#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ux1 n LEU 22 N 0.00 0.64 -0.23 2.46 4.77 -1.26 -4.82 117.00 118.56 2ux1 n LEU 22 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 2ux1 n LEU 22 Cb 0.00 -1.13 0.15 0.00 -2.33 0.00 0.00 43.42 40.11 2ux1 n LEU 22 CO 0.00 -0.32 0.92 0.00 -1.33 0.00 0.00 177.39 176.66 2ux1 h ALA 23 N 0.00 0.84 0.00 -1.18 0.00 -1.99 0.28 119.26 117.21 2ux1 h ALA 23 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2ux1 h ALA 23 Cb 0.00 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2ux1 h ALA 23 CO 0.00 -0.33 -1.25 -0.25 0.00 0.00 0.00 179.25 177.42 2ux1 n ASP 24 N -5.16 0.58 -0.16 0.00 9.92 -1.26 -2.73 116.55 117.74 2ux1 n ASP 24 Ca 0.12 0.13 -0.09 0.00 -0.53 0.00 0.00 54.79 54.41 2ux1 n ASP 24 Cb 0.41 0.90 -0.00 0.00 -0.64 0.00 0.00 41.12 41.79 2ux1 n ASP 24 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2ux1 h SER 25 N 0.00 0.74 -0.90 -2.24 0.02 -1.65 -0.84 113.55 108.67 2ux1 h SER 25 Ca 0.00 -0.27 0.01 0.00 -0.84 0.00 0.00 61.79 60.70 2ux1 h SER 25 Cb 0.93 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 63.23 2ux1 h SER 25 CO 0.00 0.82 0.60 0.11 -1.14 0.00 0.00 176.83 177.22 2ux1 h LYS 26 N 0.64 1.17 -0.22 3.45 1.57 -0.59 -1.04 116.57 121.55 2ux1 h LYS 26 Ca 0.14 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 2ux1 h LYS 26 Cb 0.40 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2ux1 h LYS 26 CO 0.01 0.78 0.02 0.00 -0.57 0.00 0.00 179.45 179.68 2ux1 h ALA 27 N 1.34 0.30 -0.28 3.86 0.00 -1.30 -2.21 119.26 120.96 2ux1 h ALA 27 Ca 0.34 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 2ux1 h ALA 27 Cb -0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2ux1 h ALA 27 CO -0.08 -0.00 -0.38 0.28 0.00 0.00 0.00 179.25 179.06 2ux1 h VAL 28 N 0.16 1.29 -0.72 0.00 2.07 -1.12 -1.03 116.25 116.90 2ux1 h VAL 28 Ca 0.07 -1.55 0.06 0.00 0.82 0.00 0.00 66.70 66.10 2ux1 h VAL 28 Cb 0.36 1.49 -0.06 0.00 -1.52 0.00 0.00 31.29 31.56 2ux1 h VAL 28 CO 0.01 0.50 0.41 -0.07 0.02 0.00 0.00 177.57 178.44 2ux1 h LEU 29 N 0.54 0.62 -0.60 2.57 3.38 -1.10 -0.95 115.31 119.78 2ux1 h LEU 29 Ca 0.05 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 2ux1 h LEU 29 Cb 0.90 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2ux1 h LEU 29 CO 0.08 0.40 -0.52 -1.13 0.09 0.00 0.00 178.44 177.36 2ux1 h ASN 30 N 0.76 0.54 -0.49 -0.43 -1.24 -1.13 -1.92 115.58 111.67 2ux1 h ASN 30 Ca 0.32 -0.27 0.03 0.00 0.71 0.00 0.00 56.30 57.09 2ux1 h ASN 30 Cb 0.20 -0.15 -0.04 0.00 0.73 0.00 0.00 38.32 39.06 2ux1 h ASN 30 CO -0.19 0.96 0.27 -0.61 -1.29 0.00 0.00 177.43 176.57 2ux1 h GLN 31 N 0.38 0.52 -0.89 6.67 5.75 -0.77 -2.37 115.11 124.40 2ux1 h GLN 31 Ca 0.01 -0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.50 2ux1 h GLN 31 Cb 1.04 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 29.42 2ux1 h GLN 31 CO 0.09 0.34 0.58 0.00 -2.65 0.00 0.00 178.83 177.20 2ux1 h ALA 32 N 1.24 1.14 -0.48 3.38 0.00 -0.95 -0.70 119.26 122.90 2ux1 h ALA 32 Ca 0.21 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.12 2ux1 h ALA 32 Cb 0.07 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 2ux1 h ALA 32 CO -0.12 0.49 0.20 0.28 0.00 0.00 0.00 179.25 180.10 2ux1 h VAL 33 N 1.17 0.89 0.04 0.00 2.07 -0.86 0.44 116.25 120.00 2ux1 h VAL 33 Ca 0.34 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.72 2ux1 h VAL 33 Cb -0.09 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 2ux1 h VAL 33 CO -0.09 0.07 -0.02 0.00 0.02 0.00 0.00 177.57 177.55 2ux1 h ALA 34 N 1.30 -0.06 -0.60 1.67 0.00 -0.99 -2.27 119.26 118.30 2ux1 h ALA 34 Ca 0.22 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2ux1 h ALA 34 Cb 0.20 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2ux1 h ALA 34 CO -0.20 -0.41 0.05 -0.44 0.00 0.00 0.00 179.25 178.25 2ux1 h ASP 35 N -0.31 0.98 -0.37 0.00 3.32 -0.83 -1.95 116.42 117.27 2ux1 h ASP 35 Ca -0.01 -0.25 -0.08 0.00 0.02 0.00 0.00 57.03 56.71 2ux1 h ASP 35 Cb 0.28 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2ux1 h ASP 35 CO 0.01 1.01 -0.04 -0.07 -1.72 0.00 0.00 179.24 178.42 2ux1 h LEU 36 N 0.94 0.75 -0.94 1.55 3.38 -0.15 0.24 115.31 121.09 2ux1 h LEU 36 Ca 0.18 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2ux1 h LEU 36 Cb 0.48 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 2ux1 h LEU 36 CO 0.02 0.85 0.56 0.28 0.09 0.00 0.00 178.44 180.24 2ux1 h SER 37 N 0.72 1.13 0.11 -0.43 0.02 -1.16 0.30 113.55 114.24 2ux1 h SER 37 Ca 0.13 -0.07 -0.26 0.00 -0.84 0.00 0.00 61.79 60.75 2ux1 h SER 37 Cb 0.50 -0.29 0.02 0.00 0.14 0.00 0.00 62.40 62.78 2ux1 h SER 37 CO 0.03 0.87 -1.05 0.58 -1.14 0.00 0.00 176.83 176.12 2ux1 h VAL 38 N 1.29 1.31 -0.53 2.27 2.07 -1.00 -2.43 116.25 119.24 2ux1 h VAL 38 Ca 0.34 -2.33 -0.00 0.00 0.82 0.00 0.00 66.70 65.52 2ux1 h VAL 38 Cb -0.05 2.44 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 2ux1 h VAL 38 CO -0.06 0.71 0.33 0.00 0.02 0.00 0.00 177.57 178.57 2ux1 h ALA 39 N 0.47 0.67 -0.34 1.67 0.00 -0.28 -0.05 119.26 121.40 2ux1 h ALA 39 Ca -0.13 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.79 2ux1 h ALA 39 Cb 1.70 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 19.22 2ux1 h ALA 39 CO 0.20 0.15 -0.07 1.25 0.00 0.00 0.00 179.25 180.78 2ux1 h HIS 40 N 0.71 -0.16 -0.50 0.00 6.17 -0.40 -0.84 115.15 120.12 2ux1 h HIS 40 Ca 0.19 0.03 0.06 0.00 0.71 0.00 0.00 60.37 61.36 2ux1 h HIS 40 Cb -0.03 0.12 -0.06 0.00 2.52 0.00 0.00 27.41 29.97 2ux1 h HIS 40 CO -0.03 -0.14 0.19 1.03 0.71 0.00 0.00 177.93 179.70 2ux1 h SER 41 N 0.01 0.21 -0.20 3.26 0.87 -0.74 -1.02 113.55 115.95 2ux1 h SER 41 Ca 0.16 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2ux1 h SER 41 Cb 0.25 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 2ux1 h SER 41 CO -0.34 0.15 0.13 0.40 -0.53 0.00 0.00 176.83 176.64 2ux1 h ILE 42 N 0.38 1.06 -0.94 2.23 2.04 -0.63 -0.77 117.51 120.88 2ux1 h ILE 42 Ca 0.24 -0.12 0.07 0.00 1.00 0.00 0.00 64.86 66.04 2ux1 h ILE 42 Cb 0.24 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 2ux1 h ILE 42 CO -0.23 0.06 0.61 -0.07 0.00 0.00 0.00 178.15 178.52 2ux1 h LEU 43 N 0.27 0.95 -0.54 1.44 3.38 -0.87 -1.15 115.31 118.80 2ux1 h LEU 43 Ca 0.07 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 2ux1 h LEU 43 Cb -0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2ux1 h LEU 43 CO -0.02 0.60 -0.44 -0.74 0.09 0.00 0.00 178.44 177.94 2ux1 h HIS 44 N 1.07 0.84 -0.58 1.13 2.76 -0.94 -1.70 115.15 117.72 2ux1 h HIS 44 Ca 0.40 -0.26 0.03 0.00 -2.20 0.00 0.00 60.37 58.34 2ux1 h HIS 44 Cb 0.19 -0.17 -0.04 0.00 1.55 0.00 0.00 27.41 28.94 2ux1 h HIS 44 CO -0.00 1.01 0.35 0.37 -1.30 0.00 0.00 177.93 178.36 2ux1 h GLN 45 N 0.56 0.67 -0.58 5.26 4.15 -0.46 -2.34 115.11 122.37 2ux1 h GLN 45 Ca 0.04 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 2ux1 h GLN 45 Cb 0.98 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.49 2ux1 h GLN 45 CO 0.09 0.45 0.31 0.28 -1.93 0.00 0.00 178.83 178.03 2ux1 h VAL 46 N 0.69 1.19 -0.53 2.39 2.07 -1.00 -0.11 116.25 120.95 2ux1 h VAL 46 Ca 0.24 -0.50 0.08 0.00 0.82 0.00 0.00 66.70 67.34 2ux1 h VAL 46 Cb 0.03 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 30.19 2ux1 h VAL 46 CO -0.10 0.21 0.15 -0.74 0.02 0.00 0.00 177.57 177.11 2ux1 h HIS 47 N 0.79 0.26 -0.01 1.57 -0.00 -1.12 -1.89 115.15 114.76 2ux1 h HIS 47 Ca 0.20 0.03 -0.11 0.00 -0.00 0.00 0.00 60.37 60.49 2ux1 h HIS 47 Cb 0.06 -0.04 0.01 0.00 -0.00 0.00 0.00 27.41 27.44 2ux1 h HIS 47 CO -0.01 0.05 -0.42 -1.49 -0.00 0.00 0.00 177.93 176.05 2ux1 h TRP 48 N 0.31 0.45 -0.01 5.26 6.55 -1.05 -3.37 115.95 124.08 2ux1 h TRP 48 Ca 0.27 -0.23 0.00 0.00 0.95 0.00 0.00 58.89 59.87 2ux1 h TRP 48 Cb 0.34 -0.05 0.00 0.00 -0.86 0.00 0.00 29.16 28.58 2ux1 h TRP 48 CO -0.20 1.04 -0.19 0.66 -1.05 0.00 0.00 178.44 178.70 2ux1 n TYR 49 N -4.36 0.00 -1.96 0.49 4.01 -0.09 -4.93 117.16 110.32 2ux1 n TYR 49 Ca -0.10 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.22 2ux1 n TYR 49 Cb 0.58 -0.06 -0.03 0.00 -0.31 0.00 0.00 39.34 39.52 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 -2.31 4.23 0.01 -0.72 -2.45 -0.71 -4.29 119.30 113.06 2ux1 s MET 50 Ca 0.28 2.34 0.01 0.00 -1.25 0.00 0.00 55.69 57.06 2ux1 s MET 50 Cb 0.20 -3.15 -0.01 0.00 1.25 0.00 0.00 34.83 33.12 2ux1 s MET 50 CO 0.45 -0.56 -0.03 1.03 1.05 0.00 0.00 175.02 176.96 2ux1 s ARG 51 N 0.85 0.27 0.00 4.11 0.52 -1.26 -5.02 118.95 118.41 2ux1 s ARG 51 Ca 0.68 -0.29 0.00 0.00 -0.52 0.00 0.00 55.73 55.60 2ux1 s ARG 51 Cb -0.43 -0.15 0.00 0.00 0.52 0.00 0.00 34.95 34.89 2ux1 s ARG 51 CO 0.33 0.03 0.00 0.41 0.02 0.00 0.00 175.30 176.10 2ux1 n GLY 52 N 2.51 2.53 3.73 -3.53 0.00 -1.26 -3.82 105.19 105.35 2ux1 n GLY 52 Ca -0.16 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 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 -1.83 4.12 0.00 1.61 1.81 -1.26 -1.79 118.95 121.61 2ux1 s ARG 53 Ca 0.00 2.60 0.00 0.00 -1.72 0.00 0.00 55.73 56.61 2ux1 s ARG 53 Cb 0.00 -3.06 0.00 0.00 -0.45 0.00 0.00 34.95 31.44 2ux1 s ARG 53 CO 0.00 -0.73 0.00 0.41 -0.68 0.00 0.00 175.30 174.30 2ux1 n GLY 54 N 3.56 0.47 0.20 -3.53 0.00 -1.26 -4.89 105.19 99.74 2ux1 n GLY 54 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.08 0.00 1.61 3.57 -1.73 -0.14 116.94 120.18 2ux1 h PHE 55 Ca 0.00 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 2ux1 h PHE 55 Cb 0.00 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 2ux1 h PHE 55 CO 0.00 -0.14 -0.10 1.98 -2.23 0.00 0.00 178.31 177.82 2ux1 h MET 56 N 0.09 0.00 0.09 1.11 4.05 -1.94 0.17 114.93 118.49 2ux1 h MET 56 Ca 0.26 0.00 -0.36 0.00 -0.28 0.00 0.00 59.70 59.31 2ux1 h MET 56 Cb 0.39 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.16 2ux1 h MET 56 CO -0.45 0.10 -2.07 1.51 0.23 0.00 0.00 176.91 176.23 2ux1 n ILE 57 N -3.42 1.71 0.15 1.77 0.13 -0.90 -4.47 119.36 114.32 2ux1 n ILE 57 Ca -0.01 -0.66 0.04 0.00 -1.10 0.00 0.00 62.75 61.02 2ux1 n ILE 57 Cb 0.26 -1.59 0.04 0.00 -0.84 0.00 0.00 39.64 37.52 2ux1 n ILE 57 CO 0.00 0.00 0.00 -0.50 2.80 0.00 0.00 176.55 178.85 2ux1 h TRP 58 N 0.05 0.00 0.51 9.51 4.06 -0.63 -3.01 115.95 126.45 2ux1 h TRP 58 Ca -0.44 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.48 2ux1 h TRP 58 Cb 2.01 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 30.18 2ux1 h TRP 58 CO 0.06 0.42 -0.25 1.25 -3.56 0.00 0.00 178.44 176.37 2ux1 h HIS 59 N 0.00 -0.64 0.00 0.49 2.76 -0.90 -2.12 115.15 114.74 2ux1 h HIS 59 Ca -0.01 -0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.09 2ux1 h HIS 59 Cb 1.33 0.21 -0.01 0.00 1.55 0.00 0.00 27.41 30.49 2ux1 h HIS 59 CO 0.00 -0.32 -0.26 -1.00 -1.30 0.00 0.00 177.93 175.05 2ux1 h PRO 60 N -0.92 0.00 -0.71 5.26 0.13 -1.79 -2.70 132.00 131.28 2ux1 h PRO 60 Ca -0.07 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.14 2ux1 h PRO 60 Cb 0.61 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.69 2ux1 h PRO 60 CO 0.12 0.26 0.46 -0.22 -0.23 0.00 0.00 178.00 178.39 2ux1 h LYS 61 N 0.00 0.65 -0.47 0.86 1.63 -1.36 -0.85 116.57 117.03 2ux1 h LYS 61 Ca -0.00 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.72 2ux1 h LYS 61 Cb 0.49 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.95 2ux1 h LYS 61 CO 0.03 0.43 0.13 0.52 -3.45 0.00 0.00 179.45 177.12 2ux1 h MET 62 N 0.67 0.69 -0.80 1.90 2.86 -1.04 -1.59 114.93 117.63 2ux1 h MET 62 Ca 0.31 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 2ux1 h MET 62 Cb 0.35 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 2ux1 h MET 62 CO -0.11 0.62 0.48 -0.44 1.06 0.00 0.00 176.91 178.52 2ux1 h ASP 63 N 0.68 0.96 -0.18 1.22 3.32 -1.21 0.16 116.42 121.38 2ux1 h ASP 63 Ca 0.16 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.15 2ux1 h ASP 63 Cb 0.22 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2ux1 h ASP 63 CO -0.01 0.75 0.07 -0.33 -1.72 0.00 0.00 179.24 178.00 2ux1 h GLU 64 N 1.10 0.15 -0.72 3.56 5.08 -1.01 -0.86 114.58 121.88 2ux1 h GLU 64 Ca 0.29 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 2ux1 h GLU 64 Cb -0.04 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 2ux1 h GLU 64 CO -0.05 0.10 0.35 1.88 -1.00 0.00 0.00 179.01 180.29 2ux1 h TYR 65 N 0.16 1.04 -0.62 4.33 0.05 -1.02 -2.16 116.97 118.74 2ux1 h TYR 65 Ca 0.07 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 2ux1 h TYR 65 Cb 0.04 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.43 2ux1 h TYR 65 CO -0.11 0.76 0.31 0.52 -1.05 0.00 0.00 178.16 178.60 2ux1 h MET 66 N 1.01 0.89 -0.85 4.88 2.86 -0.70 0.79 114.93 123.81 2ux1 h MET 66 Ca 0.25 -0.13 0.03 0.00 -2.06 0.00 0.00 59.70 57.79 2ux1 h MET 66 Cb 0.12 -0.16 -0.05 0.00 0.06 0.00 0.00 31.60 31.56 2ux1 h MET 66 CO -0.03 0.71 0.55 0.93 1.06 0.00 0.00 176.91 180.13 2ux1 h GLU 67 N 0.86 1.04 -0.03 1.72 3.07 -0.98 0.12 114.58 120.37 2ux1 h GLU 67 Ca 0.22 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 59.01 2ux1 h GLU 67 Cb 0.11 -0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 27.78 2ux1 h GLU 67 CO -0.03 0.68 -0.01 1.49 -1.40 0.00 0.00 179.01 179.75 2ux1 h GLU 68 N 1.07 0.06 -0.47 2.33 4.81 -0.85 -1.27 114.58 120.26 2ux1 h GLU 68 Ca 0.34 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.62 2ux1 h GLU 68 Cb -0.01 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.31 2ux1 h GLU 68 CO -0.11 0.40 0.11 0.82 -0.73 0.00 0.00 179.01 179.50 2ux1 h ILE 69 N -0.28 0.76 -1.01 2.32 1.08 -0.76 -2.02 117.51 117.60 2ux1 h ILE 69 Ca 0.01 -0.09 0.04 0.00 -0.39 0.00 0.00 64.86 64.43 2ux1 h ILE 69 Cb 0.38 0.49 -0.06 0.00 -3.07 0.00 0.00 36.82 34.56 2ux1 h ILE 69 CO 0.00 0.05 0.66 0.44 -0.69 0.00 0.00 178.15 178.61 2ux1 h ASP 70 N 0.25 1.11 -0.26 1.72 5.19 -0.83 -0.73 116.42 122.86 2ux1 h ASP 70 Ca 0.23 -0.01 0.05 0.00 -0.62 0.00 0.00 57.03 56.68 2ux1 h ASP 70 Cb 0.29 -0.26 -0.04 0.00 0.18 0.00 0.00 39.33 39.50 2ux1 h ASP 70 CO -0.29 0.76 -0.01 1.23 -3.12 0.00 0.00 179.24 177.81 2ux1 h GLY 71 N 1.29 0.24 1.00 2.75 0.00 -0.54 -1.87 103.07 105.94 2ux1 h GLY 71 Ca 0.40 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.77 2ux1 h GLY 71 CO -0.12 -0.06 0.36 -0.97 0.00 0.00 0.00 176.54 175.74 2ux1 h TYR 72 N 0.06 0.72 -0.36 5.60 0.05 -0.78 -1.87 116.97 120.41 2ux1 h TYR 72 Ca 0.13 0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.96 2ux1 h TYR 72 Cb 0.17 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 37.63 2ux1 h TYR 72 CO -0.22 0.48 0.11 1.25 -1.05 0.00 0.00 178.16 178.73 2ux1 h LEU 73 N 0.76 0.11 -0.42 3.88 5.85 -0.87 0.16 115.31 124.78 2ux1 h LEU 73 Ca 0.20 0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.81 2ux1 h LEU 73 Cb -0.06 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2ux1 h LEU 73 CO -0.04 0.10 -0.39 -0.78 -0.34 0.00 0.00 178.44 176.99 2ux1 h ASP 74 N 0.26 0.97 -0.20 1.25 3.58 -1.21 -0.61 116.42 120.45 2ux1 h ASP 74 Ca 0.16 -0.44 -0.05 0.00 0.42 0.00 0.00 57.03 57.12 2ux1 h ASP 74 Cb 0.15 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 2ux1 h ASP 74 CO -0.18 1.23 -0.08 -0.08 -2.88 0.00 0.00 179.24 177.25 2ux1 h GLU 75 N 0.74 0.41 -0.36 0.28 4.81 -0.97 -0.70 114.58 118.80 2ux1 h GLU 75 Ca 0.06 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.08 2ux1 h GLU 75 Cb 0.97 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 2ux1 h GLU 75 CO 0.09 0.69 0.09 0.52 -0.73 0.00 0.00 179.01 179.68 2ux1 h MET 76 N 0.11 0.57 -0.10 1.92 2.86 -0.71 -0.78 114.93 118.81 2ux1 h MET 76 Ca 0.05 -0.13 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2ux1 h MET 76 Cb 0.56 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 2ux1 h MET 76 CO 0.03 0.61 -0.00 1.03 1.06 0.00 0.00 176.91 179.63 2ux1 h SER 77 N 0.43 -0.05 -0.13 1.22 0.87 -1.09 -1.76 113.55 113.04 2ux1 h SER 77 Ca 0.11 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 2ux1 h SER 77 Cb 0.29 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 2ux1 h SER 77 CO 0.00 -0.01 -0.04 -0.33 -0.53 0.00 0.00 176.83 175.93 2ux1 h GLU 78 N 0.03 0.39 -0.67 2.24 5.08 -1.06 0.09 114.58 120.68 2ux1 h GLU 78 Ca 0.05 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2ux1 h GLU 78 Cb 0.06 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2ux1 h GLU 78 CO -0.08 0.45 0.36 -0.09 -1.00 0.00 0.00 179.01 178.64 2ux1 h ARG 79 N 0.38 0.93 -0.52 2.33 9.65 -0.92 -0.14 114.38 126.09 2ux1 h ARG 79 Ca 0.08 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 2ux1 h ARG 79 Cb 0.31 -0.18 -0.03 0.00 -1.39 0.00 0.00 29.97 28.68 2ux1 h ARG 79 CO 0.01 0.71 0.34 1.25 2.80 0.00 0.00 179.97 185.09 2ux1 h LEU 80 N 0.91 0.59 -0.41 3.80 5.85 -0.39 -0.36 115.31 125.30 2ux1 h LEU 80 Ca 0.23 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.97 2ux1 h LEU 80 Cb 0.06 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 2ux1 h LEU 80 CO -0.04 0.43 0.21 0.40 -0.34 0.00 0.00 178.44 179.11 2ux1 h ILE 81 N 0.70 0.99 -0.77 4.05 2.04 -0.86 0.15 117.51 123.81 2ux1 h ILE 81 Ca 0.19 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 65.96 2ux1 h ILE 81 Cb -0.08 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 36.48 2ux1 h ILE 81 CO -0.04 0.08 0.50 0.74 0.00 0.00 0.00 178.15 179.43 2ux1 h THR 82 N 0.43 1.06 0.00 -0.27 2.02 -0.59 -0.79 112.91 114.76 2ux1 h THR 82 Ca 0.17 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2ux1 h THR 82 Cb 0.07 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 2ux1 h THR 82 CO -0.11 0.16 0.00 0.18 0.37 0.00 0.00 175.52 176.11 2ux1 n LEU 83 N -4.47 0.00 0.00 2.58 4.77 -0.18 -4.87 117.00 114.82 2ux1 n LEU 83 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2ux1 n LEU 83 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2ux1 n LEU 83 CO 0.34 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2ux1 n GLY 84 N 0.71 0.63 4.00 -0.72 0.00 -0.30 -5.06 105.19 104.44 2ux1 n GLY 84 Ca 0.12 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 2ux1 n GLY 84 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ux1 s GLY 85 N -2.42 1.76 -0.33 -0.02 0.00 0.48 -5.00 107.32 101.79 2ux1 s GLY 85 Ca 0.00 -1.78 0.01 0.00 0.00 0.00 0.00 44.72 42.94 2ux1 s GLY 85 CO 0.00 -1.22 0.10 0.00 0.00 0.00 0.00 173.10 171.98 2ux1 s ALA 86 N -3.10 1.94 0.43 3.20 0.00 -1.26 -4.31 121.76 118.65 2ux1 s ALA 86 Ca 0.66 -1.99 -0.24 0.00 0.00 0.00 0.00 51.96 50.39 2ux1 s ALA 86 Cb -0.05 -1.74 -0.08 0.00 0.00 0.00 0.00 23.12 21.25 2ux1 s ALA 86 CO 0.44 -1.71 1.19 -1.25 0.00 0.00 0.00 175.76 174.43 2ux1 s PRO 87 N 1.31 3.89 0.24 0.00 0.04 -1.26 -4.95 135.00 134.27 2ux1 s PRO 87 Ca 0.11 1.88 -0.30 0.00 0.04 0.00 0.00 61.00 62.73 2ux1 s PRO 87 Cb -0.18 -2.57 -0.15 0.00 0.04 0.00 0.00 34.50 31.64 2ux1 s PRO 87 CO -0.18 -0.47 0.99 1.19 0.04 0.00 0.00 177.00 178.57 2ux1 n PHE 88 N -0.17 1.05 -2.09 0.56 3.72 -1.26 -4.91 117.46 114.36 2ux1 n PHE 88 Ca 0.06 0.73 -0.03 0.00 -0.05 0.00 0.00 57.45 58.16 2ux1 n PHE 88 Cb 0.47 -2.22 -0.03 0.00 -0.94 0.00 0.00 39.48 36.76 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 1.56 -0.29 -4.10 4.37 3.41 -1.26 -4.95 113.62 112.37 2ux1 n SER 89 Ca 0.12 -1.74 -0.12 0.00 -0.26 0.00 0.00 58.87 56.87 2ux1 n SER 89 Cb 0.29 0.07 -0.11 0.00 -0.26 0.00 0.00 64.21 64.19 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 0.58 0.35 6.66 -4.23 -1.26 -5.05 115.64 112.69 2ux1 s THR 90 Ca 0.06 -1.38 0.04 0.00 -1.18 0.00 0.00 61.69 59.22 2ux1 s THR 90 Cb 0.07 -0.99 0.20 0.00 1.34 0.00 0.00 72.50 73.12 2ux1 s THR 90 CO -0.03 -0.56 1.93 -0.07 -0.54 0.00 0.00 174.62 175.35 2ux1 h LEU 91 N 3.95 0.58 -0.41 4.79 3.38 -1.99 -0.84 115.31 124.77 2ux1 h LEU 91 Ca -0.36 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 2ux1 h LEU 91 Cb 1.19 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 2ux1 h LEU 91 CO 0.49 0.54 0.23 0.50 0.09 0.00 0.00 178.44 180.29 2ux1 h LYS 92 N 0.63 0.57 -0.41 1.13 3.64 -1.98 0.45 116.57 120.59 2ux1 h LYS 92 Ca 0.15 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 2ux1 h LYS 92 Cb 0.15 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 2ux1 h LYS 92 CO -0.01 0.45 0.11 0.93 -2.27 0.00 0.00 179.45 178.66 2ux1 h GLU 93 N 0.53 0.64 -0.36 1.90 5.08 -1.81 -1.12 114.58 119.44 2ux1 h GLU 93 Ca 0.14 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2ux1 h GLU 93 Cb 0.05 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 2ux1 h GLU 93 CO -0.02 0.66 0.20 0.74 -1.00 0.00 0.00 179.01 179.58 2ux1 h PHE 94 N 0.52 0.38 -0.40 4.33 0.04 -0.96 -2.08 116.94 118.76 2ux1 h PHE 94 Ca 0.13 0.01 -0.14 0.00 2.80 0.00 0.00 57.97 60.77 2ux1 h PHE 94 Cb 0.29 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 2ux1 h PHE 94 CO 0.02 0.22 -0.29 1.03 -0.60 0.00 0.00 178.31 178.68 2ux1 h SER 95 N 0.41 0.92 1.50 2.17 0.87 -0.74 -1.46 113.55 117.21 2ux1 h SER 95 Ca 0.14 -0.37 -0.10 0.00 -1.23 0.00 0.00 61.79 60.23 2ux1 h SER 95 Cb 0.02 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.71 2ux1 h SER 95 CO -0.08 1.14 -0.50 -0.33 -0.53 0.00 0.00 176.83 176.53 2ux1 h GLU 96 N 0.74 0.00 0.00 2.24 5.08 -1.15 -3.33 114.58 118.16 2ux1 h GLU 96 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2ux1 h GLU 96 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2ux1 h GLU 96 CO 0.08 0.45 -1.78 0.09 -1.00 0.00 0.00 179.01 176.85 2ux1 n ASN 97 N -3.20 0.33 -4.77 1.42 3.02 -0.79 -4.96 115.26 106.31 2ux1 n ASN 97 Ca 0.02 -0.18 -0.37 0.00 -0.03 0.00 0.00 54.58 54.01 2ux1 n ASN 97 Cb 0.72 1.79 -0.03 0.00 -0.61 0.00 0.00 39.78 41.65 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 -4.15 6.75 0.00 6.41 0.15 -0.56 -4.86 113.70 117.43 2ux1 s SER 98 Ca -0.05 2.16 0.27 0.00 0.70 0.00 0.00 55.95 59.03 2ux1 s SER 98 Cb 0.14 -2.60 0.93 0.00 -1.71 0.00 0.00 66.02 62.78 2ux1 s SER 98 CO 0.87 -0.50 1.69 0.00 1.20 0.00 0.00 173.24 176.49 2ux1 n GLN 99 N 0.13 0.32 -3.03 5.44 1.13 -1.26 -4.89 117.38 115.21 2ux1 n GLN 99 Ca 0.04 -0.13 -0.38 0.00 -1.94 0.00 0.00 57.00 54.59 2ux1 n GLN 99 Cb 0.48 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 29.27 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 -2.78 4.47 -0.15 1.08 1.43 -1.26 -5.06 118.68 116.41 2ux1 s LEU 100 Ca 0.19 1.54 -0.04 0.00 -1.03 0.00 0.00 54.13 54.79 2ux1 s LEU 100 Cb 0.19 -3.44 -0.03 0.00 0.03 0.00 0.00 46.19 42.94 2ux1 s LEU 100 CO 0.57 0.12 -0.02 -1.59 0.23 0.00 0.00 176.35 175.67 2ux1 s LYS 101 N -1.54 3.67 0.06 1.70 0.00 -1.26 -5.08 119.74 117.28 2ux1 s LYS 101 Ca 0.39 -0.48 -0.03 0.00 0.00 0.00 0.00 55.97 55.85 2ux1 s LYS 101 Cb -0.20 -2.96 -0.05 0.00 0.00 0.00 0.00 37.83 34.63 2ux1 s LYS 101 CO 0.23 0.29 0.26 -1.21 0.00 0.00 0.00 175.35 174.93 2ux1 s GLU 102 N 0.24 3.52 0.24 1.78 2.02 -1.26 -5.11 118.70 120.13 2ux1 s GLU 102 Ca -0.01 -0.24 0.08 0.00 0.02 0.00 0.00 54.97 54.82 2ux1 s GLU 102 Cb -0.14 -3.01 -0.05 0.00 0.10 0.00 0.00 34.13 31.03 2ux1 s GLU 102 CO 0.02 0.59 -0.13 0.14 0.02 0.00 0.00 175.26 175.91 2ux1 s VAL 103 N -1.47 1.85 0.45 2.63 -7.23 -1.26 -5.13 120.40 110.25 2ux1 s VAL 103 Ca 0.33 -2.22 -0.25 0.00 -1.81 0.00 0.00 61.98 58.03 2ux1 s VAL 103 Cb -0.13 -2.20 -0.08 0.00 0.56 0.00 0.00 36.38 34.53 2ux1 s VAL 103 CO 0.23 -0.48 1.35 -0.76 -0.31 0.00 0.00 175.10 175.13 2ux1 s LEU 104 N -3.39 4.10 0.40 1.32 1.43 -1.26 -4.95 118.68 116.34 2ux1 s LEU 104 Ca 0.26 2.76 -0.25 0.00 -1.03 0.00 0.00 54.13 55.86 2ux1 s LEU 104 Cb -0.00 -4.00 -0.08 0.00 0.03 0.00 0.00 46.19 42.13 2ux1 s LEU 104 CO 0.10 -1.11 1.21 -0.83 0.23 0.00 0.00 176.35 175.95 2ux1 s GLY 105 N -0.73 2.88 -0.09 -3.19 0.00 -1.26 -5.04 107.32 99.90 2ux1 s GLY 105 Ca 0.61 1.05 -0.04 0.00 0.00 0.00 0.00 44.72 46.34 2ux1 s GLY 105 CO 0.51 1.58 0.18 -0.35 0.00 0.00 0.00 173.10 175.02 2ux1 s ASP 106 N -1.02 0.69 0.55 1.64 -1.08 -1.26 -5.03 116.67 111.16 2ux1 s ASP 106 Ca 0.57 0.37 0.34 0.00 -0.52 0.00 0.00 52.55 53.31 2ux1 s ASP 106 Cb -0.33 0.36 1.46 0.00 -1.46 0.00 0.00 42.92 42.95 2ux1 s ASP 106 CO 0.42 -0.25 2.02 1.88 0.52 0.00 0.00 175.17 179.76 2ux1 h TYR 107 N 8.35 0.00 0.01 -5.34 0.05 -1.97 -3.28 116.97 114.79 2ux1 h TYR 107 Ca -0.13 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.45 2ux1 h TYR 107 Cb 1.12 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.84 2ux1 h TYR 107 CO 0.41 0.03 -0.89 -0.91 -1.05 0.00 0.00 178.16 175.75 2ux1 h ASN 108 N 0.00 0.19 -1.21 3.88 -0.26 -1.96 -3.39 115.58 112.83 2ux1 h ASN 108 Ca -0.00 -0.16 -0.70 0.00 -0.56 0.00 0.00 56.30 54.88 2ux1 h ASN 108 Cb 0.46 -0.06 0.09 0.00 -1.06 0.00 0.00 38.32 37.75 2ux1 h ASN 108 CO 0.00 0.98 -0.23 0.52 -1.06 0.00 0.00 177.43 177.65 2ux1 n VAL 109 N -3.62 1.32 -2.09 2.81 0.31 -1.24 -4.93 118.33 110.90 2ux1 n VAL 109 Ca -0.03 -0.33 -0.32 0.00 -0.01 0.00 0.00 64.34 63.65 2ux1 n VAL 109 Cb 0.82 -0.17 0.00 0.00 -0.91 0.00 0.00 33.84 33.58 2ux1 n VAL 109 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2ux1 s THR 110 N -0.63 3.96 0.24 2.52 -4.23 -1.26 -4.52 115.64 111.71 2ux1 s THR 110 Ca 0.72 0.92 -0.05 0.00 -1.18 0.00 0.00 61.69 62.09 2ux1 s THR 110 Cb -1.00 -3.45 0.21 0.00 1.34 0.00 0.00 72.50 69.61 2ux1 s THR 110 CO 0.56 -0.56 1.70 0.40 -0.54 0.00 0.00 174.62 176.19 2ux1 h ILE 111 N 0.48 0.58 -0.43 2.99 1.08 -1.91 -0.56 117.51 119.75 2ux1 h ILE 111 Ca -0.47 -0.11 -0.07 0.00 -0.39 0.00 0.00 64.86 63.82 2ux1 h ILE 111 Cb 1.21 0.23 -0.02 0.00 -3.07 0.00 0.00 36.82 35.17 2ux1 h ILE 111 CO 0.58 0.06 -0.02 -0.33 -0.69 0.00 0.00 178.15 177.76 2ux1 h GLU 112 N 0.33 0.70 -0.64 2.37 5.08 -1.93 -0.20 114.58 120.29 2ux1 h GLU 112 Ca 0.40 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.49 2ux1 h GLU 112 Cb 0.64 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2ux1 h GLU 112 CO -0.45 0.73 0.07 0.93 -1.00 0.00 0.00 179.01 179.28 2ux1 h GLU 113 N 0.66 1.09 -0.21 2.33 5.08 -1.77 -0.57 114.58 121.19 2ux1 h GLU 113 Ca 0.13 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2ux1 h GLU 113 Cb 0.43 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2ux1 h GLU 113 CO 0.02 1.02 0.13 1.96 -1.00 0.00 0.00 179.01 181.14 2ux1 h GLN 114 N 1.00 0.29 -0.71 2.33 1.08 -0.36 -0.21 115.11 118.54 2ux1 h GLN 114 Ca 0.19 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.30 2ux1 h GLN 114 Cb 0.48 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.83 2ux1 h GLN 114 CO 0.02 0.23 0.18 -0.07 -0.95 0.00 0.00 178.83 178.24 2ux1 h LEU 115 N 0.26 1.06 -0.96 1.46 3.38 -0.97 -2.14 115.31 117.40 2ux1 h LEU 115 Ca 0.08 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.86 2ux1 h LEU 115 Cb 0.02 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.43 2ux1 h LEU 115 CO -0.01 1.01 0.63 0.00 0.09 0.00 0.00 178.44 180.16 2ux1 h ALA 116 N 1.12 1.27 -0.58 1.53 0.00 -0.84 -0.60 119.26 121.16 2ux1 h ALA 116 Ca 0.22 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2ux1 h ALA 116 Cb 0.36 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2ux1 h ALA 116 CO 0.00 0.52 0.26 -0.09 0.00 0.00 0.00 179.25 179.94 2ux1 h ARG 117 N 1.23 0.85 -0.64 0.00 9.65 -0.42 -0.58 114.38 124.46 2ux1 h ARG 117 Ca 0.38 -0.14 0.05 0.00 -1.10 0.00 0.00 59.98 59.18 2ux1 h ARG 117 Cb -0.01 -0.15 -0.05 0.00 -1.39 0.00 0.00 29.97 28.37 2ux1 h ARG 117 CO -0.12 0.71 0.36 0.28 2.80 0.00 0.00 179.97 184.00 2ux1 h VAL 118 N 0.79 0.98 -0.74 0.20 2.07 -0.94 -1.05 116.25 117.56 2ux1 h VAL 118 Ca 0.20 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.50 2ux1 h VAL 118 Cb 0.15 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.13 2ux1 h VAL 118 CO -0.02 0.12 0.49 0.58 0.02 0.00 0.00 177.57 178.76 2ux1 h VAL 119 N 0.67 1.18 -0.40 2.57 2.07 -0.74 0.85 116.25 122.45 2ux1 h VAL 119 Ca 0.28 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.49 2ux1 h VAL 119 Cb 0.16 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 2ux1 h VAL 119 CO -0.17 0.18 0.22 -0.33 0.02 0.00 0.00 177.57 177.49 2ux1 h GLU 120 N 0.99 0.43 -0.60 1.57 3.07 -0.23 0.68 114.58 120.50 2ux1 h GLU 120 Ca 0.27 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.08 2ux1 h GLU 120 Cb -0.10 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 27.68 2ux1 h GLU 120 CO -0.06 0.29 0.27 0.28 -1.40 0.00 0.00 179.01 178.38 2ux1 h VAL 121 N 0.45 1.22 -0.59 3.13 2.07 -0.75 -2.45 116.25 119.33 2ux1 h VAL 121 Ca 0.16 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 2ux1 h VAL 121 Cb 0.04 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 2ux1 h VAL 121 CO -0.09 0.26 0.21 -0.26 0.02 0.00 0.00 177.57 177.71 2ux1 h PHE 122 N 0.82 0.92 -0.58 1.57 0.04 -0.38 -1.01 116.94 118.31 2ux1 h PHE 122 Ca 0.20 -0.08 0.07 0.00 2.80 0.00 0.00 57.97 60.97 2ux1 h PHE 122 Cb 0.15 -0.27 -0.06 0.00 2.20 0.00 0.00 35.95 37.97 2ux1 h PHE 122 CO 0.00 0.75 0.26 0.00 -0.60 0.00 0.00 178.31 178.72 2ux1 h ARG 123 N 0.82 0.46 -0.12 1.51 3.08 -0.78 0.90 114.38 120.25 2ux1 h ARG 123 Ca 0.19 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.23 2ux1 h ARG 123 Cb 0.24 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 2ux1 h ARG 123 CO -0.01 0.30 0.02 -0.92 -1.07 0.00 0.00 179.97 178.29 2ux1 h TYR 124 N 0.47 0.03 -0.72 3.04 3.20 -1.08 -1.48 116.97 120.43 2ux1 h TYR 124 Ca 0.28 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.17 2ux1 h TYR 124 Cb 0.27 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.51 2ux1 h TYR 124 CO -0.13 0.01 0.47 -0.07 -1.64 0.00 0.00 178.16 176.80 2ux1 h LEU 125 N 0.07 0.81 -0.82 2.82 3.38 -0.65 0.17 115.31 121.10 2ux1 h LEU 125 Ca 0.05 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.02 2ux1 h LEU 125 Cb 0.05 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 2ux1 h LEU 125 CO -0.07 0.58 0.54 0.00 0.09 0.00 0.00 178.44 179.58 2ux1 h ALA 126 N 1.28 1.04 -0.34 1.53 0.00 -0.66 0.35 119.26 122.46 2ux1 h ALA 126 Ca 0.27 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 2ux1 h ALA 126 Cb -0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 2ux1 h ALA 126 CO -0.07 0.43 -0.26 0.00 0.00 0.00 0.00 179.25 179.35 2ux1 h ALA 127 N 1.31 0.91 -0.61 0.00 0.00 -0.76 -1.36 119.26 118.74 2ux1 h ALA 127 Ca 0.30 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2ux1 h ALA 127 Cb -0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2ux1 h ALA 127 CO -0.07 0.62 0.11 1.25 0.00 0.00 0.00 179.25 181.16 2ux1 h LEU 128 N 0.60 0.96 -1.17 0.00 5.85 -0.05 -2.26 115.31 119.23 2ux1 h LEU 128 Ca 0.08 -0.25 -0.09 0.00 0.84 0.00 0.00 57.88 58.46 2ux1 h LEU 128 Cb 0.75 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2ux1 h LEU 128 CO 0.06 0.97 -0.41 -0.26 -0.34 0.00 0.00 178.44 178.46 2ux1 h PHE 129 N 0.91 0.00 0.06 1.25 0.04 -0.03 -0.07 116.94 119.10 2ux1 h PHE 129 Ca 0.19 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 2ux1 h PHE 129 Cb 0.41 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.56 2ux1 h PHE 129 CO 0.03 0.41 -0.03 0.37 -0.60 0.00 0.00 178.31 178.49 2ux1 h GLN 130 N 0.00 -0.07 -0.79 1.51 5.75 -1.06 0.11 115.11 120.56 2ux1 h GLN 130 Ca -0.00 0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.58 2ux1 h GLN 130 Cb 0.74 0.02 -0.07 0.00 1.07 0.00 0.00 27.48 29.24 2ux1 h GLN 130 CO 0.05 0.13 0.45 0.87 -2.65 0.00 0.00 178.83 177.69 2ux1 h LYS 131 N -0.27 0.76 -0.36 1.69 6.56 -1.13 0.34 116.57 124.17 2ux1 h LYS 131 Ca -0.01 -0.05 0.04 0.00 -1.06 0.00 0.00 60.65 59.58 2ux1 h LYS 131 Cb 0.24 -0.17 -0.04 0.00 -0.57 0.00 0.00 32.23 31.69 2ux1 h LYS 131 CO 0.01 0.51 0.11 0.78 -2.06 0.00 0.00 179.45 178.80 2ux1 h GLY 132 N 0.79 0.45 0.94 3.86 0.00 -0.87 -1.38 103.07 106.85 2ux1 h GLY 132 Ca 0.37 -0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.64 2ux1 h GLY 132 CO -0.22 0.02 0.07 -2.75 0.00 0.00 0.00 176.54 173.66 2ux1 h PHE 133 N 0.26 0.14 0.03 5.60 3.57 0.22 -2.12 116.94 124.64 2ux1 h PHE 133 Ca 0.16 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.68 2ux1 h PHE 133 Cb 0.15 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 2ux1 h PHE 133 CO -0.15 0.08 -0.10 -0.44 -2.23 0.00 0.00 178.31 175.47 2ux1 h ASP 134 N 0.16 -0.28 0.38 0.41 3.32 -0.10 -1.43 116.42 118.89 2ux1 h ASP 134 Ca 0.06 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.04 2ux1 h ASP 134 Cb 0.01 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2ux1 h ASP 134 CO -0.04 -0.15 -0.46 0.58 -1.72 0.00 0.00 179.24 177.45 2ux1 h VAL 135 N -0.19 1.33 0.00 -1.35 2.07 -1.26 -2.75 116.25 114.10 2ux1 h VAL 135 Ca 0.03 -1.61 -0.11 0.00 0.82 0.00 0.00 66.70 65.83 2ux1 h VAL 135 Cb 0.22 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 2ux1 h VAL 135 CO -0.08 0.47 -0.55 0.77 0.02 0.00 0.00 177.57 178.20 2ux1 h SER 136 N 0.08 0.00 0.21 0.57 4.64 -1.26 -2.76 113.55 115.03 2ux1 h SER 136 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2ux1 h SER 136 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 2ux1 h SER 136 CO 0.06 0.52 -0.10 -0.78 -0.87 0.00 0.00 176.83 175.66 2ux1 h ASP 137 N 0.00 -0.24 -0.46 4.97 3.58 -0.98 -1.53 116.42 121.76 2ux1 h ASP 137 Ca -0.01 -0.15 -0.02 0.00 0.42 0.00 0.00 57.03 57.27 2ux1 h ASP 137 Cb 1.40 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 42.49 2ux1 h ASP 137 CO 0.07 0.02 0.22 -0.33 -2.88 0.00 0.00 179.24 176.34 2ux1 h GLU 138 N -0.50 0.67 0.00 0.28 3.07 -1.57 -2.96 114.58 113.57 2ux1 h GLU 138 Ca -0.03 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 2ux1 h GLU 138 Cb 0.38 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 2ux1 h GLU 138 CO 0.05 0.57 0.00 0.39 -1.40 0.00 0.00 179.01 178.62 2ux1 n GLU 139 N -4.63 0.21 -0.45 2.33 1.02 -1.04 -4.90 120.64 113.18 2ux1 n GLU 139 Ca 0.01 0.37 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 2ux1 n GLU 139 Cb 0.12 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 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 0.33 0.75 3.43 0.62 0.00 -1.01 -4.73 105.19 104.58 2ux1 n GLY 140 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 4.90 0.17 1.61 -0.08 -0.61 -4.84 116.55 117.71 2ux1 n ASP 141 Ca 0.00 -2.94 0.04 0.00 -1.51 0.00 0.00 54.79 50.39 2ux1 n ASP 141 Cb 0.00 -1.68 0.46 0.00 2.34 0.00 0.00 41.12 42.23 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 7.20 0.12 -0.13 1.67 4.64 -1.94 -1.87 113.55 123.25 2ux1 h SER 142 Ca 0.43 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.68 2ux1 h SER 142 Cb 0.83 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.89 2ux1 h SER 142 CO 1.46 0.27 -0.12 0.58 -0.87 0.00 0.00 176.83 178.15 2ux1 h VAL 143 N 0.12 1.35 -0.78 0.95 2.07 -1.95 -2.35 116.25 115.66 2ux1 h VAL 143 Ca 0.03 -1.27 0.01 0.00 0.82 0.00 0.00 66.70 66.29 2ux1 h VAL 143 Cb 0.31 1.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 2ux1 h VAL 143 CO 0.02 0.37 0.52 0.74 0.02 0.00 0.00 177.57 179.24 2ux1 h THR 144 N -0.08 1.18 -0.63 2.57 2.02 -1.92 -2.25 112.91 113.80 2ux1 h THR 144 Ca 0.02 -0.36 0.05 0.00 0.77 0.00 0.00 66.41 66.90 2ux1 h THR 144 Cb 0.64 0.06 -0.05 0.00 -1.74 0.00 0.00 68.15 67.06 2ux1 h THR 144 CO 0.03 0.19 0.35 -1.13 0.37 0.00 0.00 175.52 175.33 2ux1 h ASN 145 N 1.03 0.52 0.18 4.18 -0.73 -1.16 -2.52 115.58 117.08 2ux1 h ASN 145 Ca 0.29 0.03 -0.21 0.00 1.87 0.00 0.00 56.30 58.28 2ux1 h ASN 145 Cb -0.08 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 38.44 2ux1 h ASN 145 CO -0.07 0.34 -0.82 -0.78 -0.37 0.00 0.00 177.43 175.73 2ux1 h ASP 146 N 0.65 0.62 -0.28 1.15 3.58 -0.96 -2.39 116.42 118.80 2ux1 h ASP 146 Ca 0.28 -0.44 0.06 0.00 0.42 0.00 0.00 57.03 57.35 2ux1 h ASP 146 Cb 0.17 -0.18 -0.06 0.00 1.72 0.00 0.00 39.33 40.97 2ux1 h ASP 146 CO -0.17 1.21 -0.10 0.40 -2.88 0.00 0.00 179.24 177.70 2ux1 h ILE 147 N 0.32 0.65 -0.52 2.25 2.04 -1.28 -1.06 117.51 119.92 2ux1 h ILE 147 Ca -0.06 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.73 2ux1 h ILE 147 Cb 1.43 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 2ux1 h ILE 147 CO 0.15 0.00 0.04 -0.26 0.00 0.00 0.00 178.15 178.08 2ux1 h PHE 148 N -0.05 0.89 -0.30 1.37 0.04 -1.44 -2.59 116.94 114.87 2ux1 h PHE 148 Ca 0.14 -0.12 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 2ux1 h PHE 148 Cb 0.26 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 2ux1 h PHE 148 CO -0.30 0.80 0.07 -0.97 -0.60 0.00 0.00 178.31 177.31 2ux1 h ASN 149 N 0.79 0.46 -0.59 2.17 -1.24 -1.06 0.43 115.58 116.54 2ux1 h ASN 149 Ca 0.16 -0.23 -0.04 0.00 0.71 0.00 0.00 56.30 56.89 2ux1 h ASN 149 Cb 0.42 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 39.32 2ux1 h ASN 149 CO 0.01 0.57 0.20 0.58 -1.29 0.00 0.00 177.43 177.51 2ux1 h VAL 150 N 0.32 1.24 -0.22 2.57 2.07 -1.18 -1.00 116.25 120.05 2ux1 h VAL 150 Ca 0.09 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 2ux1 h VAL 150 Cb 0.29 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2ux1 h VAL 150 CO 0.00 0.30 -0.06 0.00 0.02 0.00 0.00 177.57 177.83 2ux1 h ALA 151 N 1.06 0.30 -0.54 1.67 0.00 -1.40 -2.69 119.26 117.66 2ux1 h ALA 151 Ca 0.19 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.89 2ux1 h ALA 151 Cb 0.25 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 2ux1 h ALA 151 CO -0.01 0.09 0.27 -0.22 0.00 0.00 0.00 179.25 179.38 2ux1 h LYS 152 N 0.15 0.50 -0.47 0.00 3.64 -0.77 -1.57 116.57 118.05 2ux1 h LYS 152 Ca 0.05 -0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.49 2ux1 h LYS 152 Cb 0.51 -0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 32.15 2ux1 h LYS 152 CO 0.02 0.33 0.05 0.00 -2.27 0.00 0.00 179.45 177.58 2ux1 h ALA 153 N 1.30 0.48 -0.22 5.00 0.00 -1.09 -0.23 119.26 124.50 2ux1 h ALA 153 Ca 0.24 0.12 -0.17 0.00 0.00 0.00 0.00 54.91 55.10 2ux1 h ALA 153 Cb 0.17 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2ux1 h ALA 153 CO -0.18 -0.35 -0.54 1.03 0.00 0.00 0.00 179.25 179.21 2ux1 h SER 154 N 0.17 0.86 -0.87 0.00 0.87 -1.12 -2.22 113.55 111.24 2ux1 h SER 154 Ca 0.24 -0.56 -0.01 0.00 -1.23 0.00 0.00 61.79 60.22 2ux1 h SER 154 Cb 0.33 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 2ux1 h SER 154 CO -0.35 1.27 0.50 0.40 -0.53 0.00 0.00 176.83 178.11 2ux1 h ILE 155 N 0.49 1.25 -0.52 2.23 1.08 -1.15 -1.81 117.51 119.07 2ux1 h ILE 155 Ca -0.00 -0.58 -0.07 0.00 -0.39 0.00 0.00 64.86 63.81 2ux1 h ILE 155 Cb 1.15 0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 34.94 2ux1 h ILE 155 CO 0.12 0.27 0.03 -0.33 -0.69 0.00 0.00 178.15 177.55 2ux1 h GLU 156 N 1.20 0.86 -0.85 2.37 5.08 -0.98 -1.30 114.58 120.96 2ux1 h GLU 156 Ca 0.31 -0.23 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2ux1 h GLU 156 Cb -0.01 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.09 2ux1 h GLU 156 CO -0.05 0.84 0.55 -0.22 -1.00 0.00 0.00 179.01 179.13 2ux1 h LYS 157 N 0.81 1.03 -0.47 2.33 3.64 -0.94 -2.47 116.57 120.49 2ux1 h LYS 157 Ca 0.16 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 2ux1 h LYS 157 Cb 0.44 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2ux1 h LYS 157 CO 0.02 0.68 -0.02 0.45 -2.27 0.00 0.00 179.45 178.31 2ux1 h HIS 158 N 1.06 0.84 0.06 1.91 3.86 -0.80 -2.27 115.15 119.81 2ux1 h HIS 158 Ca 0.34 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 2ux1 h HIS 158 Cb 0.02 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.26 2ux1 h HIS 158 CO -0.02 0.79 -0.05 0.82 0.86 0.00 0.00 177.93 180.33 2ux1 h ILE 159 N 0.73 0.88 -0.46 2.45 2.04 -0.98 0.60 117.51 122.77 2ux1 h ILE 159 Ca 0.14 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.07 2ux1 h ILE 159 Cb 0.48 0.88 -0.09 0.00 -0.74 0.00 0.00 36.82 37.34 2ux1 h ILE 159 CO 0.02 0.00 -0.47 -0.25 0.00 0.00 0.00 178.15 177.46 2ux1 h TRP 160 N -0.12 -1.38 -0.67 1.37 7.01 -1.31 0.14 115.95 120.98 2ux1 h TRP 160 Ca 0.00 0.08 -0.05 0.00 2.11 0.00 0.00 58.89 61.03 2ux1 h TRP 160 Cb 0.12 0.67 -0.03 0.00 -2.10 0.00 0.00 29.16 27.82 2ux1 h TRP 160 CO -0.10 -0.45 0.22 0.52 -2.79 0.00 0.00 178.44 175.85 2ux1 h MET 161 N -0.32 1.03 -0.23 2.65 2.86 -1.05 0.78 114.93 120.65 2ux1 h MET 161 Ca 0.13 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 2ux1 h MET 161 Cb 0.58 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 2ux1 h MET 161 CO -0.62 0.89 0.06 -0.07 1.06 0.00 0.00 176.91 178.24 2ux1 h LEU 162 N 0.97 0.35 -1.06 1.22 3.38 -0.68 -1.33 115.31 118.16 2ux1 h LEU 162 Ca 0.22 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.99 2ux1 h LEU 162 Cb 0.28 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 2ux1 h LEU 162 CO -0.01 0.48 0.63 1.56 0.09 0.00 0.00 178.44 181.19 2ux1 h GLN 163 N 0.20 1.20 -0.28 1.13 1.08 -0.56 -1.83 115.11 116.04 2ux1 h GLN 163 Ca 0.07 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2ux1 h GLN 163 Cb 0.26 -0.27 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 2ux1 h GLN 163 CO -0.00 0.80 0.15 0.00 -0.95 0.00 0.00 178.83 178.83 2ux1 h ALA 164 N 1.43 0.36 -0.98 3.87 0.00 -0.56 0.20 119.26 123.58 2ux1 h ALA 164 Ca 0.37 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.38 2ux1 h ALA 164 Cb -0.04 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.55 2ux1 h ALA 164 CO -0.11 -0.12 0.61 1.49 0.00 0.00 0.00 179.25 181.13 2ux1 h GLU 165 N 0.34 0.78 -0.13 0.00 4.57 -1.01 -0.62 114.58 118.51 2ux1 h GLU 165 Ca 0.10 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 2ux1 h GLU 165 Cb 0.06 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.47 2ux1 h GLU 165 CO -0.02 0.52 0.00 1.28 -1.18 0.00 0.00 179.01 179.61 2ux1 n LEU 166 N -4.66 0.75 -0.81 1.64 4.77 -0.41 -4.87 117.00 113.40 2ux1 n LEU 166 Ca 0.21 -0.37 -0.09 0.00 -0.03 0.00 0.00 56.01 55.73 2ux1 n LEU 166 Cb 0.50 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 2ux1 n LEU 166 CO 0.25 0.18 -0.09 0.61 -1.33 0.00 0.00 177.39 177.01 2ux1 n GLY 167 N 0.75 0.55 3.29 -0.72 0.00 -0.24 -5.03 105.19 103.79 2ux1 n GLY 167 Ca 0.06 -0.59 -0.17 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.54 1.17 0.78 1.61 -0.21 0.57 -5.00 119.66 115.05 2ux1 s GLN 168 Ca 0.00 -1.46 -0.13 0.00 0.02 0.00 0.00 55.36 53.79 2ux1 s GLN 168 Cb 0.00 -0.91 0.07 0.00 1.00 0.00 0.00 33.01 33.17 2ux1 s GLN 168 CO 0.00 0.15 1.16 0.00 -2.12 0.00 0.00 175.29 174.48 2ux1 s ALA 169 N -2.87 2.00 0.27 6.09 0.00 -1.26 -3.26 121.76 122.72 2ux1 s ALA 169 Ca 0.17 0.64 -0.03 0.00 0.00 0.00 0.00 51.96 52.75 2ux1 s ALA 169 Cb -0.01 -3.41 0.38 0.00 0.00 0.00 0.00 23.12 20.09 2ux1 s ALA 169 CO 0.04 -2.05 1.90 -1.35 0.00 0.00 0.00 175.76 174.30 2ux1 h PRO 170 N -0.87 1.18 -6.30 0.00 0.11 -1.88 -3.46 132.00 120.78 2ux1 h PRO 170 Ca -0.45 -0.07 -0.45 0.00 0.11 0.00 0.00 66.00 65.13 2ux1 h PRO 170 Cb 1.27 -0.27 0.04 0.00 0.11 0.00 0.00 31.00 32.15 2ux1 h PRO 170 CO 0.48 0.78 -0.91 1.63 -0.21 0.00 0.00 178.00 179.77 2ux1 n LYS 171 N -4.46 -2.31 0.00 1.05 5.02 -1.26 -4.84 118.16 111.35 2ux1 n LYS 171 Ca 0.14 0.46 0.08 0.00 -2.02 0.00 0.00 58.31 56.97 2ux1 n LYS 171 Cb 0.13 -4.37 0.46 0.00 -0.02 0.00 0.00 35.03 31.23 2ux1 n LYS 171 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16