 113.55 115.80 2ux1 h SER 136 Ca -0.03 -0.04 0.03 0.00 -0.47 0.00 0.00 61.79 61.28 2ux1 h SER 136 Cb 0.36 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 2ux1 h SER 136 CO 0.04 0.71 -0.03 -0.78 -0.87 0.00 0.00 176.83 175.90 2ux1 h ASP 137 N 1.10 -0.12 0.58 4.97 3.58 -0.28 -1.06 116.42 125.20 2ux1 h ASP 137 Ca 0.29 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.77 2ux1 h ASP 137 Cb -0.08 0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 2ux1 h ASP 137 CO -0.06 -0.04 -0.03 -0.33 -2.88 0.00 0.00 179.24 175.90 2ux1 h GLU 138 N -0.00 0.00 -0.02 0.28 4.39 -0.90 -2.47 114.58 115.86 2ux1 h GLU 138 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2ux1 h GLU 138 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2ux1 h GLU 138 CO -0.13 0.03 -0.16 0.39 -1.16 0.00 0.00 179.01 177.98 2ux1 n GLU 139 N -3.20 1.91 -1.11 2.33 1.02 -0.86 -4.96 120.64 115.77 2ux1 n GLU 139 Ca -0.01 -1.55 -0.04 0.00 -0.02 0.00 0.00 57.16 55.54 2ux1 n GLU 139 Cb 0.23 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.16 2ux1 n GLU 139 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ux1 n GLY 140 N 1.36 0.67 3.42 0.62 0.00 -0.81 -4.86 105.19 105.60 2ux1 n GLY 140 Ca 0.13 -0.73 -0.45 0.00 0.00 0.00 0.00 46.02 44.97 2ux1 n GLY 140 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ux1 s ASP 141 N -2.80 6.85 0.28 1.61 -1.08 -0.47 -4.86 116.67 116.20 2ux1 s ASP 141 Ca 0.00 -2.60 0.12 0.00 -0.52 0.00 0.00 52.55 49.55 2ux1 s ASP 141 Cb 0.00 -2.34 0.37 0.00 -1.46 0.00 0.00 42.92 39.49 2ux1 s ASP 141 CO 0.00 -0.80 1.61 0.77 0.52 0.00 0.00 175.17 177.27 2ux1 h SER 142 N 7.94 0.00 0.45 -0.34 4.64 -1.94 -1.91 113.55 122.40 2ux1 h SER 142 Ca 0.19 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.49 2ux1 h SER 142 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2ux1 h SER 142 CO 1.06 0.60 -0.22 0.58 -0.87 0.00 0.00 176.83 177.98 2ux1 h VAL 143 N 0.00 0.53 -0.87 0.95 2.07 -1.96 -1.73 116.25 115.23 2ux1 h VAL 143 Ca -0.01 -0.25 0.13 0.00 0.82 0.00 0.00 66.70 67.39 2ux1 h VAL 143 Cb 1.11 0.65 -0.09 0.00 -1.52 0.00 0.00 31.29 31.45 2ux1 h VAL 143 CO 0.08 0.04 0.48 0.74 0.02 0.00 0.00 177.57 178.93 2ux1 h THR 144 N -0.76 0.80 -0.73 2.57 2.02 -1.95 -1.57 112.91 113.29 2ux1 h THR 144 Ca -0.06 -0.25 0.11 0.00 0.77 0.00 0.00 66.41 66.98 2ux1 h THR 144 Cb 0.54 0.01 -0.08 0.00 -1.74 0.00 0.00 68.15 66.88 2ux1 h THR 144 CO 0.10 0.13 0.34 -1.13 0.37 0.00 0.00 175.52 175.34 2ux1 h ASN 145 N 0.72 0.41 -0.24 4.18 -0.73 -1.17 -1.95 115.58 116.81 2ux1 h ASN 145 Ca 0.46 0.08 -0.14 0.00 1.87 0.00 0.00 56.30 58.56 2ux1 h ASN 145 Cb 0.57 0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.17 2ux1 h ASN 145 CO -0.32 0.22 -0.42 -0.78 -0.37 0.00 0.00 177.43 175.76 2ux1 h ASP 146 N 0.56 0.77 -0.13 1.15 1.82 -0.38 -1.68 116.42 118.53 2ux1 h ASP 146 Ca 0.37 -0.53 0.04 0.00 -0.39 0.00 0.00 57.03 56.52 2ux1 h ASP 146 Cb 0.45 -0.22 -0.07 0.00 0.68 0.00 0.00 39.33 40.17 2ux1 h ASP 146 CO -0.31 1.16 -0.43 0.40 -1.61 0.00 0.00 179.24 178.46 2ux1 h ILE 147 N 0.41 0.14 -1.01 2.25 2.04 -1.11 0.36 117.51 120.59 2ux1 h ILE 147 Ca 0.01 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.96 2ux1 h ILE 147 Cb 1.02 0.14 -0.07 0.00 -0.74 0.00 0.00 36.82 37.16 2ux1 h ILE 147 CO 0.09 0.00 0.65 -0.26 0.00 0.00 0.00 178.15 178.63 2ux1 h PHE 148 N -0.50 1.19 -0.56 1.37 0.04 -1.34 -2.50 116.94 114.64 2ux1 h PHE 148 Ca 0.07 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.83 2ux1 h PHE 148 Cb 0.63 -0.38 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 2ux1 h PHE 148 CO -0.49 0.56 0.16 -0.97 -0.60 0.00 0.00 178.31 176.96 2ux1 h ASN 149 N 1.11 0.84 -0.48 2.17 -1.24 -0.32 -0.78 115.58 116.88 2ux1 h ASN 149 Ca 0.46 -0.22 -0.09 0.00 0.71 0.00 0.00 56.30 57.16 2ux1 h ASN 149 Cb 0.29 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.11 2ux1 h ASN 149 CO -0.21 0.84 -0.05 0.58 -1.29 0.00 0.00 177.43 177.30 2ux1 h VAL 150 N 0.80 1.27 -0.13 2.57 2.07 -0.79 -2.37 116.25 119.67 2ux1 h VAL 150 Ca 0.18 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 2ux1 h VAL 150 Cb 0.31 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2ux1 h VAL 150 CO -0.00 0.40 0.04 0.00 0.02 0.00 0.00 177.57 178.03 2ux1 h ALA 151 N 0.91 0.17 -0.77 1.67 0.00 -1.35 -2.77 119.26 117.12 2ux1 h ALA 151 Ca 0.13 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.97 2ux1 h ALA 151 Cb 0.58 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 2ux1 h ALA 151 CO 0.03 -0.22 0.47 -0.22 0.00 0.00 0.00 179.25 179.32 2ux1 h LYS 152 N 0.04 0.87 -0.34 0.00 3.64 -1.11 -0.81 116.57 118.86 2ux1 h LYS 152 Ca 0.04 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 2ux1 h LYS 152 Cb 0.21 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 2ux1 h LYS 152 CO -0.00 0.57 0.16 0.00 -2.27 0.00 0.00 179.45 177.91 2ux1 h ALA 153 N 1.35 0.41 -0.12 5.00 0.00 -1.29 -0.81 119.26 123.82 2ux1 h ALA 153 Ca 0.33 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 2ux1 h ALA 153 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2ux1 h ALA 153 CO -0.15 -0.22 -0.21 1.03 0.00 0.00 0.00 179.25 179.70 2ux1 h SER 154 N 0.33 0.39 -0.92 0.00 0.87 -1.16 -2.11 113.55 110.94 2ux1 h SER 154 Ca 0.15 -0.55 0.14 0.00 -1.23 0.00 0.00 61.79 60.30 2ux1 h SER 154 Cb 0.07 -0.11 -0.09 0.00 -0.44 0.00 0.00 62.40 61.83 2ux1 h SER 154 CO -0.11 0.86 0.53 0.40 -0.53 0.00 0.00 176.83 177.99 2ux1 h ILE 155 N -0.07 0.81 -0.20 2.23 1.08 -1.05 -0.11 117.51 120.19 2ux1 h ILE 155 Ca 0.01 -0.27 -0.17 0.00 -0.39 0.00 0.00 64.86 64.03 2ux1 h ILE 155 Cb 0.79 -0.05 -0.00 0.00 -3.07 0.00 0.00 36.82 34.49 2ux1 h ILE 155 CO 0.05 0.14 -0.58 -0.33 -0.69 0.00 0.00 178.15 176.74 2ux1 h GLU 156 N 0.78 0.65 -0.85 2.37 5.08 -1.06 -0.99 114.58 120.56 2ux1 h GLU 156 Ca 0.49 -0.43 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2ux1 h GLU 156 Cb 0.61 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 2ux1 h GLU 156 CO -0.32 1.05 0.56 -0.22 -1.00 0.00 0.00 179.01 179.08 2ux1 h LYS 157 N 0.49 1.12 -0.76 2.33 3.64 -0.73 -2.00 116.57 120.66 2ux1 h LYS 157 Ca 0.00 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 2ux1 h LYS 157 Cb 1.15 -0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 32.69 2ux1 h LYS 157 CO 0.12 0.74 0.38 0.45 -2.27 0.00 0.00 179.45 178.87 2ux1 h HIS 158 N 1.15 1.06 -0.35 1.91 3.86 -0.54 -2.59 115.15 119.64 2ux1 h HIS 158 Ca 0.31 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.48 2ux1 h HIS 158 Cb -0.13 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 27.99 2ux1 h HIS 158 CO -0.01 0.76 0.20 0.82 0.86 0.00 0.00 177.93 180.55 2ux1 h ILE 159 N 1.07 1.13 -0.49 2.45 2.04 -0.67 -0.23 117.51 122.81 2ux1 h ILE 159 Ca 0.26 -0.34 0.08 0.00 1.00 0.00 0.00 64.86 65.87 2ux1 h ILE 159 Cb 0.08 0.72 -0.07 0.00 -0.74 0.00 0.00 36.82 36.81 2ux1 h ILE 159 CO -0.04 0.14 0.10 -0.25 0.00 0.00 0.00 178.15 178.10 2ux1 h TRP 160 N 0.45 0.15 -0.24 1.37 7.01 -1.12 -0.21 115.95 123.36 2ux1 h TRP 160 Ca 0.12 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 61.09 2ux1 h TRP 160 Cb 0.04 0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.10 2ux1 h TRP 160 CO -0.03 -0.01 -0.09 0.52 -2.79 0.00 0.00 178.44 176.04 2ux1 h MET 161 N 0.23 0.48 -0.68 2.65 2.86 -1.06 0.42 114.93 119.83 2ux1 h MET 161 Ca 0.25 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2ux1 h MET 161 Cb 0.33 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 2ux1 h MET 161 CO -0.32 0.74 0.38 -0.07 1.06 0.00 0.00 176.91 178.69 2ux1 h LEU 162 N 0.21 0.85 -0.88 1.22 3.38 -0.93 -0.62 115.31 118.55 2ux1 h LEU 162 Ca 0.06 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 2ux1 h LEU 162 Cb 0.58 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2ux1 h LEU 162 CO 0.03 0.70 -0.04 1.56 0.09 0.00 0.00 178.44 180.78 2ux1 h GLN 163 N 0.94 0.79 -0.37 1.13 1.08 -0.93 -2.19 115.11 115.56 2ux1 h GLN 163 Ca 0.24 -0.23 -0.03 0.00 -1.45 0.00 0.00 58.65 57.18 2ux1 h GLN 163 Cb 0.04 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 2ux1 h GLN 163 CO -0.04 0.82 0.12 0.00 -0.95 0.00 0.00 178.83 178.78 2ux1 h ALA 164 N 1.22 0.48 -0.75 3.87 0.00 -0.47 0.29 119.26 123.90 2ux1 h ALA 164 Ca 0.13 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.01 2ux1 h ALA 164 Cb 0.50 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.07 2ux1 h ALA 164 CO 0.03 0.12 0.34 1.49 0.00 0.00 0.00 179.25 181.22 2ux1 h GLU 165 N 0.44 0.51 0.00 0.00 4.57 -0.95 -0.37 114.58 118.78 2ux1 h GLU 165 Ca 0.12 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 2ux1 h GLU 165 Cb 0.25 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 2ux1 h GLU 165 CO -0.00 0.34 0.00 1.28 -1.18 0.00 0.00 179.01 179.44 2ux1 n LEU 166 N -4.93 0.00 -0.79 1.64 4.77 -0.84 -4.88 117.00 111.97 2ux1 n LEU 166 Ca 0.13 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.04 2ux1 n LEU 166 Cb 0.37 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.44 2ux1 n LEU 166 CO 0.21 0.00 -0.09 0.61 -1.33 0.00 0.00 177.39 176.79 2ux1 n GLY 167 N 0.50 0.42 3.34 -0.72 0.00 -0.15 -5.03 105.19 103.55 2ux1 n GLY 167 Ca 0.08 -0.61 -0.18 0.00 0.00 0.00 0.00 46.02 45.31 2ux1 n GLY 167 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ux1 s GLN 168 N -3.71 1.31 0.73 1.61 -0.21 0.94 -4.99 119.66 115.34 2ux1 s GLN 168 Ca 0.00 -1.61 -0.11 0.00 0.02 0.00 0.00 55.36 53.66 2ux1 s GLN 168 Cb 0.00 -0.95 0.03 0.00 1.00 0.00 0.00 33.01 33.09 2ux1 s GLN 168 CO 0.00 0.09 1.08 0.00 -2.12 0.00 0.00 175.29 174.34 2ux1 s ALA 169 N -3.12 2.45 0.24 6.09 0.00 -1.26 -3.17 121.76 123.00 2ux1 s ALA 169 Ca 0.23 0.20 -0.06 0.00 0.00 0.00 0.00 51.96 52.33 2ux1 s ALA 169 Cb 0.02 -3.23 0.28 0.00 0.00 0.00 0.00 23.12 20.18 2ux1 s ALA 169 CO 0.07 -1.50 1.90 -1.35 0.00 0.00 0.00 175.76 174.87 2ux1 h PRO 170 N -0.89 1.17 -6.18 0.00 0.11 -1.88 -3.46 132.00 120.87 2ux1 h PRO 170 Ca -0.44 -0.07 -0.44 0.00 0.11 0.00 0.00 66.00 65.16 2ux1 h PRO 170 Cb 1.22 -0.26 0.02 0.00 0.11 0.00 0.00 31.00 32.09 2ux1 h PRO 170 CO 0.54 0.78 -0.82 1.63 -0.21 0.00 0.00 178.00 179.91 2ux1 n LYS 171 N -4.47 -4.83 0.00 1.05 5.02 -1.26 -4.85 118.16 108.81 2ux1 n LYS 171 Ca 0.12 0.59 0.06 0.00 -2.02 0.00 0.00 58.31 57.06 2ux1 n LYS 171 Cb 0.07 -5.16 0.38 0.00 -0.02 0.00 0.00 35.03 30.30 2ux1 n LYS 171 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16