#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ux1 h ALA 23 N 0.00 0.71 -2.49 -1.18 0.00 -2.00 -3.47 119.26 110.83 2ux1 h ALA 23 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2ux1 h ALA 23 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2ux1 h ALA 23 CO 0.00 0.90 0.00 -0.40 0.00 0.00 0.00 179.25 179.75 2ux1 n ASP 24 N -3.68 0.00 -0.14 0.00 5.68 -1.26 -5.03 116.55 112.12 2ux1 n ASP 24 Ca -0.02 -0.85 -0.11 0.00 -0.50 0.00 0.00 54.79 53.31 2ux1 n ASP 24 Cb 0.73 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.70 2ux1 n ASP 24 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2ux1 h SER 25 N 0.00 0.86 -0.85 -1.12 0.02 -1.94 -2.20 113.55 108.32 2ux1 h SER 25 Ca 0.00 -0.38 -0.03 0.00 -0.84 0.00 0.00 61.79 60.54 2ux1 h SER 25 Cb 0.00 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.26 2ux1 h SER 25 CO 0.00 1.05 0.41 0.11 -1.14 0.00 0.00 176.83 177.26 2ux1 h LYS 26 N 0.67 1.23 -0.47 3.45 1.57 -1.98 -0.27 116.57 120.77 2ux1 h LYS 26 Ca 0.10 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2ux1 h LYS 26 Cb 0.69 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2ux1 h LYS 26 CO 0.05 0.94 0.18 0.00 -0.57 0.00 0.00 179.45 180.06 2ux1 h ALA 27 N 1.22 0.61 -0.08 3.86 0.00 -1.89 -1.75 119.26 121.23 2ux1 h ALA 27 Ca 0.29 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 2ux1 h ALA 27 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2ux1 h ALA 27 CO -0.04 0.23 -0.66 -0.24 0.00 0.00 0.00 179.25 178.54 2ux1 h VAL 28 N 0.62 1.38 -0.38 0.00 3.04 -1.21 -1.49 116.25 118.21 2ux1 h VAL 28 Ca 0.16 -2.06 0.02 0.00 -1.01 0.00 0.00 66.70 63.81 2ux1 h VAL 28 Cb 0.21 2.05 -0.03 0.00 -2.01 0.00 0.00 31.29 31.50 2ux1 h VAL 28 CO -0.01 0.62 0.21 -0.07 -1.01 0.00 0.00 177.57 177.30 2ux1 h LEU 29 N 0.24 0.32 -1.14 3.16 3.38 -0.90 -0.22 115.31 120.15 2ux1 h LEU 29 Ca -0.02 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2ux1 h LEU 29 Cb 1.21 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 2ux1 h LEU 29 CO 0.11 0.23 -0.12 -1.13 0.09 0.00 0.00 178.44 177.62 2ux1 h ASN 30 N 0.42 0.44 -0.39 -0.43 -1.24 -1.22 -0.59 115.58 112.57 2ux1 h ASN 30 Ca 0.16 -0.11 -0.02 0.00 0.71 0.00 0.00 56.30 57.04 2ux1 h ASN 30 Cb 0.04 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 38.95 2ux1 h ASN 30 CO -0.09 0.60 0.17 -0.61 -1.29 0.00 0.00 177.43 176.21 2ux1 h GLN 31 N 0.43 0.58 -0.71 6.67 5.75 -0.90 -1.85 115.11 125.08 2ux1 h GLN 31 Ca 0.08 -0.10 -0.05 0.00 -0.15 0.00 0.00 58.65 58.43 2ux1 h GLN 31 Cb 0.47 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.89 2ux1 h GLN 31 CO 0.03 0.53 0.23 0.00 -2.65 0.00 0.00 178.83 176.97 2ux1 h ALA 32 N 1.02 1.08 -0.15 3.38 0.00 -0.42 0.13 119.26 124.31 2ux1 h ALA 32 Ca 0.13 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.88 2ux1 h ALA 32 Cb 0.16 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 2ux1 h ALA 32 CO -0.01 0.63 -0.19 0.28 0.00 0.00 0.00 179.25 179.96 2ux1 h VAL 33 N 1.04 0.51 0.19 0.00 2.07 -0.84 0.32 116.25 119.54 2ux1 h VAL 33 Ca 0.23 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.76 2ux1 h VAL 33 Cb 0.27 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2ux1 h VAL 33 CO -0.01 0.00 -0.21 0.00 0.02 0.00 0.00 177.57 177.37 2ux1 h ALA 34 N 0.79 -0.41 -0.28 1.67 0.00 -0.89 -2.14 119.26 117.99 2ux1 h ALA 34 Ca 0.10 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2ux1 h ALA 34 Cb 0.39 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2ux1 h ALA 34 CO -0.28 -0.76 -0.20 -0.44 0.00 0.00 0.00 179.25 177.56 2ux1 h ASP 35 N -0.44 0.50 0.08 0.00 3.32 -0.81 -2.26 116.42 116.83 2ux1 h ASP 35 Ca 0.00 -0.16 -0.13 0.00 0.02 0.00 0.00 57.03 56.76 2ux1 h ASP 35 Cb 0.41 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 2ux1 h ASP 35 CO -0.06 0.72 -0.45 -0.07 -1.72 0.00 0.00 179.24 177.66 2ux1 h LEU 36 N 0.46 0.48 -0.39 1.55 3.38 -0.36 0.23 115.31 120.65 2ux1 h LEU 36 Ca 0.07 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 2ux1 h LEU 36 Cb 0.61 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2ux1 h LEU 36 CO 0.04 0.87 0.14 0.28 0.09 0.00 0.00 178.44 179.86 2ux1 h SER 37 N 0.36 0.56 -0.19 -0.43 0.02 -1.14 0.33 113.55 113.06 2ux1 h SER 37 Ca 0.02 -0.19 -0.19 0.00 -0.84 0.00 0.00 61.79 60.60 2ux1 h SER 37 Cb 0.94 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.34 2ux1 h SER 37 CO 0.08 0.60 -0.61 0.58 -1.14 0.00 0.00 176.83 176.34 2ux1 h VAL 38 N 0.49 1.28 -0.50 2.27 2.07 -1.29 -2.41 116.25 118.17 2ux1 h VAL 38 Ca 0.13 -1.81 0.07 0.00 0.82 0.00 0.00 66.70 65.90 2ux1 h VAL 38 Cb 0.22 1.75 -0.06 0.00 -1.52 0.00 0.00 31.29 31.69 2ux1 h VAL 38 CO -0.01 0.58 0.18 0.00 0.02 0.00 0.00 177.57 178.35 2ux1 h ALA 39 N 0.71 0.61 -0.43 1.67 0.00 -0.45 -0.42 119.26 120.95 2ux1 h ALA 39 Ca -0.00 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.04 2ux1 h ALA 39 Cb 1.22 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 2ux1 h ALA 39 CO 0.13 -0.21 0.10 1.25 0.00 0.00 0.00 179.25 180.52 2ux1 h HIS 40 N 0.36 0.17 -0.83 0.00 6.17 -0.85 -0.87 115.15 119.29 2ux1 h HIS 40 Ca 0.24 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.36 2ux1 h HIS 40 Cb 0.25 -0.01 -0.04 0.00 2.52 0.00 0.00 27.41 30.13 2ux1 h HIS 40 CO -0.16 0.03 0.55 1.03 0.71 0.00 0.00 177.93 180.08 2ux1 h SER 41 N 0.24 0.93 -0.30 3.26 0.87 -0.83 0.04 113.55 117.76 2ux1 h SER 41 Ca 0.21 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.71 2ux1 h SER 41 Cb 0.25 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 2ux1 h SER 41 CO -0.26 0.67 0.05 0.40 -0.53 0.00 0.00 176.83 177.15 2ux1 h ILE 42 N 1.10 1.23 -0.79 2.23 2.04 -0.63 -0.07 117.51 122.62 2ux1 h ILE 42 Ca 0.31 -0.80 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 2ux1 h ILE 42 Cb -0.09 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 2ux1 h ILE 42 CO -0.08 0.26 0.41 -0.07 0.00 0.00 0.00 178.15 178.67 2ux1 h LEU 43 N 0.33 1.01 -0.54 1.44 3.38 -0.84 -1.07 115.31 119.02 2ux1 h LEU 43 Ca 0.09 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 2ux1 h LEU 43 Cb 0.34 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2ux1 h LEU 43 CO 0.01 0.83 -0.09 -0.74 0.09 0.00 0.00 178.44 178.54 2ux1 h HIS 44 N 1.12 1.12 -0.39 1.13 2.76 -0.75 -0.25 115.15 119.88 2ux1 h HIS 44 Ca 0.28 -0.23 0.06 0.00 -2.20 0.00 0.00 60.37 58.28 2ux1 h HIS 44 Cb 0.07 -0.28 -0.05 0.00 1.55 0.00 0.00 27.41 28.69 2ux1 h HIS 44 CO 0.01 1.04 0.06 0.37 -1.30 0.00 0.00 177.93 178.11 2ux1 h GLN 45 N 0.88 0.18 -0.46 5.26 4.15 -0.43 -2.37 115.11 122.31 2ux1 h GLN 45 Ca 0.14 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.58 2ux1 h GLN 45 Cb 0.65 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.27 2ux1 h GLN 45 CO 0.04 0.12 0.26 0.28 -1.93 0.00 0.00 178.83 177.60 2ux1 h VAL 46 N 0.18 1.01 -0.74 2.39 2.07 -0.93 -0.42 116.25 119.81 2ux1 h VAL 46 Ca 0.19 -0.18 0.15 0.00 0.82 0.00 0.00 66.70 67.69 2ux1 h VAL 46 Cb 0.23 0.46 -0.10 0.00 -1.52 0.00 0.00 31.29 30.36 2ux1 h VAL 46 CO -0.26 0.09 0.24 -0.74 0.02 0.00 0.00 177.57 176.92 2ux1 h HIS 47 N 0.51 0.39 0.15 1.57 -0.00 -0.75 -2.39 115.15 114.63 2ux1 h HIS 47 Ca 0.19 0.04 -0.24 0.00 -0.00 0.00 0.00 60.37 60.36 2ux1 h HIS 47 Cb 0.06 -0.06 0.01 0.00 -0.00 0.00 0.00 27.41 27.42 2ux1 h HIS 47 CO -0.08 -0.02 -1.15 -1.49 -0.00 0.00 0.00 177.93 175.19 2ux1 h TRP 48 N 0.35 0.57 -0.01 5.26 6.55 -1.08 -3.38 115.95 124.21 2ux1 h TRP 48 Ca 0.42 -0.42 0.00 0.00 0.95 0.00 0.00 58.89 59.84 2ux1 h TRP 48 Cb 0.68 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 28.96 2ux1 h TRP 48 CO -0.21 1.44 -0.19 0.66 -1.05 0.00 0.00 178.44 179.09 2ux1 n TYR 49 N -3.98 0.00 -2.00 0.49 4.01 -0.20 -4.93 117.16 110.55 2ux1 n TYR 49 Ca -0.19 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.14 2ux1 n TYR 49 Cb 0.90 -0.09 -0.02 0.00 -0.31 0.00 0.00 39.34 39.81 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 -2.37 4.26 -0.03 -0.72 1.75 -0.91 -4.34 119.30 116.95 2ux1 s MET 50 Ca 0.28 2.31 -0.03 0.00 -1.25 0.00 0.00 55.69 57.00 2ux1 s MET 50 Cb 0.20 -3.12 0.01 0.00 2.84 0.00 0.00 34.83 34.75 2ux1 s MET 50 CO 0.47 -0.46 0.08 1.03 -0.65 0.00 0.00 175.02 175.50 2ux1 s ARG 51 N -0.10 0.16 0.00 4.11 0.52 -1.26 -5.04 118.95 117.35 2ux1 s ARG 51 Ca 0.61 0.00 0.00 0.00 -0.52 0.00 0.00 55.73 55.83 2ux1 s ARG 51 Cb -0.42 0.07 0.00 0.00 0.52 0.00 0.00 34.95 35.12 2ux1 s ARG 51 CO 0.41 -0.03 0.00 0.41 0.02 0.00 0.00 175.30 176.11 2ux1 n GLY 52 N 2.73 3.10 3.71 -3.53 0.00 -1.26 -3.77 105.19 106.17 2ux1 n GLY 52 Ca -0.14 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 2ux1 n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ux1 s ARG 53 N -2.13 4.13 0.00 1.61 1.81 -1.26 -1.48 118.95 121.63 2ux1 s ARG 53 Ca 0.00 2.59 0.00 0.00 -1.72 0.00 0.00 55.73 56.60 2ux1 s ARG 53 Cb 0.00 -3.32 0.00 0.00 -0.45 0.00 0.00 34.95 31.18 2ux1 s ARG 53 CO 0.00 -0.79 0.00 0.41 -0.68 0.00 0.00 175.30 174.24 2ux1 n GLY 54 N 4.08 1.40 0.26 -3.53 0.00 -1.26 -4.94 105.19 101.20 2ux1 n GLY 54 Ca 0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.22 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 0.13 0.00 1.61 3.57 -1.63 -0.02 116.94 120.61 2ux1 h PHE 55 Ca 0.00 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 2ux1 h PHE 55 Cb 0.00 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 2ux1 h PHE 55 CO 0.00 -0.12 -0.19 1.98 -2.23 0.00 0.00 178.31 177.74 2ux1 h MET 56 N 0.20 0.00 0.08 1.11 4.05 -1.94 0.16 114.93 118.59 2ux1 h MET 56 Ca 0.38 0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.64 2ux1 h MET 56 Cb 0.63 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.44 2ux1 h MET 56 CO -0.52 0.19 -0.77 0.82 0.23 0.00 0.00 176.91 176.86 2ux1 h ILE 57 N 0.00 1.42 0.00 1.77 1.08 -1.86 -3.40 117.51 116.51 2ux1 h ILE 57 Ca -0.00 -2.42 -0.19 0.00 -0.39 0.00 0.00 64.86 61.86 2ux1 h ILE 57 Cb 0.36 3.05 -0.03 0.00 -3.07 0.00 0.00 36.82 37.12 2ux1 h ILE 57 CO 0.03 0.64 -1.16 -0.50 -0.69 0.00 0.00 178.15 176.47 2ux1 h TRP 58 N -0.59 0.00 0.19 1.37 4.06 -0.57 -2.96 115.95 117.45 2ux1 h TRP 58 Ca -0.16 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.79 2ux1 h TRP 58 Cb 1.46 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.59 2ux1 h TRP 58 CO 0.19 0.74 -0.43 1.25 -3.56 0.00 0.00 178.44 176.64 2ux1 h HIS 59 N 0.00 -1.23 0.00 0.49 2.76 -0.91 -2.04 115.15 114.22 2ux1 h HIS 59 Ca -0.12 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.05 2ux1 h HIS 59 Cb 1.67 0.51 -0.00 0.00 1.55 0.00 0.00 27.41 31.14 2ux1 h HIS 59 CO 0.00 -0.51 -0.15 -1.00 -1.30 0.00 0.00 177.93 174.97 2ux1 h PRO 60 N -0.68 0.00 -0.66 5.26 0.13 -1.78 -2.74 132.00 131.52 2ux1 h PRO 60 Ca -0.02 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.07 2ux1 h PRO 60 Cb 0.65 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.75 2ux1 h PRO 60 CO -0.18 0.15 0.25 -0.22 -0.23 0.00 0.00 178.00 177.77 2ux1 h LYS 61 N 0.00 0.98 -0.78 0.86 1.63 -1.31 -1.72 116.57 116.23 2ux1 h LYS 61 Ca -0.00 -0.17 0.07 0.00 -0.85 0.00 0.00 60.65 59.70 2ux1 h LYS 61 Cb 0.29 -0.16 -0.05 0.00 -0.60 0.00 0.00 32.23 31.71 2ux1 h LYS 61 CO 0.02 0.81 0.51 0.52 -3.45 0.00 0.00 179.45 177.86 2ux1 h MET 62 N 0.96 0.79 -0.73 1.90 2.86 -1.05 -0.60 114.93 119.06 2ux1 h MET 62 Ca 0.22 -0.05 0.05 0.00 -2.06 0.00 0.00 59.70 57.86 2ux1 h MET 62 Cb 0.20 -0.18 -0.05 0.00 0.06 0.00 0.00 31.60 31.63 2ux1 h MET 62 CO -0.02 0.52 0.44 -0.44 1.06 0.00 0.00 176.91 178.48 2ux1 h ASP 63 N 0.81 0.69 -0.37 1.22 3.32 -1.38 0.27 116.42 120.99 2ux1 h ASP 63 Ca 0.34 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.38 2ux1 h ASP 63 Cb 0.28 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2ux1 h ASP 63 CO -0.12 0.46 0.12 -0.33 -1.72 0.00 0.00 179.24 177.64 2ux1 h GLU 64 N 0.83 0.57 -0.49 3.56 5.08 -0.87 -0.68 114.58 122.57 2ux1 h GLU 64 Ca 0.31 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.50 2ux1 h GLU 64 Cb 0.12 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2ux1 h GLU 64 CO -0.15 0.58 0.13 1.88 -1.00 0.00 0.00 179.01 180.45 2ux1 h TYR 65 N 0.44 0.82 -0.65 4.33 0.05 -0.90 -2.15 116.97 118.91 2ux1 h TYR 65 Ca 0.12 -0.09 0.03 0.00 0.05 0.00 0.00 58.73 58.84 2ux1 h TYR 65 Cb 0.25 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 37.72 2ux1 h TYR 65 CO 0.01 0.73 0.40 0.52 -1.05 0.00 0.00 178.16 178.76 2ux1 h MET 66 N 0.67 0.75 -0.78 4.88 2.86 -0.29 -0.45 114.93 122.58 2ux1 h MET 66 Ca 0.16 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.71 2ux1 h MET 66 Cb 0.32 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.77 2ux1 h MET 66 CO 0.00 0.50 0.34 0.93 1.06 0.00 0.00 176.91 179.74 2ux1 h GLU 67 N 0.77 1.13 -0.23 1.72 3.07 -0.87 -0.36 114.58 119.82 2ux1 h GLU 67 Ca 0.27 -0.18 -0.02 0.00 -0.50 0.00 0.00 59.36 58.92 2ux1 h GLU 67 Cb 0.04 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 27.75 2ux1 h GLU 67 CO -0.12 0.90 0.05 1.49 -1.40 0.00 0.00 179.01 179.93 2ux1 h GLU 68 N 1.11 0.37 -0.41 2.33 4.81 -0.95 -1.71 114.58 120.13 2ux1 h GLU 68 Ca 0.26 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2ux1 h GLU 68 Cb 0.16 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 2ux1 h GLU 68 CO -0.03 0.50 0.27 0.82 -0.73 0.00 0.00 179.01 179.85 2ux1 h ILE 69 N 0.18 1.11 -0.89 2.32 1.08 -0.93 -1.88 117.51 118.50 2ux1 h ILE 69 Ca 0.07 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 2ux1 h ILE 69 Cb 0.30 0.50 -0.04 0.00 -3.07 0.00 0.00 36.82 34.50 2ux1 h ILE 69 CO 0.00 0.10 0.56 0.44 -0.69 0.00 0.00 178.15 178.57 2ux1 h ASP 70 N 0.56 1.05 -0.05 1.72 5.19 -1.01 0.20 116.42 124.08 2ux1 h ASP 70 Ca 0.15 -0.05 0.02 0.00 -0.62 0.00 0.00 57.03 56.54 2ux1 h ASP 70 Cb -0.06 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.15 2ux1 h ASP 70 CO -0.03 0.78 -0.10 1.23 -3.12 0.00 0.00 179.24 178.00 2ux1 h GLY 71 N 1.22 -0.08 0.99 2.75 0.00 -0.59 -1.36 103.07 106.01 2ux1 h GLY 71 Ca 0.32 0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.77 2ux1 h GLY 71 CO -0.06 -0.11 0.34 -0.97 0.00 0.00 0.00 176.54 175.74 2ux1 h TYR 72 N -0.16 0.75 -0.30 5.60 0.05 -0.93 -1.26 116.97 120.73 2ux1 h TYR 72 Ca 0.06 -0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.90 2ux1 h TYR 72 Cb 0.23 -0.25 -0.08 0.00 1.01 0.00 0.00 36.73 37.64 2ux1 h TYR 72 CO -0.19 0.51 -0.37 1.25 -1.05 0.00 0.00 178.16 178.32 2ux1 h LEU 73 N 0.77 -1.20 -0.48 3.88 5.85 -0.77 0.28 115.31 123.63 2ux1 h LEU 73 Ca 0.20 0.19 -0.08 0.00 0.84 0.00 0.00 57.88 59.03 2ux1 h LEU 73 Cb -0.02 0.53 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2ux1 h LEU 73 CO -0.04 -0.36 -0.02 -0.78 -0.34 0.00 0.00 178.44 176.90 2ux1 h ASP 74 N -0.34 0.85 -0.18 1.25 3.58 -1.07 -0.94 116.42 119.56 2ux1 h ASP 74 Ca 0.13 -0.32 -0.01 0.00 0.42 0.00 0.00 57.03 57.25 2ux1 h ASP 74 Cb 0.57 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 2ux1 h ASP 74 CO -0.49 0.97 0.07 -0.08 -2.88 0.00 0.00 179.24 176.83 2ux1 h GLU 75 N 0.72 0.27 -0.49 0.28 4.81 -0.85 -0.89 114.58 118.43 2ux1 h GLU 75 Ca 0.13 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.22 2ux1 h GLU 75 Cb 0.54 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 2ux1 h GLU 75 CO 0.03 0.36 -0.05 0.52 -0.73 0.00 0.00 179.01 179.13 2ux1 h MET 76 N 0.13 0.90 -0.30 1.92 2.86 -0.42 -0.63 114.93 119.39 2ux1 h MET 76 Ca 0.06 -0.31 -0.01 0.00 -2.06 0.00 0.00 59.70 57.38 2ux1 h MET 76 Cb 0.19 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 2ux1 h MET 76 CO -0.00 0.96 0.15 1.03 1.06 0.00 0.00 176.91 180.10 2ux1 h SER 77 N 0.75 0.40 0.46 1.22 0.87 -1.13 -1.56 113.55 114.55 2ux1 h SER 77 Ca 0.13 -0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.50 2ux1 h SER 77 Cb 0.59 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2ux1 h SER 77 CO 0.04 0.41 -0.34 -0.33 -0.53 0.00 0.00 176.83 176.07 2ux1 h GLU 78 N 0.35 0.00 -0.51 2.24 5.08 -1.09 -0.58 114.58 120.07 2ux1 h GLU 78 Ca 0.10 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 2ux1 h GLU 78 Cb 0.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2ux1 h GLU 78 CO -0.01 0.34 0.02 -0.09 -1.00 0.00 0.00 179.01 178.26 2ux1 h ARG 79 N 0.00 0.89 -0.62 2.33 9.65 -0.90 -0.38 114.38 125.35 2ux1 h ARG 79 Ca -0.00 -0.28 -0.01 0.00 -1.10 0.00 0.00 59.98 58.59 2ux1 h ARG 79 Cb 0.67 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 29.13 2ux1 h ARG 79 CO 0.04 0.91 0.34 1.25 2.80 0.00 0.00 179.97 185.31 2ux1 h LEU 80 N 0.76 0.77 -0.48 3.80 5.85 -0.24 -0.37 115.31 125.40 2ux1 h LEU 80 Ca 0.15 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.78 2ux1 h LEU 80 Cb 0.50 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 2ux1 h LEU 80 CO 0.02 0.64 0.32 0.40 -0.34 0.00 0.00 178.44 179.48 2ux1 h ILE 81 N 0.84 1.12 -0.87 4.05 2.04 -1.01 0.15 117.51 123.83 2ux1 h ILE 81 Ca 0.22 -0.22 0.06 0.00 1.00 0.00 0.00 64.86 65.92 2ux1 h ILE 81 Cb 0.04 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 36.48 2ux1 h ILE 81 CO -0.04 0.12 0.57 0.74 0.00 0.00 0.00 178.15 179.54 2ux1 h THR 82 N 0.65 1.06 -0.01 -0.27 2.02 -0.56 -1.24 112.91 114.56 2ux1 h THR 82 Ca 0.18 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 67.02 2ux1 h THR 82 Cb -0.07 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.33 2ux1 h THR 82 CO -0.04 0.18 0.00 0.18 0.37 0.00 0.00 175.52 176.21 2ux1 n LEU 83 N -4.49 0.16 0.00 2.58 4.77 -0.19 -4.90 117.00 114.93 2ux1 n LEU 83 Ca 0.13 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2ux1 n LEU 83 Cb 0.20 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2ux1 n LEU 83 CO 0.33 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2ux1 n GLY 84 N 0.93 0.81 2.83 -0.72 0.00 -0.47 -5.07 105.19 103.51 2ux1 n GLY 84 Ca 0.19 -0.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.36 -0.51 2.72 -0.02 0.00 0.47 -4.99 105.19 100.50 2ux1 n GLY 85 Ca 0.00 -1.83 -0.29 0.00 0.00 0.00 0.00 46.02 43.89 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 -3.59 1.36 0.48 4.61 0.00 -1.26 -4.42 121.76 118.94 2ux1 s ALA 86 Ca 0.52 -1.46 -0.23 0.00 0.00 0.00 0.00 51.96 50.79 2ux1 s ALA 86 Cb -0.02 -1.53 -0.07 0.00 0.00 0.00 0.00 23.12 21.50 2ux1 s ALA 86 CO 0.36 -1.59 1.22 -1.25 0.00 0.00 0.00 175.76 174.50 2ux1 s PRO 87 N 1.70 3.60 0.39 0.00 0.04 -1.26 -4.95 135.00 134.52 2ux1 s PRO 87 Ca 0.08 1.91 -0.25 0.00 0.04 0.00 0.00 61.00 62.77 2ux1 s PRO 87 Cb -0.17 -2.38 -0.11 0.00 0.04 0.00 0.00 34.50 31.88 2ux1 s PRO 87 CO -0.24 -0.72 1.10 1.19 0.04 0.00 0.00 177.00 178.37 2ux1 n PHE 88 N -0.61 1.51 -2.08 0.56 3.72 -1.26 -4.90 117.46 114.40 2ux1 n PHE 88 Ca 0.08 0.56 -0.03 0.00 -0.05 0.00 0.00 57.45 58.01 2ux1 n PHE 88 Cb 0.47 -2.28 -0.04 0.00 -0.94 0.00 0.00 39.48 36.69 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 0.57 -0.41 -4.05 4.37 3.41 -1.26 -4.94 113.62 111.30 2ux1 n SER 89 Ca 0.08 -1.80 -0.14 0.00 -0.26 0.00 0.00 58.87 56.75 2ux1 n SER 89 Cb 0.38 0.11 -0.12 0.00 -0.26 0.00 0.00 64.21 64.32 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 0.57 0.27 6.66 -4.23 -1.26 -5.06 115.64 112.59 2ux1 s THR 90 Ca 0.06 -0.95 -0.01 0.00 -1.18 0.00 0.00 61.69 59.60 2ux1 s THR 90 Cb 0.07 -0.60 0.27 0.00 1.34 0.00 0.00 72.50 73.57 2ux1 s THR 90 CO -0.03 -0.28 1.86 -0.07 -0.54 0.00 0.00 174.62 175.56 2ux1 h LEU 91 N 4.74 0.96 -0.10 4.79 3.38 -1.99 -1.46 115.31 125.64 2ux1 h LEU 91 Ca -0.35 0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.69 2ux1 h LEU 91 Cb 1.20 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.72 2ux1 h LEU 91 CO 0.42 0.58 -0.30 0.50 0.09 0.00 0.00 178.44 179.72 2ux1 h LYS 92 N 1.07 -0.38 -0.79 1.13 3.64 -1.99 0.18 116.57 119.43 2ux1 h LYS 92 Ca 0.45 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.88 2ux1 h LYS 92 Cb 0.29 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.16 2ux1 h LYS 92 CO -0.21 -0.25 0.52 0.93 -2.27 0.00 0.00 179.45 178.16 2ux1 h GLU 93 N -0.39 1.00 -0.13 1.90 5.08 -1.80 -0.27 114.58 119.97 2ux1 h GLU 93 Ca 0.09 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2ux1 h GLU 93 Cb 0.53 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2ux1 h GLU 93 CO -0.32 0.66 0.04 0.74 -1.00 0.00 0.00 179.01 179.13 2ux1 h PHE 94 N 1.03 0.21 -0.50 4.33 0.04 -0.98 -1.88 116.94 119.19 2ux1 h PHE 94 Ca 0.31 -0.02 -0.13 0.00 2.80 0.00 0.00 57.97 60.93 2ux1 h PHE 94 Cb -0.05 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.02 2ux1 h PHE 94 CO -0.02 0.33 -0.19 1.03 -0.60 0.00 0.00 178.31 178.85 2ux1 h SER 95 N 0.04 1.03 0.00 2.17 0.87 -0.58 -1.37 113.55 115.71 2ux1 h SER 95 Ca 0.04 -0.39 -0.20 0.00 -1.23 0.00 0.00 61.79 60.02 2ux1 h SER 95 Cb 0.21 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 2ux1 h SER 95 CO -0.00 1.18 -0.71 -0.33 -0.53 0.00 0.00 176.83 176.44 2ux1 h GLU 96 N 0.87 0.64 0.00 2.24 5.08 -1.05 -3.27 114.58 119.08 2ux1 h GLU 96 Ca 0.12 -0.50 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 2ux1 h GLU 96 Cb 0.77 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 2ux1 h GLU 96 CO 0.06 1.12 -0.42 -0.91 -1.00 0.00 0.00 179.01 177.86 2ux1 h ASN 97 N 0.45 0.00 -3.92 1.42 2.35 -1.29 -3.47 115.58 111.12 2ux1 h ASN 97 Ca -0.03 0.00 -0.49 0.00 -0.55 0.00 0.00 56.30 55.23 2ux1 h ASN 97 Cb 1.31 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.71 2ux1 h ASN 97 CO 0.14 0.05 0.44 -0.55 -1.65 0.00 0.00 177.43 175.86 2ux1 s SER 98 N -5.92 6.85 0.00 5.81 0.15 -0.52 -4.90 113.70 115.17 2ux1 s SER 98 Ca 0.04 2.13 0.27 0.00 0.70 0.00 0.00 55.95 59.09 2ux1 s SER 98 Cb 0.07 -2.60 0.80 0.00 -1.71 0.00 0.00 66.02 62.58 2ux1 s SER 98 CO 0.72 -0.43 1.59 0.00 1.20 0.00 0.00 173.24 176.32 2ux1 n GLN 99 N 0.25 0.95 -3.08 5.44 1.13 -1.26 -4.86 117.38 115.95 2ux1 n GLN 99 Ca 0.03 -0.56 -0.37 0.00 -1.94 0.00 0.00 57.00 54.17 2ux1 n GLN 99 Cb 0.48 -1.49 -0.06 0.00 0.11 0.00 0.00 30.24 29.28 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 -2.43 4.38 -0.10 1.08 1.43 -1.26 -5.07 118.68 116.70 2ux1 s LEU 100 Ca 0.26 1.45 0.01 0.00 -1.03 0.00 0.00 54.13 54.82 2ux1 s LEU 100 Cb 0.19 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.85 2ux1 s LEU 100 CO 0.49 0.06 -0.12 -0.54 0.23 0.00 0.00 176.35 176.47 2ux1 s LYS 101 N -1.85 3.08 0.02 1.70 1.02 -1.26 -5.07 119.74 117.38 2ux1 s LYS 101 Ca 0.42 -0.66 -0.01 0.00 0.02 0.00 0.00 55.97 55.74 2ux1 s LYS 101 Cb -0.18 -2.58 -0.04 0.00 -0.52 0.00 0.00 37.83 34.52 2ux1 s LYS 101 CO 0.22 0.39 0.15 -1.21 -0.92 0.00 0.00 175.35 173.98 2ux1 s GLU 102 N -0.10 3.29 0.24 1.68 2.02 -1.26 -5.11 118.70 119.47 2ux1 s GLU 102 Ca -0.01 -0.42 0.08 0.00 0.02 0.00 0.00 54.97 54.64 2ux1 s GLU 102 Cb -0.14 -2.99 -0.05 0.00 0.10 0.00 0.00 34.13 31.05 2ux1 s GLU 102 CO 0.03 0.64 -0.12 0.14 0.02 0.00 0.00 175.26 175.98 2ux1 s VAL 103 N -1.34 1.79 0.67 2.63 -7.23 -1.26 -5.13 120.40 110.54 2ux1 s VAL 103 Ca 0.28 -2.21 -0.16 0.00 -1.81 0.00 0.00 61.98 58.08 2ux1 s VAL 103 Cb -0.13 -2.22 0.01 0.00 0.56 0.00 0.00 36.38 34.61 2ux1 s VAL 103 CO 0.20 -0.47 1.21 -0.76 -0.31 0.00 0.00 175.10 174.97 2ux1 s LEU 104 N -3.38 3.46 0.27 1.32 1.43 -1.26 -4.95 118.68 115.57 2ux1 s LEU 104 Ca 0.26 2.38 -0.29 0.00 -1.03 0.00 0.00 54.13 55.45 2ux1 s LEU 104 Cb 0.00 -4.59 -0.10 0.00 0.03 0.00 0.00 46.19 41.53 2ux1 s LEU 104 CO 0.10 -2.00 1.27 -0.83 0.23 0.00 0.00 176.35 175.12 2ux1 s GLY 105 N -1.85 2.81 -0.15 -3.19 0.00 -1.26 -5.03 107.32 98.65 2ux1 s GLY 105 Ca 0.76 1.14 -0.04 0.00 0.00 0.00 0.00 44.72 46.58 2ux1 s GLY 105 CO 0.41 1.89 0.07 -0.35 0.00 0.00 0.00 173.10 175.12 2ux1 s ASP 106 N -0.27 2.27 0.41 1.64 -1.08 -1.26 -5.02 116.67 113.37 2ux1 s ASP 106 Ca 0.51 -0.53 0.29 0.00 -0.52 0.00 0.00 52.55 52.29 2ux1 s ASP 106 Cb -0.37 -0.33 1.38 0.00 -1.46 0.00 0.00 42.92 42.14 2ux1 s ASP 106 CO 0.45 -0.31 1.87 1.88 0.52 0.00 0.00 175.17 179.58 2ux1 h TYR 107 N 8.37 0.00 -0.01 -5.34 0.05 -1.97 -3.06 116.97 115.02 2ux1 h TYR 107 Ca -0.15 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.63 2ux1 h TYR 107 Cb 1.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.88 2ux1 h TYR 107 CO 0.25 0.00 -0.23 0.09 -1.05 0.00 0.00 178.16 177.22 2ux1 n ASN 108 N -2.56 0.88 -4.75 3.88 3.02 -1.26 -4.58 115.26 109.88 2ux1 n ASN 108 Ca -0.00 -0.79 -0.41 0.00 -0.03 0.00 0.00 54.58 53.34 2ux1 n ASN 108 Cb 0.16 0.09 -0.02 0.00 -0.61 0.00 0.00 39.78 39.39 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 -2.51 2.43 0.68 2.41 1.01 -1.16 -5.00 120.40 118.26 2ux1 s VAL 109 Ca 0.25 0.38 -0.11 0.00 0.00 0.00 0.00 61.98 62.50 2ux1 s VAL 109 Cb 0.19 -3.24 -0.00 0.00 0.00 0.00 0.00 36.38 33.33 2ux1 s VAL 109 CO 0.51 0.07 1.06 0.42 0.00 0.00 0.00 175.10 177.16 2ux1 s THR 110 N -0.29 4.13 0.31 3.92 -4.23 -1.26 -4.63 115.64 113.59 2ux1 s THR 110 Ca 0.58 0.69 -0.01 0.00 -1.18 0.00 0.00 61.69 61.77 2ux1 s THR 110 Cb -0.44 -3.55 0.26 0.00 1.34 0.00 0.00 72.50 70.11 2ux1 s THR 110 CO 0.48 -0.90 1.98 -0.29 -0.54 0.00 0.00 174.62 175.35 2ux1 h ILE 111 N -0.60 1.19 -0.36 2.99 2.10 -1.93 0.14 117.51 121.05 2ux1 h ILE 111 Ca -0.44 -0.36 -0.12 0.00 1.08 0.00 0.00 64.86 65.01 2ux1 h ILE 111 Cb 1.21 0.05 -0.01 0.00 -1.09 0.00 0.00 36.82 36.98 2ux1 h ILE 111 CO 0.60 0.19 -0.27 -0.33 -1.08 0.00 0.00 178.15 177.26 2ux1 h GLU 112 N 1.06 0.75 -0.66 2.19 5.08 -1.93 -1.08 114.58 119.99 2ux1 h GLU 112 Ca 0.29 -0.32 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2ux1 h GLU 112 Cb -0.11 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 2ux1 h GLU 112 CO -0.07 0.94 0.22 0.93 -1.00 0.00 0.00 179.01 180.03 2ux1 h GLU 113 N 0.65 1.02 -0.50 2.33 5.08 -1.75 -0.62 114.58 120.78 2ux1 h GLU 113 Ca 0.08 -0.21 0.03 0.00 -1.00 0.00 0.00 59.36 58.26 2ux1 h GLU 113 Cb 0.79 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 2ux1 h GLU 113 CO 0.06 0.88 0.28 1.96 -1.00 0.00 0.00 179.01 181.19 2ux1 h GLN 114 N 0.95 0.54 -0.49 2.33 1.08 -0.37 -0.65 115.11 118.50 2ux1 h GLN 114 Ca 0.21 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.27 2ux1 h GLN 114 Cb 0.28 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 2ux1 h GLN 114 CO -0.01 0.36 -0.15 -0.07 -0.95 0.00 0.00 178.83 178.01 2ux1 h LEU 115 N 0.55 0.98 -1.17 1.46 3.38 -1.02 -1.46 115.31 118.04 2ux1 h LEU 115 Ca 0.21 -0.37 0.07 0.00 0.09 0.00 0.00 57.88 57.87 2ux1 h LEU 115 Cb 0.06 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 2ux1 h LEU 115 CO -0.12 1.13 0.58 0.00 0.09 0.00 0.00 178.44 180.12 2ux1 h ALA 116 N 0.89 1.53 -0.64 1.53 0.00 -0.95 0.71 119.26 122.33 2ux1 h ALA 116 Ca 0.12 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2ux1 h ALA 116 Cb 0.72 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2ux1 h ALA 116 CO 0.05 0.33 0.11 -0.09 0.00 0.00 0.00 179.25 179.65 2ux1 h ARG 117 N 1.00 1.04 -0.60 0.00 9.65 -0.53 -1.26 114.38 123.68 2ux1 h ARG 117 Ca 0.38 -0.27 -0.09 0.00 -1.10 0.00 0.00 59.98 58.91 2ux1 h ARG 117 Cb 0.21 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.64 2ux1 h ARG 117 CO -0.14 0.95 0.03 0.28 2.80 0.00 0.00 179.97 183.89 2ux1 h VAL 118 N 0.98 1.26 -0.58 0.20 2.07 -0.20 -2.15 116.25 117.83 2ux1 h VAL 118 Ca 0.20 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 2ux1 h VAL 118 Cb 0.42 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 2ux1 h VAL 118 CO 0.01 0.40 0.35 0.58 0.02 0.00 0.00 177.57 178.94 2ux1 h VAL 119 N 0.94 1.17 -0.28 2.57 2.07 -0.69 -0.70 116.25 121.34 2ux1 h VAL 119 Ca 0.17 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.37 2ux1 h VAL 119 Cb 0.52 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 2ux1 h VAL 119 CO 0.03 0.17 -0.00 -0.33 0.02 0.00 0.00 177.57 177.46 2ux1 h GLU 120 N 0.78 0.08 -0.41 1.57 5.08 -1.02 0.75 114.58 121.42 2ux1 h GLU 120 Ca 0.21 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2ux1 h GLU 120 Cb -0.02 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2ux1 h GLU 120 CO -0.04 0.05 0.27 0.28 -1.00 0.00 0.00 179.01 178.57 2ux1 h VAL 121 N 0.08 1.11 -0.45 3.13 2.07 -1.00 -2.07 116.25 119.11 2ux1 h VAL 121 Ca 0.13 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 2ux1 h VAL 121 Cb 0.17 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2ux1 h VAL 121 CO -0.22 0.10 0.09 -0.26 0.02 0.00 0.00 177.57 177.30 2ux1 h PHE 122 N 0.55 0.70 -0.44 1.57 -1.00 -0.68 -0.85 116.94 116.79 2ux1 h PHE 122 Ca 0.15 -0.06 -0.09 0.00 2.81 0.00 0.00 57.97 60.78 2ux1 h PHE 122 Cb -0.06 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.27 2ux1 h PHE 122 CO -0.05 0.61 -0.10 0.00 -1.61 0.00 0.00 178.31 177.16 2ux1 h ARG 123 N 0.66 0.79 -0.02 1.51 3.08 -0.53 0.34 114.38 120.21 2ux1 h ARG 123 Ca 0.15 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 2ux1 h ARG 123 Cb 0.27 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 2ux1 h ARG 123 CO -0.00 0.86 0.01 -0.92 -1.07 0.00 0.00 179.97 178.85 2ux1 h TYR 124 N 0.72 0.04 -0.91 3.04 3.20 -0.94 -2.24 116.97 119.88 2ux1 h TYR 124 Ca 0.12 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2ux1 h TYR 124 Cb 0.58 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 2ux1 h TYR 124 CO 0.03 0.25 0.57 -0.07 -1.64 0.00 0.00 178.16 177.30 2ux1 h LEU 125 N -0.19 1.07 -1.14 2.82 3.38 -0.99 0.19 115.31 120.44 2ux1 h LEU 125 Ca 0.01 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2ux1 h LEU 125 Cb 0.23 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2ux1 h LEU 125 CO 0.00 0.81 0.58 0.00 0.09 0.00 0.00 178.44 179.92 2ux1 h ALA 126 N 1.31 1.38 -0.08 1.53 0.00 -0.84 0.15 119.26 122.71 2ux1 h ALA 126 Ca 0.33 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.96 2ux1 h ALA 126 Cb -0.09 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.36 2ux1 h ALA 126 CO -0.07 0.58 -0.84 0.00 0.00 0.00 0.00 179.25 178.92 2ux1 h ALA 127 N 1.46 0.35 -0.54 0.00 0.00 -0.68 -1.49 119.26 118.35 2ux1 h ALA 127 Ca 0.32 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2ux1 h ALA 127 Cb -0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2ux1 h ALA 127 CO -0.07 0.72 0.33 1.25 0.00 0.00 0.00 179.25 181.49 2ux1 h LEU 128 N 0.41 0.64 -1.03 0.00 5.85 -0.20 -2.03 115.31 118.94 2ux1 h LEU 128 Ca -0.07 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.52 2ux1 h LEU 128 Cb 1.47 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 2ux1 h LEU 128 CO 0.16 0.50 -0.25 -0.26 -0.34 0.00 0.00 178.44 178.26 2ux1 h PHE 129 N 0.73 0.44 -0.47 1.25 0.04 -0.54 0.66 116.94 119.06 2ux1 h PHE 129 Ca 0.20 -0.09 -0.04 0.00 2.80 0.00 0.00 57.97 60.84 2ux1 h PHE 129 Cb -0.03 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 37.99 2ux1 h PHE 129 CO -0.03 0.62 0.14 0.37 -0.60 0.00 0.00 178.31 178.81 2ux1 h GLN 130 N 0.35 0.73 -0.37 1.51 5.75 -1.15 0.17 115.11 122.11 2ux1 h GLN 130 Ca 0.05 -0.16 -0.03 0.00 -0.15 0.00 0.00 58.65 58.37 2ux1 h GLN 130 Cb 0.63 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.06 2ux1 h GLN 130 CO 0.05 0.70 0.12 0.87 -2.65 0.00 0.00 178.83 177.92 2ux1 h LYS 131 N 0.62 0.53 -0.27 1.69 1.57 -0.67 0.50 116.57 120.54 2ux1 h LYS 131 Ca 0.15 -0.08 -0.18 0.00 -1.87 0.00 0.00 60.65 58.68 2ux1 h LYS 131 Cb 0.28 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 2ux1 h LYS 131 CO -0.00 0.47 -0.52 0.78 -0.57 0.00 0.00 179.45 179.60 2ux1 h GLY 132 N 0.72 0.87 0.94 3.86 0.00 -0.43 -1.99 103.07 107.04 2ux1 h GLY 132 Ca 0.13 -1.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.46 2ux1 h GLY 132 CO -0.01 0.89 0.12 -2.75 0.00 0.00 0.00 176.54 174.80 2ux1 h PHE 133 N 0.62 0.32 0.30 5.60 3.57 0.03 -2.12 116.94 125.26 2ux1 h PHE 133 Ca 0.02 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2ux1 h PHE 133 Cb 1.11 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.75 2ux1 h PHE 133 CO 0.06 0.29 -0.14 -0.44 -2.23 0.00 0.00 178.31 175.85 2ux1 h ASP 134 N 0.26 -0.34 -0.66 0.41 3.32 -0.87 -1.05 116.42 117.49 2ux1 h ASP 134 Ca 0.08 -0.05 0.07 0.00 0.02 0.00 0.00 57.03 57.14 2ux1 h ASP 134 Cb 0.08 0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.66 2ux1 h ASP 134 CO -0.01 -0.16 0.35 0.58 -1.72 0.00 0.00 179.24 178.28 2ux1 h VAL 135 N -0.50 0.93 0.00 -1.35 2.07 -1.39 -0.28 116.25 115.74 2ux1 h VAL 135 Ca -0.04 -0.22 -0.13 0.00 0.82 0.00 0.00 66.70 67.13 2ux1 h VAL 135 Cb 0.37 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 2ux1 h VAL 135 CO 0.07 0.12 -0.61 0.77 0.02 0.00 0.00 177.57 177.93 2ux1 h SER 136 N 0.64 0.00 0.06 0.57 4.64 -1.35 -1.69 113.55 116.42 2ux1 h SER 136 Ca 0.30 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.62 2ux1 h SER 136 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2ux1 h SER 136 CO -0.20 0.61 -0.03 -0.78 -0.87 0.00 0.00 176.83 175.56 2ux1 h ASP 137 N 0.00 -0.07 -0.94 4.97 3.58 -0.67 0.29 116.42 123.58 2ux1 h ASP 137 Ca -0.01 -0.34 0.08 0.00 0.42 0.00 0.00 57.03 57.18 2ux1 h ASP 137 Cb 1.27 0.02 -0.07 0.00 1.72 0.00 0.00 39.33 42.26 2ux1 h ASP 137 CO 0.08 0.32 0.59 -0.08 -2.88 0.00 0.00 179.24 177.27 2ux1 h GLU 138 N -0.46 1.01 0.00 0.28 4.81 -1.00 -2.13 114.58 117.08 2ux1 h GLU 138 Ca -0.01 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2ux1 h GLU 138 Cb 0.41 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.56 2ux1 h GLU 138 CO 0.01 0.66 -0.13 0.39 -0.73 0.00 0.00 179.01 179.21 2ux1 n GLU 139 N -4.59 0.04 -1.54 1.92 1.02 -0.64 -4.94 120.64 111.91 2ux1 n GLU 139 Ca 0.15 0.02 -0.06 0.00 -0.02 0.00 0.00 57.16 57.25 2ux1 n GLU 139 Cb 0.23 -1.54 -0.02 0.00 -0.02 0.00 0.00 31.44 30.10 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 1.48 0.57 3.45 0.62 0.00 -0.53 -4.96 105.19 105.83 2ux1 n GLY 140 Ca 0.06 -0.72 -0.44 0.00 0.00 0.00 0.00 46.02 44.93 2ux1 n GLY 140 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ux1 n ASP 141 N 0.93 5.17 0.06 1.61 -0.08 0.89 -4.85 116.55 120.29 2ux1 n ASP 141 Ca -0.07 -2.97 -0.02 0.00 -1.51 0.00 0.00 54.79 50.22 2ux1 n ASP 141 Cb 0.34 -1.59 0.24 0.00 2.34 0.00 0.00 41.12 42.45 2ux1 n ASP 141 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2ux1 h SER 142 N 7.13 0.35 -0.17 1.67 4.64 -1.93 -1.40 113.55 123.83 2ux1 h SER 142 Ca 0.34 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.53 2ux1 h SER 142 Cb 0.86 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 2ux1 h SER 142 CO 1.29 0.64 0.07 0.58 -0.87 0.00 0.00 176.83 178.54 2ux1 h VAL 143 N 0.30 1.15 -0.57 0.95 2.07 -1.95 -2.20 116.25 116.00 2ux1 h VAL 143 Ca 0.04 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 2ux1 h VAL 143 Cb 0.68 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 2ux1 h VAL 143 CO 0.05 0.14 0.34 0.74 0.02 0.00 0.00 177.57 178.86 2ux1 h THR 144 N 0.13 1.17 -0.51 2.57 2.02 -1.92 -2.50 112.91 113.87 2ux1 h THR 144 Ca 0.06 -0.37 0.10 0.00 0.77 0.00 0.00 66.41 66.96 2ux1 h THR 144 Cb 0.15 0.39 -0.09 0.00 -1.74 0.00 0.00 68.15 66.87 2ux1 h THR 144 CO -0.01 0.17 -0.01 -1.13 0.37 0.00 0.00 175.52 174.92 2ux1 h ASN 145 N 0.77 -0.24 -0.76 4.18 -0.73 -1.16 -1.53 115.58 116.11 2ux1 h ASN 145 Ca 0.20 0.12 -0.04 0.00 1.87 0.00 0.00 56.30 58.46 2ux1 h ASN 145 Cb -0.02 0.22 -0.03 0.00 0.27 0.00 0.00 38.32 38.76 2ux1 h ASN 145 CO -0.04 -0.08 0.32 -0.78 -0.37 0.00 0.00 177.43 176.48 2ux1 h ASP 146 N 0.11 1.03 -0.32 1.15 3.58 -1.21 -1.41 116.42 119.35 2ux1 h ASP 146 Ca 0.26 -0.16 0.05 0.00 0.42 0.00 0.00 57.03 57.59 2ux1 h ASP 146 Cb 0.39 -0.27 -0.05 0.00 1.72 0.00 0.00 39.33 41.13 2ux1 h ASP 146 CO -0.44 0.91 0.04 0.40 -2.88 0.00 0.00 179.24 177.28 2ux1 h ILE 147 N 1.09 0.82 -0.22 2.25 2.04 -0.86 -0.06 117.51 122.57 2ux1 h ILE 147 Ca 0.26 -0.05 -0.08 0.00 1.00 0.00 0.00 64.86 65.98 2ux1 h ILE 147 Cb 0.19 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 2ux1 h ILE 147 CO -0.02 0.03 -0.23 -0.26 0.00 0.00 0.00 178.15 177.66 2ux1 h PHE 148 N 0.15 0.44 -0.25 1.37 0.04 -1.19 -2.55 116.94 114.94 2ux1 h PHE 148 Ca 0.15 -0.08 -0.10 0.00 2.80 0.00 0.00 57.97 60.73 2ux1 h PHE 148 Cb 0.18 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.21 2ux1 h PHE 148 CO -0.19 0.60 -0.25 -0.97 -0.60 0.00 0.00 178.31 176.90 2ux1 h ASN 149 N 0.36 0.65 -0.44 2.17 -1.24 -0.53 -0.55 115.58 116.00 2ux1 h ASN 149 Ca 0.06 -0.47 0.00 0.00 0.71 0.00 0.00 56.30 56.60 2ux1 h ASN 149 Cb 0.60 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.45 2ux1 h ASN 149 CO 0.04 0.99 0.29 0.58 -1.29 0.00 0.00 177.43 178.04 2ux1 h VAL 150 N 0.32 1.12 -0.20 2.57 2.07 -1.00 -1.93 116.25 119.20 2ux1 h VAL 150 Ca 0.04 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 2ux1 h VAL 150 Cb 0.81 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2ux1 h VAL 150 CO 0.06 0.12 0.00 0.00 0.02 0.00 0.00 177.57 177.77 2ux1 h ALA 151 N 1.15 0.27 -0.83 1.67 0.00 -1.41 -2.85 119.26 117.27 2ux1 h ALA 151 Ca 0.16 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 54.97 2ux1 h ALA 151 Cb -0.05 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.58 2ux1 h ALA 151 CO -0.03 -0.02 0.47 -0.22 0.00 0.00 0.00 179.25 179.45 2ux1 h LYS 152 N 0.12 0.74 -0.32 0.00 3.64 -0.98 -2.08 116.57 117.68 2ux1 h LYS 152 Ca 0.06 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2ux1 h LYS 152 Cb 0.38 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 2ux1 h LYS 152 CO 0.01 0.49 0.16 0.00 -2.27 0.00 0.00 179.45 177.83 2ux1 h ALA 153 N 1.48 0.39 -0.23 5.00 0.00 -1.15 -0.28 119.26 124.47 2ux1 h ALA 153 Ca 0.41 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.25 2ux1 h ALA 153 Cb 0.43 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2ux1 h ALA 153 CO -0.27 -0.22 -0.21 1.03 0.00 0.00 0.00 179.25 179.58 2ux1 h SER 154 N 0.33 0.58 -0.59 0.00 0.87 -1.27 -2.28 113.55 111.19 2ux1 h SER 154 Ca 0.14 -0.47 0.01 0.00 -1.23 0.00 0.00 61.79 60.24 2ux1 h SER 154 Cb 0.05 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 2ux1 h SER 154 CO -0.10 0.93 0.39 0.40 -0.53 0.00 0.00 176.83 177.91 2ux1 h ILE 155 N 0.25 1.13 -0.80 2.23 1.08 -1.23 -1.07 117.51 119.10 2ux1 h ILE 155 Ca 0.04 -0.27 -0.05 0.00 -0.39 0.00 0.00 64.86 64.19 2ux1 h ILE 155 Cb 0.75 0.28 -0.04 0.00 -3.07 0.00 0.00 36.82 34.75 2ux1 h ILE 155 CO 0.05 0.14 0.31 -0.33 -0.69 0.00 0.00 178.15 177.64 2ux1 h GLU 156 N 0.78 1.19 -0.81 2.37 5.08 -0.95 0.08 114.58 122.32 2ux1 h GLU 156 Ca 0.22 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2ux1 h GLU 156 Cb -0.06 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 28.96 2ux1 h GLU 156 CO -0.06 0.96 0.44 -0.22 -1.00 0.00 0.00 179.01 179.13 2ux1 h LYS 157 N 1.16 1.13 -0.70 2.33 3.64 -0.94 -2.07 116.57 121.12 2ux1 h LYS 157 Ca 0.26 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 2ux1 h LYS 157 Cb 0.22 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2ux1 h LYS 157 CO -0.02 0.84 0.29 0.45 -2.27 0.00 0.00 179.45 178.74 2ux1 h HIS 158 N 1.12 1.05 -0.60 1.91 3.86 -0.56 -2.05 115.15 119.90 2ux1 h HIS 158 Ca 0.28 -0.07 0.02 0.00 -1.16 0.00 0.00 60.37 59.44 2ux1 h HIS 158 Cb 0.04 -0.32 -0.04 0.00 1.06 0.00 0.00 27.41 28.16 2ux1 h HIS 158 CO 0.00 0.81 0.37 0.82 0.86 0.00 0.00 177.93 180.79 2ux1 h ILE 159 N 0.99 1.09 -0.30 2.45 2.04 -0.68 -0.09 117.51 123.02 2ux1 h ILE 159 Ca 0.24 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.89 2ux1 h ILE 159 Cb 0.19 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 36.50 2ux1 h ILE 159 CO -0.02 0.14 -0.02 -0.25 0.00 0.00 0.00 178.15 178.00 2ux1 h TRP 160 N 0.74 -0.05 -0.46 1.37 7.01 -1.10 -0.32 115.95 123.15 2ux1 h TRP 160 Ca 0.23 0.02 -0.14 0.00 2.11 0.00 0.00 58.89 61.12 2ux1 h TRP 160 Cb -0.01 0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.11 2ux1 h TRP 160 CO -0.05 -0.07 -0.25 0.52 -2.79 0.00 0.00 178.44 175.80 2ux1 h MET 161 N 0.07 0.98 -0.37 2.65 2.86 -0.87 0.07 114.93 120.32 2ux1 h MET 161 Ca 0.14 -0.44 -0.16 0.00 -2.06 0.00 0.00 59.70 57.18 2ux1 h MET 161 Cb 0.20 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 2ux1 h MET 161 CO -0.26 1.11 -0.41 -0.07 1.06 0.00 0.00 176.91 178.34 2ux1 h LEU 162 N 0.84 1.00 -0.83 1.22 3.38 -0.88 -1.67 115.31 118.36 2ux1 h LEU 162 Ca 0.10 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 2ux1 h LEU 162 Cb 0.84 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 2ux1 h LEU 162 CO 0.07 1.28 0.44 1.56 0.09 0.00 0.00 178.44 181.88 2ux1 h GLN 163 N 0.75 1.18 -0.55 1.13 1.08 -0.89 -1.67 115.11 116.13 2ux1 h GLN 163 Ca 0.05 -0.15 -0.02 0.00 -1.45 0.00 0.00 58.65 57.08 2ux1 h GLN 163 Cb 1.01 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 28.19 2ux1 h GLN 163 CO 0.10 0.88 0.26 0.00 -0.95 0.00 0.00 178.83 179.12 2ux1 h ALA 164 N 1.23 0.71 -0.93 3.87 0.00 -0.75 0.58 119.26 123.98 2ux1 h ALA 164 Ca 0.29 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.17 2ux1 h ALA 164 Cb 0.06 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.57 2ux1 h ALA 164 CO -0.04 0.27 0.60 1.49 0.00 0.00 0.00 179.25 181.57 2ux1 h GLU 165 N 0.74 0.93 -0.02 0.00 4.57 -1.07 -0.66 114.58 119.07 2ux1 h GLU 165 Ca 0.19 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 2ux1 h GLU 165 Cb 0.12 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 2ux1 h GLU 165 CO -0.02 0.61 0.00 1.28 -1.18 0.00 0.00 179.01 179.70 2ux1 n LEU 166 N -4.54 0.23 -0.48 1.64 4.77 -0.51 -4.89 117.00 113.22 2ux1 n LEU 166 Ca 0.16 -0.09 -0.04 0.00 -0.03 0.00 0.00 56.01 56.00 2ux1 n LEU 166 Cb 0.29 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2ux1 n LEU 166 CO 0.31 0.05 -0.05 0.61 -1.33 0.00 0.00 177.39 176.97 2ux1 n GLY 167 N 0.89 0.27 3.27 -0.72 0.00 -0.25 -5.02 105.19 103.62 2ux1 n GLY 167 Ca 0.17 -0.73 -0.17 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.93 1.11 0.71 1.61 -0.21 0.08 -5.00 119.66 114.03 2ux1 s GLN 168 Ca 0.00 -1.41 -0.13 0.00 0.02 0.00 0.00 55.36 53.85 2ux1 s GLN 168 Cb 0.00 -0.85 0.02 0.00 1.00 0.00 0.00 33.01 33.19 2ux1 s GLN 168 CO 0.00 0.14 1.10 0.00 -2.12 0.00 0.00 175.29 174.40 2ux1 s ALA 169 N -2.80 2.40 0.41 6.09 0.00 -1.26 -3.15 121.76 123.45 2ux1 s ALA 169 Ca 0.15 0.38 0.08 0.00 0.00 0.00 0.00 51.96 52.57 2ux1 s ALA 169 Cb -0.01 -3.28 0.85 0.00 0.00 0.00 0.00 23.12 20.68 2ux1 s ALA 169 CO 0.03 -1.47 2.01 -1.35 0.00 0.00 0.00 175.76 174.98 2ux1 h PRO 170 N -0.52 0.41 -6.28 0.00 0.11 -1.88 -3.46 132.00 120.38 2ux1 h PRO 170 Ca -0.45 -0.05 -0.46 0.00 0.11 0.00 0.00 66.00 65.15 2ux1 h PRO 170 Cb 1.24 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2ux1 h PRO 170 CO 0.53 0.35 -0.86 1.63 -0.21 0.00 0.00 178.00 179.44 2ux1 n LYS 171 N -4.41 -4.12 0.00 1.05 5.02 -1.26 -4.84 118.16 109.60 2ux1 n LYS 171 Ca 0.01 0.52 0.10 0.00 -2.02 0.00 0.00 58.31 56.91 2ux1 n LYS 171 Cb 0.13 -4.86 0.57 0.00 -0.02 0.00 0.00 35.03 30.85 2ux1 n LYS 171 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16