#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 3.99 -0.35 2.46 4.77 -1.26 -4.75 117.00 121.86 2ux1 n LEU 22 Ca 0.00 -3.32 -0.03 0.00 -0.03 0.00 0.00 56.01 52.63 2ux1 n LEU 22 Cb 0.00 -0.58 0.10 0.00 -2.33 0.00 0.00 43.42 40.60 2ux1 n LEU 22 CO 0.00 0.90 1.26 0.00 -1.33 0.00 0.00 177.39 178.22 2ux1 h ALA 23 N 1.40 1.19 -0.13 -1.18 0.00 -1.99 -0.70 119.26 117.85 2ux1 h ALA 23 Ca 0.10 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2ux1 h ALA 23 Cb 1.55 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2ux1 h ALA 23 CO 0.30 0.60 -0.27 -0.44 0.00 0.00 0.00 179.25 179.44 2ux1 h ASP 24 N 1.28 0.46 -0.46 0.00 3.32 -1.95 -1.83 116.42 117.24 2ux1 h ASP 24 Ca 0.34 -0.56 0.07 0.00 0.02 0.00 0.00 57.03 56.90 2ux1 h ASP 24 Cb -0.13 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.22 2ux1 h ASP 24 CO -0.07 0.94 0.11 0.28 -1.72 0.00 0.00 179.24 178.78 2ux1 h SER 25 N 0.01 0.05 -0.86 6.45 0.02 -1.81 -1.51 113.55 115.91 2ux1 h SER 25 Ca 0.00 0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.05 2ux1 h SER 25 Cb 0.86 0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.44 2ux1 h SER 25 CO 0.06 0.06 0.56 0.11 -1.14 0.00 0.00 176.83 176.48 2ux1 h LYS 26 N 0.26 1.07 -0.32 3.45 1.57 -1.10 -1.40 116.57 120.11 2ux1 h LYS 26 Ca 0.23 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.82 2ux1 h LYS 26 Cb 0.27 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2ux1 h LYS 26 CO -0.28 0.71 -0.30 0.00 -0.57 0.00 0.00 179.45 179.02 2ux1 h ALA 27 N 1.34 0.89 -0.10 3.86 0.00 -0.59 -1.73 119.26 122.93 2ux1 h ALA 27 Ca 0.33 -0.39 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 2ux1 h ALA 27 Cb -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2ux1 h ALA 27 CO -0.10 0.63 -0.78 -0.24 0.00 0.00 0.00 179.25 178.76 2ux1 h VAL 28 N 0.57 1.33 -0.84 0.00 3.04 -1.09 -0.65 116.25 118.61 2ux1 h VAL 28 Ca 0.07 -2.10 0.00 0.00 -1.01 0.00 0.00 66.70 63.66 2ux1 h VAL 28 Cb 0.79 2.09 -0.04 0.00 -2.01 0.00 0.00 31.29 32.12 2ux1 h VAL 28 CO 0.07 0.64 0.53 -0.07 -1.01 0.00 0.00 177.57 177.73 2ux1 h LEU 29 N 0.39 0.99 -0.24 3.16 3.38 -1.01 0.15 115.31 122.12 2ux1 h LEU 29 Ca -0.05 -0.04 -0.21 0.00 0.09 0.00 0.00 57.88 57.67 2ux1 h LEU 29 Cb 1.38 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 2ux1 h LEU 29 CO 0.15 0.74 -0.88 -1.13 0.09 0.00 0.00 178.44 177.40 2ux1 h ASN 30 N 1.15 0.50 -0.29 -0.43 -1.24 -1.15 -1.33 115.58 112.79 2ux1 h ASN 30 Ca 0.31 -0.38 0.05 0.00 0.71 0.00 0.00 56.30 56.98 2ux1 h ASN 30 Cb -0.09 -0.15 -0.04 0.00 0.73 0.00 0.00 38.32 38.76 2ux1 h ASN 30 CO -0.06 1.16 0.02 -0.61 -1.29 0.00 0.00 177.43 176.65 2ux1 h GLN 31 N 0.24 0.11 -0.98 6.67 5.75 -0.87 -1.59 115.11 124.42 2ux1 h GLN 31 Ca -0.06 -0.01 0.10 0.00 -0.15 0.00 0.00 58.65 58.53 2ux1 h GLN 31 Cb 1.50 -0.02 -0.08 0.00 1.07 0.00 0.00 27.48 29.95 2ux1 h GLN 31 CO 0.15 0.07 0.63 0.00 -2.65 0.00 0.00 178.83 177.03 2ux1 h ALA 32 N 1.24 1.51 0.12 3.38 0.00 -0.33 -0.32 119.26 124.85 2ux1 h ALA 32 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2ux1 h ALA 32 Cb 0.17 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2ux1 h ALA 32 CO -0.21 0.28 -0.06 0.28 0.00 0.00 0.00 179.25 179.54 2ux1 h VAL 33 N 1.03 0.93 0.26 0.00 2.07 -0.62 0.18 116.25 120.11 2ux1 h VAL 33 Ca 0.46 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.81 2ux1 h VAL 33 Cb 0.38 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2ux1 h VAL 33 CO -0.22 0.04 -0.22 0.00 0.02 0.00 0.00 177.57 177.19 2ux1 h ALA 34 N 0.64 -0.48 -0.68 1.67 0.00 -0.93 -1.64 119.26 117.84 2ux1 h ALA 34 Ca -0.02 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2ux1 h ALA 34 Cb 0.19 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2ux1 h ALA 34 CO 0.03 -0.79 0.42 -0.44 0.00 0.00 0.00 179.25 178.47 2ux1 h ASP 35 N -0.49 0.68 -0.41 0.00 3.32 -1.00 -1.81 116.42 116.70 2ux1 h ASP 35 Ca -0.01 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 2ux1 h ASP 35 Cb 0.44 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 2ux1 h ASP 35 CO -0.02 0.47 0.05 -0.07 -1.72 0.00 0.00 179.24 177.94 2ux1 h LEU 36 N 0.82 0.73 -0.53 1.55 3.38 -0.55 0.16 115.31 120.87 2ux1 h LEU 36 Ca 0.28 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2ux1 h LEU 36 Cb 0.04 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2ux1 h LEU 36 CO -0.12 0.77 0.32 0.28 0.09 0.00 0.00 178.44 179.78 2ux1 h SER 37 N 0.73 0.64 -0.23 -0.43 0.02 -0.94 0.17 113.55 113.51 2ux1 h SER 37 Ca 0.15 -0.06 -0.19 0.00 -0.84 0.00 0.00 61.79 60.85 2ux1 h SER 37 Cb 0.38 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2ux1 h SER 37 CO 0.01 0.51 -0.61 0.58 -1.14 0.00 0.00 176.83 176.18 2ux1 h VAL 38 N 0.71 1.28 -0.99 2.27 2.07 -1.10 -2.62 116.25 117.88 2ux1 h VAL 38 Ca 0.19 -1.80 0.05 0.00 0.82 0.00 0.00 66.70 65.96 2ux1 h VAL 38 Cb -0.01 1.79 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 2ux1 h VAL 38 CO -0.04 0.58 0.64 0.00 0.02 0.00 0.00 177.57 178.77 2ux1 h ALA 39 N 0.62 1.34 -0.60 1.67 0.00 -0.42 -1.26 119.26 120.61 2ux1 h ALA 39 Ca -0.01 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2ux1 h ALA 39 Cb 1.23 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2ux1 h ALA 39 CO 0.13 0.48 0.39 1.25 0.00 0.00 0.00 179.25 181.50 2ux1 h HIS 40 N 1.20 0.73 -0.39 0.00 6.17 -0.52 -1.12 115.15 121.22 2ux1 h HIS 40 Ca 0.41 0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.49 2ux1 h HIS 40 Cb 0.08 -0.25 -0.02 0.00 2.52 0.00 0.00 27.41 29.75 2ux1 h HIS 40 CO -0.00 0.45 0.17 0.66 0.71 0.00 0.00 177.93 179.92 2ux1 h SER 41 N 0.79 0.53 -0.45 3.26 4.64 -0.94 -1.15 113.55 120.23 2ux1 h SER 41 Ca 0.22 -0.15 0.01 0.00 -0.47 0.00 0.00 61.79 61.40 2ux1 h SER 41 Cb -0.06 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 61.87 2ux1 h SER 41 CO -0.06 0.53 0.29 0.40 -0.87 0.00 0.00 176.83 177.12 2ux1 h ILE 42 N 0.49 1.11 -0.43 0.95 2.04 -1.10 -0.17 117.51 120.40 2ux1 h ILE 42 Ca 0.13 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 2ux1 h ILE 42 Cb 0.15 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 2ux1 h ILE 42 CO -0.01 0.11 0.09 -0.07 0.00 0.00 0.00 178.15 178.27 2ux1 h LEU 43 N 0.60 0.60 -0.44 1.44 3.38 -0.96 -0.84 115.31 119.10 2ux1 h LEU 43 Ca 0.16 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 2ux1 h LEU 43 Cb -0.07 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 2ux1 h LEU 43 CO -0.04 0.61 -0.59 -0.74 0.09 0.00 0.00 178.44 177.77 2ux1 h HIS 44 N 0.63 0.78 -0.51 1.13 2.76 -0.86 -1.39 115.15 117.70 2ux1 h HIS 44 Ca 0.14 -0.29 0.02 0.00 -2.20 0.00 0.00 60.37 58.05 2ux1 h HIS 44 Cb 0.26 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.04 2ux1 h HIS 44 CO 0.01 1.05 0.30 0.37 -1.30 0.00 0.00 177.93 178.36 2ux1 h GLN 45 N 0.46 0.58 -0.11 5.26 4.15 -0.58 -2.12 115.11 122.76 2ux1 h GLN 45 Ca -0.00 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.39 2ux1 h GLN 45 Cb 1.16 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 2ux1 h GLN 45 CO 0.11 0.38 0.05 0.28 -1.93 0.00 0.00 178.83 177.73 2ux1 h VAL 46 N 0.60 0.99 -0.85 2.39 2.07 -0.97 0.00 116.25 120.48 2ux1 h VAL 46 Ca 0.21 -0.04 0.19 0.00 0.82 0.00 0.00 66.70 67.88 2ux1 h VAL 46 Cb 0.03 0.87 -0.16 0.00 -1.52 0.00 0.00 31.29 30.51 2ux1 h VAL 46 CO -0.10 0.02 -0.09 -0.74 0.02 0.00 0.00 177.57 176.69 2ux1 h HIS 47 N 0.11 -0.23 0.21 1.57 -0.00 -1.14 -1.69 115.15 113.99 2ux1 h HIS 47 Ca 0.05 0.07 -0.32 0.00 -0.00 0.00 0.00 60.37 60.16 2ux1 h HIS 47 Cb 0.01 0.23 0.02 0.00 -0.00 0.00 0.00 27.41 27.68 2ux1 h HIS 47 CO -0.09 -0.34 -1.51 -1.49 -0.00 0.00 0.00 177.93 174.50 2ux1 h TRP 48 N 0.04 0.81 -0.01 5.26 6.55 -1.03 -3.38 115.95 124.19 2ux1 h TRP 48 Ca 0.45 -0.59 0.00 0.00 0.95 0.00 0.00 58.89 59.70 2ux1 h TRP 48 Cb 0.79 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 29.06 2ux1 h TRP 48 CO -0.55 1.59 -0.29 0.66 -1.05 0.00 0.00 178.44 178.80 2ux1 n TYR 49 N -3.73 0.00 -1.67 0.49 4.01 -0.04 -4.94 117.16 111.27 2ux1 n TYR 49 Ca -0.20 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.08 2ux1 n TYR 49 Cb 1.05 -0.10 -0.04 0.00 -0.31 0.00 0.00 39.34 39.94 2ux1 n TYR 49 CO 0.00 0.00 0.00 -0.12 -0.46 0.00 0.00 176.86 176.28 2ux1 n MET 50 N -0.56 2.18 -3.80 -0.72 1.56 -0.64 -4.44 117.12 110.70 2ux1 n MET 50 Ca 0.12 0.78 -0.13 0.00 -0.27 0.00 0.00 57.70 58.21 2ux1 n MET 50 Cb 0.36 -2.54 -0.12 0.00 2.15 0.00 0.00 33.22 33.07 2ux1 n MET 50 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 2ux1 s ARG 51 N 0.73 0.25 0.00 2.12 0.52 -1.26 -5.04 118.95 116.27 2ux1 s ARG 51 Ca 0.77 0.31 0.00 0.00 -0.52 0.00 0.00 55.73 56.29 2ux1 s ARG 51 Cb -0.66 0.11 0.00 0.00 0.52 0.00 0.00 34.95 34.92 2ux1 s ARG 51 CO 0.39 -0.04 0.00 0.41 0.02 0.00 0.00 175.30 176.09 2ux1 n GLY 52 N 3.02 2.35 3.76 -3.53 0.00 -1.26 -4.00 105.19 105.53 2ux1 n GLY 52 Ca -0.13 -2.01 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 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 -1.74 4.39 0.00 1.61 1.81 -1.26 -1.92 118.95 121.85 2ux1 s ARG 53 Ca 0.00 2.14 0.00 0.00 -1.72 0.00 0.00 55.73 56.15 2ux1 s ARG 53 Cb 0.00 -3.11 0.00 0.00 -0.45 0.00 0.00 34.95 31.39 2ux1 s ARG 53 CO 0.00 -0.17 0.00 0.41 -0.68 0.00 0.00 175.30 174.86 2ux1 n GLY 54 N 1.29 1.35 0.28 -3.53 0.00 -1.26 -4.91 105.19 98.41 2ux1 n GLY 54 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.07 0.00 1.61 3.57 -1.77 -0.37 116.94 119.91 2ux1 h PHE 55 Ca 0.00 0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 2ux1 h PHE 55 Cb 0.00 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 2ux1 h PHE 55 CO 0.00 -0.26 -0.10 1.98 -2.23 0.00 0.00 178.31 177.70 2ux1 h MET 56 N 0.09 0.00 0.07 1.11 4.05 -1.94 0.11 114.93 118.42 2ux1 h MET 56 Ca 0.42 0.00 -0.29 0.00 -0.28 0.00 0.00 59.70 59.55 2ux1 h MET 56 Cb 0.75 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.53 2ux1 h MET 56 CO -0.69 0.10 -1.56 0.82 0.23 0.00 0.00 176.91 175.81 2ux1 h ILE 57 N 0.00 0.84 0.00 1.77 1.08 -1.71 -3.41 117.51 116.09 2ux1 h ILE 57 Ca -0.00 -2.29 -0.15 0.00 -0.39 0.00 0.00 64.86 62.02 2ux1 h ILE 57 Cb 0.35 2.46 -0.02 0.00 -3.07 0.00 0.00 36.82 36.54 2ux1 h ILE 57 CO 0.01 0.63 -0.83 -0.50 -0.69 0.00 0.00 178.15 176.78 2ux1 h TRP 58 N -0.43 0.00 0.62 1.37 4.06 -0.78 -2.91 115.95 117.88 2ux1 h TRP 58 Ca -0.36 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.56 2ux1 h TRP 58 Cb 1.68 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.84 2ux1 h TRP 58 CO 0.10 0.68 -0.39 1.25 -3.56 0.00 0.00 178.44 176.52 2ux1 h HIS 59 N 0.00 -1.06 0.00 0.49 2.76 -1.02 -1.17 115.15 115.16 2ux1 h HIS 59 Ca -0.04 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.09 2ux1 h HIS 59 Cb 1.55 0.38 -0.00 0.00 1.55 0.00 0.00 27.41 30.89 2ux1 h HIS 59 CO 0.00 -0.58 -0.13 -1.00 -1.30 0.00 0.00 177.93 174.91 2ux1 h PRO 60 N -0.96 0.00 -0.62 5.26 0.13 -1.78 -2.75 132.00 131.27 2ux1 h PRO 60 Ca -0.08 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 2ux1 h PRO 60 Cb 0.77 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.87 2ux1 h PRO 60 CO 0.08 0.13 0.34 -0.22 -0.23 0.00 0.00 178.00 178.10 2ux1 h LYS 61 N 0.00 0.86 -0.37 0.86 1.63 -1.27 -1.91 116.57 116.36 2ux1 h LYS 61 Ca -0.00 -0.09 0.04 0.00 -0.85 0.00 0.00 60.65 59.75 2ux1 h LYS 61 Cb 0.27 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 2ux1 h LYS 61 CO 0.02 0.64 0.25 0.52 -3.45 0.00 0.00 179.45 177.42 2ux1 h MET 62 N 0.87 0.31 -0.57 1.90 2.86 -0.90 -0.99 114.93 118.41 2ux1 h MET 62 Ca 0.22 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.75 2ux1 h MET 62 Cb 0.03 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 2ux1 h MET 62 CO -0.04 0.21 -0.01 -0.44 1.06 0.00 0.00 176.91 177.69 2ux1 h ASP 63 N 0.32 0.99 -0.30 1.22 3.32 -1.41 -0.41 116.42 120.15 2ux1 h ASP 63 Ca 0.16 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.90 2ux1 h ASP 63 Cb 0.23 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2ux1 h ASP 63 CO -0.03 1.06 0.19 -0.33 -1.72 0.00 0.00 179.24 178.40 2ux1 h GLU 64 N 0.90 0.40 -0.03 3.56 5.08 -1.06 -0.75 114.58 122.67 2ux1 h GLU 64 Ca 0.16 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2ux1 h GLU 64 Cb 0.56 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 2ux1 h GLU 64 CO 0.03 0.29 0.01 1.88 -1.00 0.00 0.00 179.01 180.22 2ux1 h TYR 65 N 0.39 0.02 -0.83 4.33 0.05 -1.15 -2.06 116.97 117.72 2ux1 h TYR 65 Ca 0.11 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.94 2ux1 h TYR 65 Cb -0.01 -0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.67 2ux1 h TYR 65 CO -0.05 0.01 0.52 0.52 -1.05 0.00 0.00 178.16 178.11 2ux1 h MET 66 N 0.03 0.94 -0.56 4.88 2.86 -0.95 0.52 114.93 122.65 2ux1 h MET 66 Ca 0.01 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2ux1 h MET 66 Cb 0.00 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.42 2ux1 h MET 66 CO -0.01 0.62 0.36 0.93 1.06 0.00 0.00 176.91 179.87 2ux1 h GLU 67 N 0.96 0.71 -0.23 1.72 3.07 -1.00 0.59 114.58 120.39 2ux1 h GLU 67 Ca 0.35 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 59.15 2ux1 h GLU 67 Cb 0.12 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 2ux1 h GLU 67 CO -0.15 0.47 0.08 1.49 -1.40 0.00 0.00 179.01 179.50 2ux1 h GLU 68 N 0.73 0.35 -0.63 2.33 4.81 -0.96 -1.30 114.58 119.91 2ux1 h GLU 68 Ca 0.21 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.39 2ux1 h GLU 68 Cb -0.06 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.23 2ux1 h GLU 68 CO -0.06 0.42 0.40 0.82 -0.73 0.00 0.00 179.01 179.86 2ux1 h ILE 69 N 0.22 1.10 -0.36 2.32 1.08 -0.75 -2.08 117.51 119.03 2ux1 h ILE 69 Ca 0.08 -0.27 -0.04 0.00 -0.39 0.00 0.00 64.86 64.24 2ux1 h ILE 69 Cb 0.20 0.24 -0.02 0.00 -3.07 0.00 0.00 36.82 34.18 2ux1 h ILE 69 CO -0.00 0.14 0.07 0.44 -0.69 0.00 0.00 178.15 178.11 2ux1 h ASP 70 N 0.79 0.50 -0.44 1.72 3.32 -0.73 -0.69 116.42 120.88 2ux1 h ASP 70 Ca 0.25 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 2ux1 h ASP 70 Cb -0.01 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 2ux1 h ASP 70 CO -0.09 0.52 0.12 1.23 -1.72 0.00 0.00 179.24 179.30 2ux1 h GLY 71 N 0.78 0.75 0.93 2.75 0.00 -0.62 -2.04 103.07 105.61 2ux1 h GLY 71 Ca 0.12 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 2ux1 h GLY 71 CO -0.00 0.43 0.09 -0.97 0.00 0.00 0.00 176.54 176.09 2ux1 h TYR 72 N 0.58 0.63 -0.49 5.60 0.05 -1.06 -2.07 116.97 120.20 2ux1 h TYR 72 Ca 0.14 -0.07 0.09 0.00 0.05 0.00 0.00 58.73 58.94 2ux1 h TYR 72 Cb 0.30 -0.18 -0.08 0.00 1.01 0.00 0.00 36.73 37.78 2ux1 h TYR 72 CO 0.02 0.62 0.05 1.25 -1.05 0.00 0.00 178.16 179.04 2ux1 h LEU 73 N 0.46 -0.10 -0.42 3.88 5.85 -0.98 0.47 115.31 124.47 2ux1 h LEU 73 Ca 0.12 0.10 -0.18 0.00 0.84 0.00 0.00 57.88 58.76 2ux1 h LEU 73 Cb 0.30 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 2ux1 h LEU 73 CO 0.00 -0.02 -0.61 -0.78 -0.34 0.00 0.00 178.44 176.69 2ux1 h ASP 74 N 0.17 0.69 -0.33 1.25 3.58 -1.35 0.04 116.42 120.47 2ux1 h ASP 74 Ca 0.25 -0.39 -0.07 0.00 0.42 0.00 0.00 57.03 57.23 2ux1 h ASP 74 Cb 0.36 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 2ux1 h ASP 74 CO -0.37 1.14 -0.08 -0.08 -2.88 0.00 0.00 179.24 176.97 2ux1 h GLU 75 N 0.45 0.64 -0.14 0.28 4.81 -1.02 -1.37 114.58 118.23 2ux1 h GLU 75 Ca -0.01 -0.25 -0.21 0.00 -0.13 0.00 0.00 59.36 58.76 2ux1 h GLU 75 Cb 1.18 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.54 2ux1 h GLU 75 CO 0.12 0.81 -0.75 0.52 -0.73 0.00 0.00 179.01 178.99 2ux1 h MET 76 N 0.42 0.75 -0.75 1.92 2.86 -0.85 -0.71 114.93 118.57 2ux1 h MET 76 Ca 0.08 -0.62 0.00 0.00 -2.06 0.00 0.00 59.70 57.10 2ux1 h MET 76 Cb 0.58 0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.34 2ux1 h MET 76 CO 0.03 1.23 0.47 1.03 1.06 0.00 0.00 176.91 180.74 2ux1 h SER 77 N 0.47 0.89 0.85 1.22 0.87 -1.02 -2.05 113.55 114.78 2ux1 h SER 77 Ca -0.05 -0.05 -0.13 0.00 -1.23 0.00 0.00 61.79 60.33 2ux1 h SER 77 Cb 1.38 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 63.10 2ux1 h SER 77 CO 0.15 0.67 -0.63 -0.33 -0.53 0.00 0.00 176.83 176.16 2ux1 h GLU 78 N 1.03 0.00 -0.66 2.24 5.08 -1.12 -1.93 114.58 119.21 2ux1 h GLU 78 Ca 0.27 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 2ux1 h GLU 78 Cb -0.07 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 2ux1 h GLU 78 CO -0.05 0.63 0.28 -0.09 -1.00 0.00 0.00 179.01 178.78 2ux1 h ARG 79 N 0.00 0.98 -0.84 2.33 9.65 -1.01 -0.28 114.38 125.22 2ux1 h ARG 79 Ca -0.01 -0.17 -0.03 0.00 -1.10 0.00 0.00 59.98 58.67 2ux1 h ARG 79 Cb 1.23 -0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 29.61 2ux1 h ARG 79 CO 0.08 0.81 0.40 1.25 2.80 0.00 0.00 179.97 185.31 2ux1 h LEU 80 N 0.93 1.10 -0.51 3.80 5.85 -0.92 -1.27 115.31 124.30 2ux1 h LEU 80 Ca 0.22 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2ux1 h LEU 80 Cb 0.18 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2ux1 h LEU 80 CO -0.02 0.93 0.27 0.40 -0.34 0.00 0.00 178.44 179.68 2ux1 h ILE 81 N 1.19 1.18 -0.37 4.05 2.04 -1.14 0.11 117.51 124.56 2ux1 h ILE 81 Ca 0.29 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 2ux1 h ILE 81 Cb 0.12 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2ux1 h ILE 81 CO -0.04 0.19 0.19 0.74 0.00 0.00 0.00 178.15 179.23 2ux1 h THR 82 N 0.68 1.13 -0.15 -0.27 2.02 -0.53 -1.37 112.91 114.41 2ux1 h THR 82 Ca 0.18 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.01 2ux1 h THR 82 Cb 0.07 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2ux1 h THR 82 CO -0.03 0.14 0.00 0.18 0.37 0.00 0.00 175.52 176.19 2ux1 n LEU 83 N -4.42 0.85 0.00 2.58 4.77 -0.52 -4.88 117.00 115.37 2ux1 n LEU 83 Ca 0.02 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 2ux1 n LEU 83 Cb 0.11 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2ux1 n LEU 83 CO 0.36 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 2ux1 n GLY 84 N 0.79 0.68 2.34 -0.72 0.00 -0.52 -5.06 105.19 102.71 2ux1 n GLY 84 Ca 0.07 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 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 0.73 2.63 -0.02 0.00 0.34 -5.00 105.19 101.29 2ux1 n GLY 85 Ca 0.00 -2.01 -0.29 0.00 0.00 0.00 0.00 46.02 43.72 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 -3.00 1.14 0.42 4.61 0.00 -1.26 -4.43 121.76 119.24 2ux1 s ALA 86 Ca 0.40 -1.49 -0.24 0.00 0.00 0.00 0.00 51.96 50.63 2ux1 s ALA 86 Cb -0.02 -1.54 -0.08 0.00 0.00 0.00 0.00 23.12 21.48 2ux1 s ALA 86 CO 0.26 -1.71 1.16 -1.25 0.00 0.00 0.00 175.76 174.22 2ux1 s PRO 87 N 1.71 3.96 0.43 0.00 0.04 -1.26 -4.98 135.00 134.90 2ux1 s PRO 87 Ca 0.10 1.78 -0.23 0.00 0.04 0.00 0.00 61.00 62.69 2ux1 s PRO 87 Cb -0.18 -2.57 -0.11 0.00 0.04 0.00 0.00 34.50 31.69 2ux1 s PRO 87 CO -0.27 -0.38 0.86 1.19 0.04 0.00 0.00 177.00 178.44 2ux1 n PHE 88 N -0.13 0.63 -2.02 0.56 3.72 -1.26 -4.90 117.46 114.06 2ux1 n PHE 88 Ca 0.05 0.57 -0.05 0.00 -0.05 0.00 0.00 57.45 57.98 2ux1 n PHE 88 Cb 0.47 -2.15 -0.05 0.00 -0.94 0.00 0.00 39.48 36.81 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 0.69 -0.71 -4.03 4.37 3.41 -1.26 -4.96 113.62 111.13 2ux1 n SER 89 Ca 0.10 -1.78 -0.10 0.00 -0.26 0.00 0.00 58.87 56.83 2ux1 n SER 89 Cb 0.39 0.21 -0.11 0.00 -0.26 0.00 0.00 64.21 64.45 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 0.28 0.28 6.66 -4.23 -1.26 -5.05 115.64 112.32 2ux1 s THR 90 Ca 0.01 -1.16 -0.03 0.00 -1.18 0.00 0.00 61.69 59.34 2ux1 s THR 90 Cb 0.01 -0.64 0.21 0.00 1.34 0.00 0.00 72.50 73.42 2ux1 s THR 90 CO -0.01 -0.57 1.89 -0.07 -0.54 0.00 0.00 174.62 175.32 2ux1 h LEU 91 N 4.27 0.91 -0.42 4.79 3.38 -1.99 -1.36 115.31 124.88 2ux1 h LEU 91 Ca -0.34 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 2ux1 h LEU 91 Cb 1.19 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 2ux1 h LEU 91 CO 0.46 0.76 0.24 0.50 0.09 0.00 0.00 178.44 180.49 2ux1 h LYS 92 N 1.00 0.59 -0.93 1.13 3.64 -1.99 -0.04 116.57 119.97 2ux1 h LYS 92 Ca 0.25 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.58 2ux1 h LYS 92 Cb 0.08 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 2ux1 h LYS 92 CO -0.03 0.47 0.61 0.93 -2.27 0.00 0.00 179.45 179.16 2ux1 h GLU 93 N 0.55 1.20 -0.16 1.90 5.08 -1.78 -1.01 114.58 120.35 2ux1 h GLU 93 Ca 0.15 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2ux1 h GLU 93 Cb 0.05 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 2ux1 h GLU 93 CO -0.02 0.79 0.00 0.74 -1.00 0.00 0.00 179.01 179.52 2ux1 h PHE 94 N 1.23 0.31 -0.36 4.33 0.04 -0.83 -2.10 116.94 119.56 2ux1 h PHE 94 Ca 0.35 -0.05 -0.06 0.00 2.80 0.00 0.00 57.97 61.01 2ux1 h PHE 94 Cb -0.09 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 37.96 2ux1 h PHE 94 CO -0.01 0.49 -0.02 1.03 -0.60 0.00 0.00 178.31 179.20 2ux1 h SER 95 N 0.03 0.64 0.35 2.17 0.87 -0.77 -1.31 113.55 115.54 2ux1 h SER 95 Ca 0.05 -0.32 -0.15 0.00 -1.23 0.00 0.00 61.79 60.13 2ux1 h SER 95 Cb 0.36 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 2ux1 h SER 95 CO 0.01 0.81 -0.64 -0.33 -0.53 0.00 0.00 176.83 176.15 2ux1 h GLU 96 N 0.45 0.27 0.00 2.24 5.08 -1.23 -3.29 114.58 118.11 2ux1 h GLU 96 Ca 0.10 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 2ux1 h GLU 96 Cb 0.49 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2ux1 h GLU 96 CO 0.02 0.82 -1.04 -0.91 -1.00 0.00 0.00 179.01 176.90 2ux1 h ASN 97 N 0.20 0.00 -3.98 1.42 2.35 -1.31 -3.47 115.58 110.79 2ux1 h ASN 97 Ca -0.01 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.23 2ux1 h ASN 97 Cb 1.16 0.00 0.06 0.00 0.05 0.00 0.00 38.32 39.59 2ux1 h ASN 97 CO 0.10 0.30 0.49 -0.55 -1.65 0.00 0.00 177.43 176.12 2ux1 s SER 98 N -5.73 6.32 0.11 5.81 0.15 -0.50 -4.89 113.70 114.98 2ux1 s SER 98 Ca -0.00 2.31 0.26 0.00 0.70 0.00 0.00 55.95 59.22 2ux1 s SER 98 Cb 0.09 -2.61 0.64 0.00 -1.71 0.00 0.00 66.02 62.43 2ux1 s SER 98 CO 0.78 -0.81 1.56 0.00 1.20 0.00 0.00 173.24 175.97 2ux1 n GLN 99 N -0.26 0.20 -2.54 5.44 1.13 -1.26 -4.89 117.38 115.20 2ux1 n GLN 99 Ca 0.06 0.10 -0.39 0.00 -1.94 0.00 0.00 57.00 54.84 2ux1 n GLN 99 Cb 0.47 -1.67 -0.04 0.00 0.11 0.00 0.00 30.24 29.11 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 -3.97 4.39 -0.13 1.08 1.43 -1.26 -5.04 118.68 115.17 2ux1 s LEU 100 Ca 0.09 2.13 -0.04 0.00 -1.03 0.00 0.00 54.13 55.29 2ux1 s LEU 100 Cb 0.14 -3.86 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 2ux1 s LEU 100 CO 0.65 -0.25 -0.01 -0.54 0.23 0.00 0.00 176.35 176.44 2ux1 s LYS 101 N -1.85 3.48 0.12 1.70 1.02 -1.26 -5.07 119.74 117.87 2ux1 s LYS 101 Ca 0.50 -0.45 -0.03 0.00 0.02 0.00 0.00 55.97 56.01 2ux1 s LYS 101 Cb -0.27 -2.92 -0.05 0.00 -0.52 0.00 0.00 37.83 34.07 2ux1 s LYS 101 CO 0.34 0.41 0.32 -1.21 -0.92 0.00 0.00 175.35 174.30 2ux1 s GLU 102 N -0.08 3.55 0.12 1.68 2.02 -1.26 -5.10 118.70 119.63 2ux1 s GLU 102 Ca 0.03 -0.24 0.07 0.00 0.02 0.00 0.00 54.97 54.85 2ux1 s GLU 102 Cb -0.13 -2.91 -0.04 0.00 0.10 0.00 0.00 34.13 31.16 2ux1 s GLU 102 CO 0.02 0.51 -0.16 0.14 0.02 0.00 0.00 175.26 175.79 2ux1 s VAL 103 N -1.64 1.47 0.56 2.63 -7.23 -1.26 -5.13 120.40 109.80 2ux1 s VAL 103 Ca 0.39 -1.67 -0.21 0.00 -1.81 0.00 0.00 61.98 58.68 2ux1 s VAL 103 Cb -0.12 -1.54 -0.05 0.00 0.56 0.00 0.00 36.38 35.23 2ux1 s VAL 103 CO 0.26 -0.31 1.24 0.18 -0.31 0.00 0.00 175.10 176.17 2ux1 n LEU 104 N 0.68 4.96 -4.77 1.32 4.77 -1.26 -4.94 117.00 117.77 2ux1 n LEU 104 Ca -0.16 0.93 -0.40 0.00 -0.03 0.00 0.00 56.01 56.35 2ux1 n LEU 104 Cb 0.56 -1.52 -0.02 0.00 -2.33 0.00 0.00 43.42 40.11 2ux1 n LEU 104 CO 0.26 -0.96 0.93 -0.83 -1.33 0.00 0.00 177.39 175.46 2ux1 s GLY 105 N -1.01 2.98 -0.17 -0.72 0.00 -1.26 -5.03 107.32 102.11 2ux1 s GLY 105 Ca 0.73 1.17 -0.05 0.00 0.00 0.00 0.00 44.72 46.57 2ux1 s GLY 105 CO 0.48 1.78 0.30 -0.35 0.00 0.00 0.00 173.10 175.32 2ux1 s ASP 106 N -0.67 0.36 0.12 1.64 -1.08 -1.26 -5.04 116.67 110.75 2ux1 s ASP 106 Ca 0.51 0.51 0.21 0.00 -0.52 0.00 0.00 52.55 53.25 2ux1 s ASP 106 Cb -0.37 0.84 0.85 0.00 -1.46 0.00 0.00 42.92 42.77 2ux1 s ASP 106 CO 0.49 -0.26 1.64 -1.22 0.52 0.00 0.00 175.17 176.34 2ux1 n TYR 107 N 5.36 0.41 1.32 -5.34 4.01 -1.26 -3.37 117.16 118.28 2ux1 n TYR 107 Ca -0.06 0.15 0.12 0.00 -0.16 0.00 0.00 57.90 57.95 2ux1 n TYR 107 Cb 0.50 -0.75 0.43 0.00 -0.31 0.00 0.00 39.34 39.21 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 -1.87 1.62 -4.76 7.72 4.13 -1.26 -4.53 115.26 116.32 2ux1 n ASN 108 Ca 0.04 -1.63 -0.41 0.00 1.68 0.00 0.00 54.58 54.26 2ux1 n ASN 108 Cb 0.24 -0.07 -0.03 0.00 -1.54 0.00 0.00 39.78 38.38 2ux1 n ASN 108 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2ux1 s VAL 109 N -1.87 3.20 0.68 2.41 1.01 -1.22 -5.02 120.40 119.60 2ux1 s VAL 109 Ca 0.34 1.14 -0.11 0.00 0.00 0.00 0.00 61.98 63.35 2ux1 s VAL 109 Cb 0.19 -3.73 -0.00 0.00 0.00 0.00 0.00 36.38 32.84 2ux1 s VAL 109 CO 0.29 0.24 1.08 0.42 0.00 0.00 0.00 175.10 177.13 2ux1 s THR 110 N -0.80 3.87 0.11 3.92 -4.23 -1.26 -4.56 115.64 112.69 2ux1 s THR 110 Ca 0.49 0.61 -0.30 0.00 -1.18 0.00 0.00 61.69 61.31 2ux1 s THR 110 Cb -0.35 -3.58 -0.09 0.00 1.34 0.00 0.00 72.50 69.82 2ux1 s THR 110 CO 0.44 -0.79 1.60 0.40 -0.54 0.00 0.00 174.62 175.73 2ux1 h ILE 111 N -0.57 0.23 -0.86 2.99 1.08 -1.91 0.21 117.51 118.67 2ux1 h ILE 111 Ca -0.45 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 64.25 2ux1 h ILE 111 Cb 1.23 0.23 -0.14 0.00 -3.07 0.00 0.00 36.82 35.07 2ux1 h ILE 111 CO 0.63 0.00 0.19 -0.33 -0.69 0.00 0.00 178.15 177.95 2ux1 h GLU 112 N -0.61 0.18 -0.30 2.37 3.07 -1.93 0.72 114.58 118.07 2ux1 h GLU 112 Ca 0.02 -0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 58.76 2ux1 h GLU 112 Cb 0.64 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.50 2ux1 h GLU 112 CO -0.21 0.12 -0.28 0.93 -1.40 0.00 0.00 179.01 178.16 2ux1 h GLU 113 N 0.18 0.62 -0.39 2.33 5.08 -1.71 -0.67 114.58 120.02 2ux1 h GLU 113 Ca 0.53 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.54 2ux1 h GLU 113 Cb 1.06 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 2ux1 h GLU 113 CO -0.67 0.83 -0.11 1.96 -1.00 0.00 0.00 179.01 180.03 2ux1 h GLN 114 N 0.53 0.77 -0.25 2.33 1.08 0.11 -0.59 115.11 119.09 2ux1 h GLN 114 Ca 0.07 -0.30 -0.14 0.00 -1.45 0.00 0.00 58.65 56.83 2ux1 h GLN 114 Cb 0.76 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.14 2ux1 h GLN 114 CO 0.06 0.91 -0.42 -0.07 -0.95 0.00 0.00 178.83 178.35 2ux1 h LEU 115 N 0.58 0.66 -1.42 1.46 3.38 -0.92 -2.17 115.31 116.88 2ux1 h LEU 115 Ca 0.10 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.77 2ux1 h LEU 115 Cb 0.63 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2ux1 h LEU 115 CO 0.04 1.00 0.39 0.00 0.09 0.00 0.00 178.44 179.96 2ux1 h ALA 116 N 1.03 1.58 -0.37 1.53 0.00 -0.87 -1.23 119.26 120.93 2ux1 h ALA 116 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2ux1 h ALA 116 Cb 0.95 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2ux1 h ALA 116 CO 0.09 0.39 0.19 -0.09 0.00 0.00 0.00 179.25 179.83 2ux1 h ARG 117 N 0.80 0.53 -0.54 0.00 9.65 -0.51 -1.57 114.38 122.75 2ux1 h ARG 117 Ca 0.22 -0.07 -0.05 0.00 -1.10 0.00 0.00 59.98 58.98 2ux1 h ARG 117 Cb -0.09 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.37 2ux1 h ARG 117 CO -0.05 0.46 0.16 0.28 2.80 0.00 0.00 179.97 183.62 2ux1 h VAL 118 N 0.47 1.24 -0.19 0.20 2.07 -1.10 -1.36 116.25 117.57 2ux1 h VAL 118 Ca 0.13 -0.81 0.05 0.00 0.82 0.00 0.00 66.70 66.89 2ux1 h VAL 118 Cb 0.10 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 2ux1 h VAL 118 CO -0.02 0.30 -0.15 0.58 0.02 0.00 0.00 177.57 178.30 2ux1 h VAL 119 N 0.75 0.57 -0.64 2.57 2.07 -1.14 0.15 116.25 120.58 2ux1 h VAL 119 Ca 0.17 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.79 2ux1 h VAL 119 Cb 0.29 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 30.56 2ux1 h VAL 119 CO -0.00 0.00 0.26 -0.33 0.02 0.00 0.00 177.57 177.51 2ux1 h GLU 120 N -0.16 0.43 -0.44 1.57 5.08 -0.87 0.24 114.58 120.43 2ux1 h GLU 120 Ca 0.12 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 2ux1 h GLU 120 Cb 0.34 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2ux1 h GLU 120 CO -0.29 0.29 -0.09 0.28 -1.00 0.00 0.00 179.01 178.19 2ux1 h VAL 121 N 0.45 1.27 -0.58 3.13 2.07 -0.74 -2.10 116.25 119.75 2ux1 h VAL 121 Ca 0.32 -1.20 -0.10 0.00 0.82 0.00 0.00 66.70 66.54 2ux1 h VAL 121 Cb 0.39 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2ux1 h VAL 121 CO -0.30 0.41 -0.04 -0.26 0.02 0.00 0.00 177.57 177.40 2ux1 h PHE 122 N 0.68 1.15 -0.69 1.57 -1.00 -0.07 -0.30 116.94 118.29 2ux1 h PHE 122 Ca 0.11 -0.21 -0.01 0.00 2.81 0.00 0.00 57.97 60.68 2ux1 h PHE 122 Cb 0.63 -0.30 -0.03 0.00 3.61 0.00 0.00 35.95 39.86 2ux1 h PHE 122 CO 0.05 1.03 0.40 0.00 -1.61 0.00 0.00 178.31 178.19 2ux1 h ARG 123 N 0.95 0.94 -0.40 1.51 3.08 -0.46 0.31 114.38 120.31 2ux1 h ARG 123 Ca 0.16 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 2ux1 h ARG 123 Cb 0.60 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 2ux1 h ARG 123 CO 0.04 0.67 0.24 -0.92 -1.07 0.00 0.00 179.97 178.93 2ux1 h TYR 124 N 0.93 0.53 -0.52 3.04 3.20 -1.12 -1.60 116.97 121.44 2ux1 h TYR 124 Ca 0.24 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.07 2ux1 h TYR 124 Cb -0.01 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 2ux1 h TYR 124 CO -0.01 0.38 0.16 -0.07 -1.64 0.00 0.00 178.16 176.97 2ux1 h LEU 125 N 0.52 0.75 -1.14 2.82 3.38 -0.65 0.67 115.31 121.67 2ux1 h LEU 125 Ca 0.14 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.91 2ux1 h LEU 125 Cb 0.01 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 2ux1 h LEU 125 CO -0.03 0.76 0.58 0.00 0.09 0.00 0.00 178.44 179.85 2ux1 h ALA 126 N 1.02 1.38 -0.24 1.53 0.00 -0.23 0.01 119.26 122.73 2ux1 h ALA 126 Ca 0.17 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 2ux1 h ALA 126 Cb 0.28 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2ux1 h ALA 126 CO -0.00 0.57 -0.49 0.00 0.00 0.00 0.00 179.25 179.32 2ux1 h ALA 127 N 1.46 0.68 -0.71 0.00 0.00 -0.92 -1.77 119.26 118.00 2ux1 h ALA 127 Ca 0.32 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2ux1 h ALA 127 Cb -0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2ux1 h ALA 127 CO -0.07 0.68 0.33 1.25 0.00 0.00 0.00 179.25 181.44 2ux1 h LEU 128 N 0.52 0.93 -1.02 0.00 5.85 -0.43 -2.18 115.31 118.97 2ux1 h LEU 128 Ca 0.02 -0.14 -0.10 0.00 0.84 0.00 0.00 57.88 58.51 2ux1 h LEU 128 Cb 1.04 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 2ux1 h LEU 128 CO 0.10 0.80 -0.43 -0.26 -0.34 0.00 0.00 178.44 178.31 2ux1 h PHE 129 N 0.99 0.15 -0.35 1.25 0.04 -0.86 0.14 116.94 118.30 2ux1 h PHE 129 Ca 0.24 -0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.93 2ux1 h PHE 129 Cb 0.13 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 2ux1 h PHE 129 CO 0.01 0.54 0.05 0.37 -0.60 0.00 0.00 178.31 178.67 2ux1 h GLN 130 N 0.11 0.58 -0.26 1.51 5.75 -1.17 0.17 115.11 121.80 2ux1 h GLN 130 Ca 0.01 -0.16 0.03 0.00 -0.15 0.00 0.00 58.65 58.38 2ux1 h GLN 130 Cb 0.80 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.26 2ux1 h GLN 130 CO 0.06 0.66 0.07 0.87 -2.65 0.00 0.00 178.83 177.84 2ux1 h LYS 131 N 0.41 0.17 -0.72 1.69 6.56 -0.92 0.11 116.57 123.89 2ux1 h LYS 131 Ca 0.10 -0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 59.65 2ux1 h LYS 131 Cb 0.37 -0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 31.96 2ux1 h LYS 131 CO 0.01 0.11 0.30 0.78 -2.06 0.00 0.00 179.45 178.59 2ux1 h GLY 132 N 0.18 1.12 0.91 3.86 0.00 -0.59 0.81 103.07 109.36 2ux1 h GLY 132 Ca 0.12 -0.58 0.02 0.00 0.00 0.00 0.00 47.33 46.88 2ux1 h GLY 132 CO -0.14 0.55 0.21 -2.75 0.00 0.00 0.00 176.54 174.40 2ux1 h PHE 133 N 1.03 0.39 -0.12 5.60 3.57 -0.25 -1.64 116.94 125.51 2ux1 h PHE 133 Ca 0.24 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.73 2ux1 h PHE 133 Cb 0.17 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 2ux1 h PHE 133 CO 0.02 0.23 -0.01 -0.44 -2.23 0.00 0.00 178.31 175.88 2ux1 h ASP 134 N 0.42 0.21 -0.71 0.41 3.32 0.11 -2.24 116.42 117.95 2ux1 h ASP 134 Ca 0.14 -0.32 -0.06 0.00 0.02 0.00 0.00 57.03 56.81 2ux1 h ASP 134 Cb 0.01 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 2ux1 h ASP 134 CO -0.07 0.48 0.20 0.58 -1.72 0.00 0.00 179.24 178.72 2ux1 h VAL 135 N -0.06 1.26 -0.16 -1.35 2.07 -0.86 -0.85 116.25 116.30 2ux1 h VAL 135 Ca 0.03 -0.93 -0.19 0.00 0.82 0.00 0.00 66.70 66.44 2ux1 h VAL 135 Cb 0.38 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2ux1 h VAL 135 CO 0.01 0.36 -0.67 0.77 0.02 0.00 0.00 177.57 178.06 2ux1 h SER 136 N 1.07 0.71 -0.16 0.57 4.64 -1.30 -1.71 113.55 117.38 2ux1 h SER 136 Ca 0.23 -0.43 -0.01 0.00 -0.47 0.00 0.00 61.79 61.11 2ux1 h SER 136 Cb 0.33 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 2ux1 h SER 136 CO -0.00 1.19 0.07 -0.78 -0.87 0.00 0.00 176.83 176.44 2ux1 h ASP 137 N 0.44 0.21 -0.72 4.97 1.82 -1.22 0.20 116.42 122.12 2ux1 h ASP 137 Ca -0.02 -0.13 0.09 0.00 -0.39 0.00 0.00 57.03 56.57 2ux1 h ASP 137 Cb 1.25 -0.05 -0.05 0.00 0.68 0.00 0.00 39.33 41.16 2ux1 h ASP 137 CO 0.13 0.28 0.47 -0.33 -1.61 0.00 0.00 179.24 178.19 2ux1 h GLU 138 N 0.12 0.63 -0.01 0.28 5.08 -1.00 -1.62 114.58 118.06 2ux1 h GLU 138 Ca 0.05 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2ux1 h GLU 138 Cb 0.13 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2ux1 h GLU 138 CO -0.01 0.42 -0.14 0.39 -1.00 0.00 0.00 179.01 178.67 2ux1 n GLU 139 N -4.49 1.33 -1.52 2.33 1.02 -0.66 -4.95 120.64 113.70 2ux1 n GLU 139 Ca 0.11 -0.85 -0.04 0.00 -0.02 0.00 0.00 57.16 56.37 2ux1 n GLU 139 Cb 0.31 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.23 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 1.28 0.48 3.41 0.62 0.00 -0.33 -4.94 105.19 105.70 2ux1 n GLY 140 Ca 0.15 -0.82 -0.45 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.90 7.10 0.40 1.61 -1.08 0.57 -4.88 116.67 117.50 2ux1 s ASP 141 Ca 0.00 -3.10 0.20 0.00 -0.52 0.00 0.00 52.55 49.13 2ux1 s ASP 141 Cb 0.00 -2.32 0.80 0.00 -1.46 0.00 0.00 42.92 39.94 2ux1 s ASP 141 CO 0.00 -0.60 1.79 0.77 0.52 0.00 0.00 175.17 177.64 2ux1 h SER 142 N 7.17 0.00 0.13 -0.34 4.64 -1.94 -1.19 113.55 122.03 2ux1 h SER 142 Ca 0.24 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.55 2ux1 h SER 142 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2ux1 h SER 142 CO 1.12 0.32 -0.06 0.58 -0.87 0.00 0.00 176.83 177.92 2ux1 h VAL 143 N 0.00 1.02 -0.75 0.95 2.07 -1.96 -2.09 116.25 115.49 2ux1 h VAL 143 Ca -0.00 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.76 2ux1 h VAL 143 Cb 0.80 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 32.02 2ux1 h VAL 143 CO 0.04 0.18 0.48 0.74 0.02 0.00 0.00 177.57 179.03 2ux1 h THR 144 N -0.55 1.20 -0.46 2.57 2.02 -1.93 -2.37 112.91 113.40 2ux1 h THR 144 Ca -0.02 -0.40 0.08 0.00 0.77 0.00 0.00 66.41 66.84 2ux1 h THR 144 Cb 0.43 0.12 -0.07 0.00 -1.74 0.00 0.00 68.15 66.89 2ux1 h THR 144 CO 0.03 0.20 0.05 -1.13 0.37 0.00 0.00 175.52 175.04 2ux1 h ASN 145 N 1.02 -0.09 -0.83 4.18 -0.73 -1.23 -1.99 115.58 115.92 2ux1 h ASN 145 Ca 0.27 0.09 0.02 0.00 1.87 0.00 0.00 56.30 58.56 2ux1 h ASN 145 Cb -0.08 0.15 -0.05 0.00 0.27 0.00 0.00 38.32 38.61 2ux1 h ASN 145 CO -0.06 -0.01 0.54 -0.78 -0.37 0.00 0.00 177.43 176.75 2ux1 h ASP 146 N 0.17 0.90 -0.60 1.15 3.58 -0.92 -1.90 116.42 118.79 2ux1 h ASP 146 Ca 0.23 -0.01 0.06 0.00 0.42 0.00 0.00 57.03 57.72 2ux1 h ASP 146 Cb 0.31 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.10 2ux1 h ASP 146 CO -0.33 0.63 0.32 0.40 -2.88 0.00 0.00 179.24 177.38 2ux1 h ILE 147 N 1.06 0.95 -0.17 2.25 2.04 -0.89 -1.24 117.51 121.51 2ux1 h ILE 147 Ca 0.32 -0.20 -0.19 0.00 1.00 0.00 0.00 64.86 65.79 2ux1 h ILE 147 Cb -0.04 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 2ux1 h ILE 147 CO -0.10 0.11 -0.65 -0.26 0.00 0.00 0.00 178.15 177.25 2ux1 h PHE 148 N 0.60 0.83 -0.41 1.37 0.04 -1.16 -2.68 116.94 115.53 2ux1 h PHE 148 Ca 0.27 -0.33 -0.01 0.00 2.80 0.00 0.00 57.97 60.70 2ux1 h PHE 148 Cb 0.18 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 2ux1 h PHE 148 CO -0.09 1.11 0.20 -0.97 -0.60 0.00 0.00 178.31 177.96 2ux1 h ASN 149 N 0.46 0.53 -0.26 2.17 -1.24 -0.81 -0.35 115.58 116.08 2ux1 h ASN 149 Ca -0.02 -0.12 -0.01 0.00 0.71 0.00 0.00 56.30 56.87 2ux1 h ASN 149 Cb 1.24 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 40.14 2ux1 h ASN 149 CO 0.13 0.50 0.13 0.58 -1.29 0.00 0.00 177.43 177.48 2ux1 h VAL 150 N 0.52 1.14 -0.29 2.57 2.07 -1.26 -0.72 116.25 120.28 2ux1 h VAL 150 Ca 0.14 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 2ux1 h VAL 150 Cb 0.10 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2ux1 h VAL 150 CO -0.02 0.14 0.11 0.00 0.02 0.00 0.00 177.57 177.82 2ux1 h ALA 151 N 1.00 0.38 -0.54 1.67 0.00 -1.33 -2.85 119.26 117.58 2ux1 h ALA 151 Ca 0.09 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2ux1 h ALA 151 Cb 0.10 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 2ux1 h ALA 151 CO -0.01 -0.02 0.27 -0.22 0.00 0.00 0.00 179.25 179.27 2ux1 h LYS 152 N 0.32 0.51 -0.80 0.00 3.64 -0.94 -0.94 116.57 118.35 2ux1 h LYS 152 Ca 0.10 -0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.61 2ux1 h LYS 152 Cb 0.19 -0.11 -0.10 0.00 -0.41 0.00 0.00 32.23 31.79 2ux1 h LYS 152 CO -0.01 0.33 0.33 0.00 -2.27 0.00 0.00 179.45 177.83 2ux1 h ALA 153 N 1.30 1.17 0.13 5.00 0.00 -0.91 -1.62 119.26 124.33 2ux1 h ALA 153 Ca 0.24 0.13 -0.20 0.00 0.00 0.00 0.00 54.91 55.08 2ux1 h ALA 153 Cb 0.16 0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.08 2ux1 h ALA 153 CO -0.18 -0.24 -0.87 1.03 0.00 0.00 0.00 179.25 179.00 2ux1 h SER 154 N 0.44 0.53 -0.63 0.00 0.87 -1.22 -2.49 113.55 111.06 2ux1 h SER 154 Ca 0.46 -0.92 0.03 0.00 -1.23 0.00 0.00 61.79 60.13 2ux1 h SER 154 Cb 0.74 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.49 2ux1 h SER 154 CO -0.44 1.41 0.39 0.40 -0.53 0.00 0.00 176.83 178.05 2ux1 h ILE 155 N -0.26 1.08 -0.71 2.23 1.08 -1.10 -1.63 117.51 118.19 2ux1 h ILE 155 Ca -0.15 -0.26 -0.05 0.00 -0.39 0.00 0.00 64.86 64.01 2ux1 h ILE 155 Cb 1.66 0.25 -0.03 0.00 -3.07 0.00 0.00 36.82 35.63 2ux1 h ILE 155 CO 0.16 0.14 0.24 -0.33 -0.69 0.00 0.00 178.15 177.67 2ux1 h GLU 156 N 0.76 1.09 -0.88 2.37 5.08 -1.34 -1.17 114.58 120.49 2ux1 h GLU 156 Ca 0.25 -0.21 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 2ux1 h GLU 156 Cb 0.02 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.05 2ux1 h GLU 156 CO -0.10 0.91 0.58 -0.22 -1.00 0.00 0.00 179.01 179.18 2ux1 h LYS 157 N 1.05 1.04 -0.49 2.33 3.64 -1.03 -2.24 116.57 120.86 2ux1 h LYS 157 Ca 0.23 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.43 2ux1 h LYS 157 Cb 0.27 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2ux1 h LYS 157 CO -0.01 0.69 -0.18 0.45 -2.27 0.00 0.00 179.45 178.13 2ux1 h HIS 158 N 1.07 1.11 -0.49 1.91 3.86 -0.49 -2.44 115.15 119.68 2ux1 h HIS 158 Ca 0.36 -0.25 0.01 0.00 -1.16 0.00 0.00 60.37 59.33 2ux1 h HIS 158 Cb 0.08 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.26 2ux1 h HIS 158 CO -0.00 1.07 0.32 0.82 0.86 0.00 0.00 177.93 180.99 2ux1 h ILE 159 N 0.86 1.11 -0.40 2.45 2.04 -0.99 0.15 117.51 122.72 2ux1 h ILE 159 Ca 0.12 -0.22 0.07 0.00 1.00 0.00 0.00 64.86 65.83 2ux1 h ILE 159 Cb 0.74 0.40 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 2ux1 h ILE 159 CO 0.06 0.12 0.02 -0.25 0.00 0.00 0.00 178.15 178.09 2ux1 h TRP 160 N 0.65 0.01 -0.34 1.37 7.01 -1.20 0.58 115.95 124.02 2ux1 h TRP 160 Ca 0.19 0.03 -0.14 0.00 2.11 0.00 0.00 58.89 61.07 2ux1 h TRP 160 Cb -0.05 0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 27.06 2ux1 h TRP 160 CO -0.05 -0.06 -0.35 0.52 -2.79 0.00 0.00 178.44 175.71 2ux1 h MET 161 N 0.12 0.83 -0.39 2.65 2.86 -0.92 0.50 114.93 120.58 2ux1 h MET 161 Ca 0.20 -0.44 -0.02 0.00 -2.06 0.00 0.00 59.70 57.37 2ux1 h MET 161 Cb 0.27 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 2ux1 h MET 161 CO -0.31 1.08 0.16 -0.07 1.06 0.00 0.00 176.91 178.83 2ux1 h LEU 162 N 0.61 0.53 -0.65 1.22 3.38 -0.56 -1.45 115.31 118.39 2ux1 h LEU 162 Ca 0.05 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 2ux1 h LEU 162 Cb 0.93 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 2ux1 h LEU 162 CO 0.09 0.55 0.11 1.56 0.09 0.00 0.00 178.44 180.84 2ux1 h GLN 163 N 0.48 1.07 -0.60 1.13 1.08 -0.78 -1.68 115.11 115.82 2ux1 h GLN 163 Ca 0.13 -0.28 0.04 0.00 -1.45 0.00 0.00 58.65 57.09 2ux1 h GLN 163 Cb 0.18 -0.13 -0.05 0.00 -0.05 0.00 0.00 27.48 27.43 2ux1 h GLN 163 CO -0.01 0.99 0.33 0.00 -0.95 0.00 0.00 178.83 179.19 2ux1 h ALA 164 N 1.04 0.78 -0.87 3.87 0.00 -0.68 0.63 119.26 124.04 2ux1 h ALA 164 Ca 0.20 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2ux1 h ALA 164 Cb 0.43 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2ux1 h ALA 164 CO 0.01 0.02 0.57 1.49 0.00 0.00 0.00 179.25 181.35 2ux1 h GLU 165 N 0.64 1.11 0.00 0.00 4.57 -0.87 0.15 114.58 120.18 2ux1 h GLU 165 Ca 0.26 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 2ux1 h GLU 165 Cb 0.12 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 2ux1 h GLU 165 CO -0.15 0.74 0.00 1.28 -1.18 0.00 0.00 179.01 179.70 2ux1 n LEU 166 N -4.42 0.00 -0.81 1.64 4.77 -0.48 -4.89 117.00 112.82 2ux1 n LEU 166 Ca 0.10 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.00 2ux1 n LEU 166 Cb 0.05 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 2ux1 n LEU 166 CO 0.36 0.00 -0.10 0.61 -1.33 0.00 0.00 177.39 176.94 2ux1 n GLY 167 N 0.62 0.61 3.39 -0.72 0.00 0.04 -5.02 105.19 104.11 2ux1 n GLY 167 Ca 0.09 -0.59 -0.20 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 -3.45 1.44 0.73 1.61 -0.21 0.09 -4.99 119.66 114.87 2ux1 s GLN 168 Ca 0.00 -1.66 -0.11 0.00 0.02 0.00 0.00 55.36 53.61 2ux1 s GLN 168 Cb 0.00 -1.27 0.03 0.00 1.00 0.00 0.00 33.01 32.77 2ux1 s GLN 168 CO 0.00 0.19 1.07 0.00 -2.12 0.00 0.00 175.29 174.44 2ux1 s ALA 169 N -2.88 2.50 0.36 6.09 0.00 -1.26 -3.30 121.76 123.26 2ux1 s ALA 169 Ca 0.25 0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.39 2ux1 s ALA 169 Cb -0.01 -3.21 0.68 0.00 0.00 0.00 0.00 23.12 20.58 2ux1 s ALA 169 CO 0.09 -1.45 1.96 -1.35 0.00 0.00 0.00 175.76 175.01 2ux1 h PRO 170 N -0.89 0.62 -6.19 0.00 0.11 -1.88 -3.46 132.00 120.31 2ux1 h PRO 170 Ca -0.44 -0.08 -0.45 0.00 0.11 0.00 0.00 66.00 65.15 2ux1 h PRO 170 Cb 1.22 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 32.23 2ux1 h PRO 170 CO 0.55 0.50 -0.80 1.63 -0.21 0.00 0.00 178.00 179.67 2ux1 n LYS 171 N -4.38 -5.15 0.00 1.05 5.02 -1.26 -4.88 118.16 108.56 2ux1 n LYS 171 Ca 0.03 0.61 0.04 0.00 -2.02 0.00 0.00 58.31 56.96 2ux1 n LYS 171 Cb 0.14 -5.29 0.22 0.00 -0.02 0.00 0.00 35.03 30.08 2ux1 n LYS 171 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16