#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 1.58 -0.02 -1.18 0.00 -2.01 -0.39 119.26 117.25 2ux1 h ALA 23 Ca 0.00 0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.73 2ux1 h ALA 23 Cb 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 17.68 2ux1 h ALA 23 CO 0.00 0.05 -0.91 -0.44 0.00 0.00 0.00 179.25 177.96 2ux1 h ASP 24 N 0.84 0.84 0.04 0.00 5.19 -1.98 -0.84 116.42 120.51 2ux1 h ASP 24 Ca 0.54 -0.72 0.01 0.00 -0.62 0.00 0.00 57.03 56.24 2ux1 h ASP 24 Cb 0.73 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.97 2ux1 h ASP 24 CO -0.34 1.45 -0.09 0.28 -3.12 0.00 0.00 179.24 177.43 2ux1 h SER 25 N 0.31 -0.24 -0.49 6.45 0.02 -1.73 -0.90 113.55 116.97 2ux1 h SER 25 Ca -0.11 0.03 0.08 0.00 -0.84 0.00 0.00 61.79 60.96 2ux1 h SER 25 Cb 1.57 0.09 -0.07 0.00 0.14 0.00 0.00 62.40 64.13 2ux1 h SER 25 CO 0.18 -0.13 0.11 0.11 -1.14 0.00 0.00 176.83 175.96 2ux1 h LYS 26 N -0.17 0.24 -0.77 3.45 1.57 -1.12 -1.21 116.57 118.57 2ux1 h LYS 26 Ca 0.02 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2ux1 h LYS 26 Cb 0.19 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 2ux1 h LYS 26 CO -0.06 0.16 0.39 0.00 -0.57 0.00 0.00 179.45 179.37 2ux1 h ALA 27 N 1.37 0.99 -0.20 3.86 0.00 -0.89 -1.07 119.26 123.33 2ux1 h ALA 27 Ca 0.24 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 2ux1 h ALA 27 Cb 0.32 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2ux1 h ALA 27 CO -0.31 0.54 -0.63 -0.24 0.00 0.00 0.00 179.25 178.62 2ux1 h VAL 28 N 1.08 1.30 -0.76 0.00 3.04 -0.96 -0.92 116.25 119.03 2ux1 h VAL 28 Ca 0.27 -1.86 0.07 0.00 -1.01 0.00 0.00 66.70 64.16 2ux1 h VAL 28 Cb 0.09 1.82 -0.06 0.00 -2.01 0.00 0.00 31.29 31.13 2ux1 h VAL 28 CO -0.04 0.59 0.44 -0.07 -1.01 0.00 0.00 177.57 177.48 2ux1 h LEU 29 N 0.51 0.66 -0.50 3.16 3.38 -0.94 0.26 115.31 121.85 2ux1 h LEU 29 Ca -0.01 0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 2ux1 h LEU 29 Cb 1.22 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2ux1 h LEU 29 CO 0.13 0.41 -0.54 -1.13 0.09 0.00 0.00 178.44 177.40 2ux1 h ASN 30 N 0.79 0.67 -0.71 -0.43 -0.73 -1.04 -1.87 115.58 112.25 2ux1 h ASN 30 Ca 0.35 -0.35 0.01 0.00 1.87 0.00 0.00 56.30 58.17 2ux1 h ASN 30 Cb 0.23 -0.19 -0.04 0.00 0.27 0.00 0.00 38.32 38.59 2ux1 h ASN 30 CO -0.20 1.07 0.47 -0.61 -0.37 0.00 0.00 177.43 177.80 2ux1 h GLN 31 N 0.47 0.93 -0.66 6.67 5.75 -0.66 -2.29 115.11 125.32 2ux1 h GLN 31 Ca 0.01 -0.06 0.07 0.00 -0.15 0.00 0.00 58.65 58.52 2ux1 h GLN 31 Cb 1.08 -0.21 -0.06 0.00 1.07 0.00 0.00 27.48 29.37 2ux1 h GLN 31 CO 0.10 0.61 0.35 0.00 -2.65 0.00 0.00 178.83 177.25 2ux1 h ALA 32 N 1.27 0.88 -0.29 3.38 0.00 -0.69 -0.71 119.26 123.11 2ux1 h ALA 32 Ca 0.27 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.23 2ux1 h ALA 32 Cb -0.09 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2ux1 h ALA 32 CO -0.06 0.01 0.13 0.28 0.00 0.00 0.00 179.25 179.61 2ux1 h VAL 33 N 0.64 0.97 -0.13 0.00 2.07 -0.81 0.19 116.25 119.18 2ux1 h VAL 33 Ca 0.30 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.73 2ux1 h VAL 33 Cb 0.22 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 2ux1 h VAL 33 CO -0.20 0.05 0.08 0.00 0.02 0.00 0.00 177.57 177.52 2ux1 h ALA 34 N 1.16 0.16 -0.11 1.67 0.00 -1.11 -2.24 119.26 118.79 2ux1 h ALA 34 Ca 0.12 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 2ux1 h ALA 34 Cb 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2ux1 h ALA 34 CO -0.10 -0.35 -0.62 -0.44 0.00 0.00 0.00 179.25 177.74 2ux1 h ASP 35 N 0.16 0.43 0.36 0.00 3.32 -0.87 -1.94 116.42 117.87 2ux1 h ASP 35 Ca 0.05 -0.25 -0.14 0.00 0.02 0.00 0.00 57.03 56.71 2ux1 h ASP 35 Cb -0.01 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2ux1 h ASP 35 CO -0.01 0.94 -0.56 -0.07 -1.72 0.00 0.00 179.24 177.82 2ux1 h LEU 36 N 0.28 0.24 -0.68 1.55 3.38 -0.63 0.23 115.31 119.68 2ux1 h LEU 36 Ca -0.01 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 2ux1 h LEU 36 Cb 1.15 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 2ux1 h LEU 36 CO 0.10 0.75 0.12 0.28 0.09 0.00 0.00 178.44 179.79 2ux1 h SER 37 N 0.17 1.08 -0.09 -0.43 0.02 -1.15 -0.28 113.55 112.87 2ux1 h SER 37 Ca -0.00 -0.26 -0.23 0.00 -0.84 0.00 0.00 61.79 60.46 2ux1 h SER 37 Cb 1.04 -0.29 0.01 0.00 0.14 0.00 0.00 62.40 63.31 2ux1 h SER 37 CO 0.09 1.06 -0.82 0.58 -1.14 0.00 0.00 176.83 176.60 2ux1 h VAL 38 N 1.05 1.29 -0.95 2.27 2.07 -1.03 -2.86 116.25 118.09 2ux1 h VAL 38 Ca 0.21 -2.03 0.01 0.00 0.82 0.00 0.00 66.70 65.70 2ux1 h VAL 38 Cb 0.44 2.06 -0.05 0.00 -1.52 0.00 0.00 31.29 32.22 2ux1 h VAL 38 CO 0.01 0.64 0.62 0.00 0.02 0.00 0.00 177.57 178.86 2ux1 h ALA 39 N 0.56 1.21 -0.08 1.67 0.00 -0.33 -1.07 119.26 121.23 2ux1 h ALA 39 Ca -0.06 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2ux1 h ALA 39 Cb 1.45 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2ux1 h ALA 39 CO 0.17 0.62 -0.03 1.25 0.00 0.00 0.00 179.25 181.25 2ux1 h HIS 40 N 1.29 -0.07 -0.54 0.00 6.17 -1.00 -0.51 115.15 120.50 2ux1 h HIS 40 Ca 0.35 0.01 0.05 0.00 0.71 0.00 0.00 60.37 61.48 2ux1 h HIS 40 Cb -0.13 0.04 -0.05 0.00 2.52 0.00 0.00 27.41 29.79 2ux1 h HIS 40 CO -0.00 -0.05 0.28 1.03 0.71 0.00 0.00 177.93 179.89 2ux1 h SER 41 N -0.02 0.39 -0.07 3.26 0.87 -1.12 0.50 113.55 117.37 2ux1 h SER 41 Ca 0.04 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2ux1 h SER 41 Cb 0.08 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2ux1 h SER 41 CO -0.09 0.27 0.05 0.40 -0.53 0.00 0.00 176.83 176.92 2ux1 h ILE 42 N 0.53 1.03 -0.49 2.23 2.04 -0.97 -0.53 117.51 121.36 2ux1 h ILE 42 Ca 0.24 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 66.06 2ux1 h ILE 42 Cb 0.16 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 2ux1 h ILE 42 CO -0.17 0.03 0.32 -0.07 0.00 0.00 0.00 178.15 178.26 2ux1 h LEU 43 N 0.08 0.43 -0.28 1.44 3.38 -0.56 -0.68 115.31 119.12 2ux1 h LEU 43 Ca 0.03 -0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.79 2ux1 h LEU 43 Cb 0.01 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2ux1 h LEU 43 CO -0.01 0.29 -0.70 -0.74 0.09 0.00 0.00 178.44 177.38 2ux1 h HIS 44 N 0.50 0.93 -0.89 1.13 2.76 -0.46 -1.24 115.15 117.88 2ux1 h HIS 44 Ca 0.20 -0.39 0.04 0.00 -2.20 0.00 0.00 60.37 58.02 2ux1 h HIS 44 Cb 0.18 -0.15 -0.05 0.00 1.55 0.00 0.00 27.41 28.93 2ux1 h HIS 44 CO -0.00 1.19 0.57 0.37 -1.30 0.00 0.00 177.93 178.76 2ux1 h GLN 45 N 0.50 1.07 -0.50 5.26 4.15 -0.34 -1.67 115.11 123.58 2ux1 h GLN 45 Ca -0.03 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.28 2ux1 h GLN 45 Cb 1.31 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 28.73 2ux1 h GLN 45 CO 0.14 0.71 0.14 0.28 -1.93 0.00 0.00 178.83 178.17 2ux1 h VAL 46 N 1.10 1.23 -0.66 2.39 2.07 -0.91 0.07 116.25 121.55 2ux1 h VAL 46 Ca 0.36 -0.80 0.12 0.00 0.82 0.00 0.00 66.70 67.20 2ux1 h VAL 46 Cb 0.03 0.81 -0.09 0.00 -1.52 0.00 0.00 31.29 30.52 2ux1 h VAL 46 CO -0.13 0.29 0.20 -0.74 0.02 0.00 0.00 177.57 177.22 2ux1 h HIS 47 N 0.68 0.33 0.20 1.57 -0.00 -0.82 -2.49 115.15 114.62 2ux1 h HIS 47 Ca 0.16 0.04 -0.34 0.00 -0.00 0.00 0.00 60.37 60.23 2ux1 h HIS 47 Cb 0.30 -0.05 0.02 0.00 -0.00 0.00 0.00 27.41 27.68 2ux1 h HIS 47 CO 0.02 0.01 -1.62 -1.49 -0.00 0.00 0.00 177.93 174.86 2ux1 h TRP 48 N 0.34 0.76 -0.01 5.26 6.55 -0.90 -3.37 115.95 124.59 2ux1 h TRP 48 Ca 0.35 -0.56 0.00 0.00 0.95 0.00 0.00 58.89 59.64 2ux1 h TRP 48 Cb 0.52 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 28.79 2ux1 h TRP 48 CO -0.21 1.59 -0.31 0.66 -1.05 0.00 0.00 178.44 179.12 2ux1 n TYR 49 N -3.61 0.00 -1.77 0.49 4.01 -0.02 -4.95 117.16 111.30 2ux1 n TYR 49 Ca -0.20 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.12 2ux1 n TYR 49 Cb 1.08 -0.06 -0.01 0.00 -0.31 0.00 0.00 39.34 40.04 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 -2.43 4.11 -0.12 -0.72 1.75 -0.94 -4.45 119.30 116.51 2ux1 s MET 50 Ca 0.23 2.59 -0.08 0.00 -1.25 0.00 0.00 55.69 57.18 2ux1 s MET 50 Cb 0.19 -3.01 0.04 0.00 2.84 0.00 0.00 34.83 34.90 2ux1 s MET 50 CO 0.51 -0.62 0.30 1.03 -0.65 0.00 0.00 175.02 175.60 2ux1 s ARG 51 N -0.91 0.30 0.00 4.11 0.52 -1.26 -5.04 118.95 116.67 2ux1 s ARG 51 Ca 0.61 0.54 0.00 0.00 -0.52 0.00 0.00 55.73 56.36 2ux1 s ARG 51 Cb -0.48 0.01 0.00 0.00 0.52 0.00 0.00 34.95 35.00 2ux1 s ARG 51 CO 0.52 -0.11 0.00 0.41 0.02 0.00 0.00 175.30 176.13 2ux1 n GLY 52 N 3.73 1.90 3.71 -3.53 0.00 -1.26 -3.78 105.19 105.96 2ux1 n GLY 52 Ca -0.20 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.39 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 -1.47 4.19 0.00 1.61 1.81 -1.26 -1.93 118.95 121.90 2ux1 s ARG 53 Ca 0.00 2.42 0.00 0.00 -1.72 0.00 0.00 55.73 56.43 2ux1 s ARG 53 Cb 0.00 -3.31 0.00 0.00 -0.45 0.00 0.00 34.95 31.19 2ux1 s ARG 53 CO 0.00 -0.69 0.00 0.41 -0.68 0.00 0.00 175.30 174.34 2ux1 n GLY 54 N 3.91 0.79 0.25 -3.53 0.00 -1.26 -4.89 105.19 100.46 2ux1 n GLY 54 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.19 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 0.38 0.00 1.61 3.57 -1.77 -1.27 116.94 119.45 2ux1 h PHE 55 Ca 0.00 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 2ux1 h PHE 55 Cb 0.00 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 2ux1 h PHE 55 CO 0.00 0.05 -0.20 1.98 -2.23 0.00 0.00 178.31 177.90 2ux1 h MET 56 N 0.38 0.00 0.11 1.11 4.05 -1.94 0.78 114.93 119.40 2ux1 h MET 56 Ca 0.35 0.00 -0.37 0.00 -0.28 0.00 0.00 59.70 59.40 2ux1 h MET 56 Cb 0.49 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.27 2ux1 h MET 56 CO -0.37 0.20 -2.07 1.51 0.23 0.00 0.00 176.91 176.41 2ux1 n ILE 57 N -3.58 1.74 0.09 1.77 0.13 -1.07 -4.47 119.36 113.97 2ux1 n ILE 57 Ca -0.01 -0.64 -0.03 0.00 -1.10 0.00 0.00 62.75 60.97 2ux1 n ILE 57 Cb 0.34 -1.69 -0.06 0.00 -0.84 0.00 0.00 39.64 37.40 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 0.06 0.00 0.81 9.51 4.06 -0.99 -3.07 115.95 126.33 2ux1 h TRP 58 Ca -0.45 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.46 2ux1 h TRP 58 Cb 2.02 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 30.18 2ux1 h TRP 58 CO 0.07 0.78 -0.42 1.25 -3.56 0.00 0.00 178.44 176.56 2ux1 h HIS 59 N 0.00 -1.10 -0.17 0.49 2.76 -1.08 -1.64 115.15 114.41 2ux1 h HIS 59 Ca -0.01 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 2ux1 h HIS 59 Cb 1.61 0.37 -0.01 0.00 1.55 0.00 0.00 27.41 30.93 2ux1 h HIS 59 CO 0.00 -0.66 0.11 -1.00 -1.30 0.00 0.00 177.93 175.08 2ux1 h PRO 60 N -1.12 0.22 -0.90 5.26 0.13 -1.78 -2.25 132.00 131.56 2ux1 h PRO 60 Ca -0.11 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 65.05 2ux1 h PRO 60 Cb 0.87 -0.05 -0.05 0.00 0.13 0.00 0.00 31.00 31.90 2ux1 h PRO 60 CO 0.16 0.15 0.59 -0.22 -0.23 0.00 0.00 178.00 178.44 2ux1 h LYS 61 N 0.23 1.07 -0.78 0.86 1.63 -1.38 -1.68 116.57 116.53 2ux1 h LYS 61 Ca 0.06 -0.06 0.08 0.00 -0.85 0.00 0.00 60.65 59.88 2ux1 h LYS 61 Cb -0.02 -0.24 -0.07 0.00 -0.60 0.00 0.00 32.23 31.30 2ux1 h LYS 61 CO -0.01 0.71 0.45 0.52 -3.45 0.00 0.00 179.45 177.66 2ux1 h MET 62 N 1.11 0.75 -0.66 1.90 2.86 -0.67 -1.14 114.93 119.07 2ux1 h MET 62 Ca 0.36 -0.05 0.13 0.00 -2.06 0.00 0.00 59.70 58.08 2ux1 h MET 62 Cb 0.05 -0.17 -0.09 0.00 0.06 0.00 0.00 31.60 31.44 2ux1 h MET 62 CO -0.11 0.50 0.18 0.22 1.06 0.00 0.00 176.91 178.75 2ux1 h ASP 63 N 0.77 0.07 -0.48 1.22 1.82 -1.35 0.27 116.42 118.75 2ux1 h ASP 63 Ca 0.37 0.12 -0.06 0.00 -0.39 0.00 0.00 57.03 57.07 2ux1 h ASP 63 Cb 0.30 0.14 -0.02 0.00 0.68 0.00 0.00 39.33 40.44 2ux1 h ASP 63 CO -0.23 0.03 0.07 -0.33 -1.61 0.00 0.00 179.24 177.17 2ux1 h GLU 64 N 0.31 0.80 -0.37 0.28 5.08 -1.02 -1.56 114.58 118.10 2ux1 h GLU 64 Ca 0.35 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2ux1 h GLU 64 Cb 0.54 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2ux1 h GLU 64 CO -0.42 0.81 0.15 1.88 -1.00 0.00 0.00 179.01 180.43 2ux1 h TYR 65 N 0.67 0.56 -0.62 4.33 0.05 -0.43 -1.98 116.97 119.55 2ux1 h TYR 65 Ca 0.15 -0.04 0.02 0.00 0.05 0.00 0.00 58.73 58.91 2ux1 h TYR 65 Cb 0.40 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 37.94 2ux1 h TYR 65 CO 0.03 0.50 0.39 0.52 -1.05 0.00 0.00 178.16 178.56 2ux1 h MET 66 N 0.45 0.76 -0.49 4.88 2.86 -0.35 0.89 114.93 123.93 2ux1 h MET 66 Ca 0.12 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.76 2ux1 h MET 66 Cb 0.18 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 2ux1 h MET 66 CO -0.01 0.50 0.24 0.93 1.06 0.00 0.00 176.91 179.64 2ux1 h GLU 67 N 0.78 0.46 -0.25 1.72 4.39 -1.14 0.23 114.58 120.77 2ux1 h GLU 67 Ca 0.24 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.88 2ux1 h GLU 67 Cb -0.01 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 2ux1 h GLU 67 CO -0.09 0.31 0.01 1.49 -1.16 0.00 0.00 179.01 179.57 2ux1 h GLU 68 N 0.48 0.44 -0.22 2.33 4.81 -0.72 -2.03 114.58 119.66 2ux1 h GLU 68 Ca 0.22 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.33 2ux1 h GLU 68 Cb 0.13 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2ux1 h GLU 68 CO -0.15 0.60 0.09 0.82 -0.73 0.00 0.00 179.01 179.64 2ux1 h ILE 69 N 0.23 0.97 -0.45 2.32 1.08 -0.55 -2.22 117.51 118.90 2ux1 h ILE 69 Ca 0.07 -0.07 0.03 0.00 -0.39 0.00 0.00 64.86 64.50 2ux1 h ILE 69 Cb 0.39 0.75 -0.02 0.00 -3.07 0.00 0.00 36.82 34.87 2ux1 h ILE 69 CO 0.01 0.04 0.30 0.44 -0.69 0.00 0.00 178.15 178.24 2ux1 h ASP 70 N 0.20 0.43 0.09 1.72 5.19 -0.89 -0.34 116.42 122.82 2ux1 h ASP 70 Ca 0.09 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.49 2ux1 h ASP 70 Cb 0.04 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.45 2ux1 h ASP 70 CO -0.08 0.30 -0.04 1.23 -3.12 0.00 0.00 179.24 177.53 2ux1 h GLY 71 N 0.50 -0.13 0.59 2.75 0.00 -0.78 -1.53 103.07 104.46 2ux1 h GLY 71 Ca 0.18 0.05 0.08 0.00 0.00 0.00 0.00 47.33 47.64 2ux1 h GLY 71 CO -0.04 -0.05 0.48 -0.97 0.00 0.00 0.00 176.54 175.96 2ux1 h TYR 72 N -0.29 0.88 -0.25 5.60 0.05 -0.91 -1.98 116.97 120.07 2ux1 h TYR 72 Ca -0.01 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 2ux1 h TYR 72 Cb 0.24 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.70 2ux1 h TYR 72 CO -0.02 0.39 0.08 1.25 -1.05 0.00 0.00 178.16 178.80 2ux1 h LEU 73 N 0.83 0.36 -0.50 3.88 6.46 -0.80 0.14 115.31 125.68 2ux1 h LEU 73 Ca 0.38 -0.20 -0.06 0.00 -0.12 0.00 0.00 57.88 57.88 2ux1 h LEU 73 Cb 0.30 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.12 2ux1 h LEU 73 CO -0.22 0.47 0.06 -0.78 -0.62 0.00 0.00 178.44 177.34 2ux1 h ASP 74 N 0.23 0.81 -0.61 1.25 3.58 -1.16 -1.44 116.42 119.09 2ux1 h ASP 74 Ca 0.08 -0.27 -0.10 0.00 0.42 0.00 0.00 57.03 57.16 2ux1 h ASP 74 Cb 0.24 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 2ux1 h ASP 74 CO -0.00 0.88 -0.00 -0.08 -2.88 0.00 0.00 179.24 177.15 2ux1 h GLU 75 N 0.71 1.07 -0.07 0.28 4.57 -1.19 0.30 114.58 120.24 2ux1 h GLU 75 Ca 0.15 -0.34 -0.24 0.00 -1.18 0.00 0.00 59.36 57.75 2ux1 h GLU 75 Cb 0.43 -0.10 0.02 0.00 -0.16 0.00 0.00 28.75 28.94 2ux1 h GLU 75 CO 0.01 1.05 -0.89 0.52 -1.18 0.00 0.00 179.01 178.52 2ux1 h MET 76 N 0.97 0.74 -0.60 1.92 2.86 -0.94 -1.23 114.93 118.64 2ux1 h MET 76 Ca 0.17 -0.69 -0.05 0.00 -2.06 0.00 0.00 59.70 57.07 2ux1 h MET 76 Cb 0.56 0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.37 2ux1 h MET 76 CO 0.03 1.28 0.19 1.03 1.06 0.00 0.00 176.91 180.51 2ux1 h SER 77 N 0.44 0.87 0.70 1.22 0.87 -1.23 -1.69 113.55 114.75 2ux1 h SER 77 Ca -0.09 -0.20 -0.08 0.00 -1.23 0.00 0.00 61.79 60.19 2ux1 h SER 77 Cb 1.54 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 63.26 2ux1 h SER 77 CO 0.18 0.84 -0.36 -0.33 -0.53 0.00 0.00 176.83 176.63 2ux1 h GLU 78 N 0.85 0.00 -0.38 2.24 5.08 -0.89 -1.10 114.58 120.38 2ux1 h GLU 78 Ca 0.19 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.43 2ux1 h GLU 78 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2ux1 h GLU 78 CO -0.01 0.36 -0.24 -0.09 -1.00 0.00 0.00 179.01 178.04 2ux1 h ARG 79 N 0.00 0.83 -0.50 2.33 9.65 -0.99 -0.87 114.38 124.84 2ux1 h ARG 79 Ca -0.00 -0.39 0.00 0.00 -1.10 0.00 0.00 59.98 58.49 2ux1 h ARG 79 Cb 0.81 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.36 2ux1 h ARG 79 CO 0.05 1.02 0.32 1.25 2.80 0.00 0.00 179.97 185.41 2ux1 h LEU 80 N 0.64 0.58 -0.36 3.80 5.85 -1.02 -0.58 115.31 124.22 2ux1 h LEU 80 Ca 0.08 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.80 2ux1 h LEU 80 Cb 0.80 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 2ux1 h LEU 80 CO 0.07 0.44 0.15 0.40 -0.34 0.00 0.00 178.44 179.16 2ux1 h ILE 81 N 0.67 0.93 -0.02 4.05 2.04 -1.13 0.35 117.51 124.41 2ux1 h ILE 81 Ca 0.18 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 2ux1 h ILE 81 Cb -0.05 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2ux1 h ILE 81 CO -0.04 0.06 -0.09 0.74 0.00 0.00 0.00 178.15 178.82 2ux1 h THR 82 N 0.32 1.07 -0.07 -0.27 2.02 -0.85 -0.59 112.91 114.54 2ux1 h THR 82 Ca 0.16 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 67.00 2ux1 h THR 82 Cb 0.11 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2ux1 h THR 82 CO -0.14 0.10 0.00 0.18 0.37 0.00 0.00 175.52 176.03 2ux1 n LEU 83 N -4.42 0.68 0.00 2.58 4.77 -0.25 -4.90 117.00 115.46 2ux1 n LEU 83 Ca -0.02 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 2ux1 n LEU 83 Cb 0.17 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2ux1 n LEU 83 CO 0.35 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 2ux1 n GLY 84 N 0.92 0.48 1.73 -0.72 0.00 -0.23 -5.05 105.19 102.32 2ux1 n GLY 84 Ca 0.15 -0.93 -0.11 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.80 -0.11 2.55 -0.02 0.00 0.12 -4.99 105.19 99.94 2ux1 n GLY 85 Ca 0.00 -1.87 -0.29 0.00 0.00 0.00 0.00 46.02 43.86 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 -3.37 0.96 0.44 4.61 0.00 -1.26 -4.48 121.76 118.65 2ux1 s ALA 86 Ca 0.31 -1.53 -0.25 0.00 0.00 0.00 0.00 51.96 50.49 2ux1 s ALA 86 Cb -0.01 -1.53 -0.08 0.00 0.00 0.00 0.00 23.12 21.49 2ux1 s ALA 86 CO 0.21 -1.83 1.37 -1.25 0.00 0.00 0.00 175.76 174.26 2ux1 s PRO 87 N 1.57 3.79 0.18 0.00 0.04 -1.26 -4.95 135.00 134.37 2ux1 s PRO 87 Ca 0.13 2.29 -0.33 0.00 0.04 0.00 0.00 61.00 63.13 2ux1 s PRO 87 Cb -0.19 -2.68 -0.15 0.00 0.04 0.00 0.00 34.50 31.52 2ux1 s PRO 87 CO -0.20 -0.69 1.29 1.19 0.04 0.00 0.00 177.00 178.63 2ux1 n PHE 88 N -0.09 1.68 -2.55 0.56 3.72 -1.26 -4.88 117.46 114.64 2ux1 n PHE 88 Ca 0.05 0.56 -0.01 0.00 -0.05 0.00 0.00 57.45 58.00 2ux1 n PHE 88 Cb 0.43 -2.36 0.04 0.00 -0.94 0.00 0.00 39.48 36.64 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 2.22 0.09 -3.92 4.37 3.41 -1.26 -4.92 113.62 113.62 2ux1 n SER 89 Ca 0.14 -2.07 -0.10 0.00 -0.26 0.00 0.00 58.87 56.59 2ux1 n SER 89 Cb 0.27 0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 64.16 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 -1.13 0.11 0.43 6.66 -4.23 -1.26 -5.05 115.64 111.17 2ux1 s THR 90 Ca 0.18 -0.95 0.11 0.00 -1.18 0.00 0.00 61.69 59.85 2ux1 s THR 90 Cb 0.31 -0.68 0.21 0.00 1.34 0.00 0.00 72.50 73.68 2ux1 s THR 90 CO -0.09 -0.52 2.01 -0.07 -0.54 0.00 0.00 174.62 175.42 2ux1 h LEU 91 N 3.96 0.21 -0.31 4.79 3.38 -1.99 -1.92 115.31 123.43 2ux1 h LEU 91 Ca -0.32 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 2ux1 h LEU 91 Cb 1.19 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2ux1 h LEU 91 CO 0.46 0.26 0.05 0.50 0.09 0.00 0.00 178.44 179.80 2ux1 h LYS 92 N 0.23 0.51 -0.80 1.13 3.64 -1.99 -1.34 116.57 117.95 2ux1 h LYS 92 Ca 0.05 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 2ux1 h LYS 92 Cb 0.17 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 2ux1 h LYS 92 CO 0.00 0.60 0.36 0.93 -2.27 0.00 0.00 179.45 179.08 2ux1 h GLU 93 N 0.33 1.16 -0.27 1.90 5.08 -1.84 -1.28 114.58 119.66 2ux1 h GLU 93 Ca 0.09 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 2ux1 h GLU 93 Cb 0.34 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2ux1 h GLU 93 CO 0.01 0.91 0.05 0.74 -1.00 0.00 0.00 179.01 179.72 2ux1 h PHE 94 N 1.15 0.46 -0.47 4.33 0.04 -1.23 -2.33 116.94 118.89 2ux1 h PHE 94 Ca 0.27 -0.06 -0.13 0.00 2.80 0.00 0.00 57.97 60.85 2ux1 h PHE 94 Cb 0.15 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 2ux1 h PHE 94 CO 0.02 0.53 -0.21 1.03 -0.60 0.00 0.00 178.31 179.07 2ux1 h SER 95 N 0.26 0.98 1.76 2.17 0.87 -1.09 -1.56 113.55 116.94 2ux1 h SER 95 Ca 0.08 -0.37 -0.04 0.00 -1.23 0.00 0.00 61.79 60.24 2ux1 h SER 95 Cb 0.31 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 2ux1 h SER 95 CO 0.00 1.15 -0.17 -0.33 -0.53 0.00 0.00 176.83 176.95 2ux1 h GLU 96 N 0.83 0.00 0.00 2.24 5.08 -1.24 -3.34 114.58 118.15 2ux1 h GLU 96 Ca 0.11 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.13 2ux1 h GLU 96 Cb 0.78 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.97 2ux1 h GLU 96 CO 0.06 0.17 -2.26 0.09 -1.00 0.00 0.00 179.01 176.07 2ux1 n ASN 97 N -3.15 0.14 -4.77 1.42 3.02 -0.88 -4.98 115.26 106.07 2ux1 n ASN 97 Ca 0.03 0.07 -0.39 0.00 -0.03 0.00 0.00 54.58 54.26 2ux1 n ASN 97 Cb 0.58 0.87 -0.01 0.00 -0.61 0.00 0.00 39.78 40.61 2ux1 n ASN 97 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2ux1 s SER 98 N -5.54 6.51 0.00 6.41 0.15 -0.59 -4.92 113.70 115.71 2ux1 s SER 98 Ca -0.09 2.52 0.28 0.00 0.70 0.00 0.00 55.95 59.36 2ux1 s SER 98 Cb 0.07 -2.63 1.03 0.00 -1.71 0.00 0.00 66.02 62.78 2ux1 s SER 98 CO 0.83 -0.70 1.74 0.00 1.20 0.00 0.00 173.24 176.31 2ux1 n GLN 99 N 0.27 0.88 -3.03 5.44 6.02 -1.26 -4.87 117.38 120.83 2ux1 n GLN 99 Ca 0.03 -0.43 -0.40 0.00 -0.01 0.00 0.00 57.00 56.20 2ux1 n GLN 99 Cb 0.44 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 30.16 2ux1 n GLN 99 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2ux1 s LEU 100 N -2.41 4.38 -0.18 1.08 1.43 -1.26 -5.05 118.68 116.67 2ux1 s LEU 100 Ca 0.29 1.30 -0.10 0.00 -1.03 0.00 0.00 54.13 54.58 2ux1 s LEU 100 Cb 0.20 -3.13 -0.05 0.00 0.03 0.00 0.00 46.19 43.24 2ux1 s LEU 100 CO 0.47 -0.04 0.15 -1.59 0.23 0.00 0.00 176.35 175.57 2ux1 s LYS 101 N 0.36 4.09 -0.09 1.70 0.00 -1.26 -5.07 119.74 119.46 2ux1 s LYS 101 Ca 0.38 -0.18 -0.11 0.00 0.00 0.00 0.00 55.97 56.06 2ux1 s LYS 101 Cb -0.19 -3.39 -0.05 0.00 0.00 0.00 0.00 37.83 34.21 2ux1 s LYS 101 CO 0.20 0.37 0.25 -1.21 0.00 0.00 0.00 175.35 174.96 2ux1 s GLU 102 N 0.16 3.78 0.17 1.78 2.02 -1.26 -5.11 118.70 120.23 2ux1 s GLU 102 Ca 0.10 0.07 0.08 0.00 0.02 0.00 0.00 54.97 55.24 2ux1 s GLU 102 Cb -0.11 -3.25 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 2ux1 s GLU 102 CO -0.01 0.63 -0.03 0.14 0.02 0.00 0.00 175.26 176.02 2ux1 s VAL 103 N -0.71 3.60 0.32 2.63 -7.23 -1.26 -5.11 120.40 112.65 2ux1 s VAL 103 Ca 0.18 -1.45 -0.27 0.00 -1.81 0.00 0.00 61.98 58.63 2ux1 s VAL 103 Cb -0.14 -2.80 -0.14 0.00 0.56 0.00 0.00 36.38 33.87 2ux1 s VAL 103 CO 0.07 -0.09 0.88 0.18 -0.31 0.00 0.00 175.10 175.82 2ux1 n LEU 104 N -0.02 1.27 -4.76 1.32 4.32 -1.26 -4.91 117.00 112.95 2ux1 n LEU 104 Ca -0.10 1.11 -0.39 0.00 -0.02 0.00 0.00 56.01 56.61 2ux1 n LEU 104 Cb 0.55 -1.23 0.02 0.00 -1.62 0.00 0.00 43.42 41.14 2ux1 n LEU 104 CO 0.38 -1.83 1.03 -0.83 -1.22 0.00 0.00 177.39 174.91 2ux1 s GLY 105 N -0.70 2.91 -0.20 -0.72 0.00 -1.26 -5.02 107.32 102.34 2ux1 s GLY 105 Ca 0.61 1.39 -0.04 0.00 0.00 0.00 0.00 44.72 46.67 2ux1 s GLY 105 CO 0.59 1.97 0.33 -0.35 0.00 0.00 0.00 173.10 175.64 2ux1 s ASP 106 N -0.66 0.32 0.30 1.64 2.15 -1.26 -5.03 116.67 114.14 2ux1 s ASP 106 Ca 0.62 0.44 0.25 0.00 0.43 0.00 0.00 52.55 54.29 2ux1 s ASP 106 Cb -0.42 0.96 1.05 0.00 -0.30 0.00 0.00 42.92 44.21 2ux1 s ASP 106 CO 0.53 -0.27 1.74 1.88 -0.17 0.00 0.00 175.17 178.88 2ux1 h TYR 107 N 8.23 0.00 0.00 -5.34 0.05 -1.96 -3.12 116.97 114.82 2ux1 h TYR 107 Ca -0.17 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.61 2ux1 h TYR 107 Cb 1.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.87 2ux1 h TYR 107 CO 0.23 0.00 0.00 -1.71 -1.05 0.00 0.00 178.16 175.63 2ux1 n ASN 108 N -2.34 0.00 -4.77 3.88 5.15 -1.26 -4.60 115.26 111.32 2ux1 n ASN 108 Ca 0.02 -0.12 -0.40 0.00 -0.60 0.00 0.00 54.58 53.48 2ux1 n ASN 108 Cb 0.22 -0.29 -0.02 0.00 -0.53 0.00 0.00 39.78 39.16 2ux1 n ASN 108 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2ux1 s VAL 109 N -2.59 2.90 0.57 3.44 1.01 -1.18 -5.01 120.40 119.55 2ux1 s VAL 109 Ca 0.28 0.85 -0.12 0.00 0.00 0.00 0.00 61.98 62.99 2ux1 s VAL 109 Cb 0.20 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 2ux1 s VAL 109 CO 0.46 0.16 0.99 0.42 0.00 0.00 0.00 175.10 177.13 2ux1 s THR 110 N -1.24 4.68 0.14 3.92 -4.23 -1.26 -4.55 115.64 113.10 2ux1 s THR 110 Ca 0.52 0.90 -0.20 0.00 -1.18 0.00 0.00 61.69 61.73 2ux1 s THR 110 Cb -0.36 -3.83 0.02 0.00 1.34 0.00 0.00 72.50 69.67 2ux1 s THR 110 CO 0.47 -0.99 1.67 0.40 -0.54 0.00 0.00 174.62 175.63 2ux1 h ILE 111 N 0.09 0.62 -0.94 2.99 1.08 -1.91 0.07 117.51 119.51 2ux1 h ILE 111 Ca -0.45 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.07 2ux1 h ILE 111 Cb 1.19 0.62 -0.06 0.00 -3.07 0.00 0.00 36.82 35.50 2ux1 h ILE 111 CO 0.62 0.00 0.60 -0.33 -0.69 0.00 0.00 178.15 178.35 2ux1 h GLU 112 N -0.10 1.10 -0.43 2.37 5.08 -1.93 -0.97 114.58 119.71 2ux1 h GLU 112 Ca 0.13 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 2ux1 h GLU 112 Cb 0.29 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2ux1 h GLU 112 CO -0.30 0.73 -0.05 1.49 -1.00 0.00 0.00 179.01 179.89 2ux1 h GLU 113 N 1.14 0.72 -0.38 2.33 4.81 -1.78 -0.63 114.58 120.78 2ux1 h GLU 113 Ca 0.39 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 2ux1 h GLU 113 Cb 0.08 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2ux1 h GLU 113 CO -0.15 0.76 0.20 1.96 -0.73 0.00 0.00 179.01 181.06 2ux1 h GLN 114 N 0.67 0.53 -0.55 1.92 1.08 0.09 -0.29 115.11 118.56 2ux1 h GLN 114 Ca 0.13 -0.07 -0.08 0.00 -1.45 0.00 0.00 58.65 57.18 2ux1 h GLN 114 Cb 0.48 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 2ux1 h GLN 114 CO 0.02 0.45 0.02 -0.07 -0.95 0.00 0.00 178.83 178.31 2ux1 h LEU 115 N 0.48 0.90 -1.44 1.46 3.38 -1.11 -1.74 115.31 117.24 2ux1 h LEU 115 Ca 0.13 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2ux1 h LEU 115 Cb 0.08 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2ux1 h LEU 115 CO -0.02 0.95 0.27 0.00 0.09 0.00 0.00 178.44 179.73 2ux1 h ALA 116 N 1.15 1.57 -0.60 1.53 0.00 -0.82 -0.54 119.26 121.56 2ux1 h ALA 116 Ca 0.16 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2ux1 h ALA 116 Cb 0.48 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2ux1 h ALA 116 CO 0.02 0.36 0.11 -0.09 0.00 0.00 0.00 179.25 179.65 2ux1 h ARG 117 N 0.67 0.99 -0.39 0.00 9.65 -0.22 -0.78 114.38 124.29 2ux1 h ARG 117 Ca 0.17 -0.26 -0.08 0.00 -1.10 0.00 0.00 59.98 58.71 2ux1 h ARG 117 Cb 0.00 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.45 2ux1 h ARG 117 CO -0.03 0.92 -0.08 0.28 2.80 0.00 0.00 179.97 183.86 2ux1 h VAL 118 N 0.89 1.27 -0.40 0.20 2.07 -0.78 -1.24 116.25 118.27 2ux1 h VAL 118 Ca 0.18 -1.16 0.06 0.00 0.82 0.00 0.00 66.70 66.60 2ux1 h VAL 118 Cb 0.41 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 2ux1 h VAL 118 CO 0.01 0.39 0.11 0.58 0.02 0.00 0.00 177.57 178.67 2ux1 h VAL 119 N 0.56 0.83 -0.46 2.57 2.07 -1.00 0.17 116.25 121.00 2ux1 h VAL 119 Ca 0.10 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.59 2ux1 h VAL 119 Cb 0.60 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 2ux1 h VAL 119 CO 0.04 0.05 0.18 -0.08 0.02 0.00 0.00 177.57 177.78 2ux1 h GLU 120 N 0.25 0.36 -0.46 1.57 4.81 -0.84 0.49 114.58 120.76 2ux1 h GLU 120 Ca 0.19 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 2ux1 h GLU 120 Cb 0.21 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 2ux1 h GLU 120 CO -0.23 0.24 0.14 0.28 -0.73 0.00 0.00 179.01 178.71 2ux1 h VAL 121 N 0.37 1.23 -0.58 0.32 2.07 -0.89 -2.52 116.25 116.26 2ux1 h VAL 121 Ca 0.21 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.92 2ux1 h VAL 121 Cb 0.19 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2ux1 h VAL 121 CO -0.20 0.27 0.15 -0.26 0.02 0.00 0.00 177.57 177.56 2ux1 h PHE 122 N 0.61 0.96 -0.94 1.57 -1.00 0.31 -1.35 116.94 117.09 2ux1 h PHE 122 Ca 0.15 -0.11 0.09 0.00 2.81 0.00 0.00 57.97 60.90 2ux1 h PHE 122 Cb 0.28 -0.27 -0.07 0.00 3.61 0.00 0.00 35.95 39.50 2ux1 h PHE 122 CO 0.01 0.82 0.59 0.00 -1.61 0.00 0.00 178.31 178.12 2ux1 h ARG 123 N 0.83 0.98 -0.39 1.51 3.08 0.06 0.09 114.38 120.54 2ux1 h ARG 123 Ca 0.18 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.12 2ux1 h ARG 123 Cb 0.33 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2ux1 h ARG 123 CO 0.00 0.65 0.03 -0.92 -1.07 0.00 0.00 179.97 178.66 2ux1 h TYR 124 N 1.01 0.71 -0.62 3.04 3.20 -0.99 -1.83 116.97 121.49 2ux1 h TYR 124 Ca 0.43 -0.11 -0.06 0.00 3.14 0.00 0.00 58.73 62.14 2ux1 h TYR 124 Cb 0.30 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 2ux1 h TYR 124 CO -0.02 0.72 0.17 -0.07 -1.64 0.00 0.00 178.16 177.32 2ux1 h LEU 125 N 0.49 0.92 -0.87 2.82 3.38 -0.68 0.52 115.31 121.90 2ux1 h LEU 125 Ca 0.11 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 2ux1 h LEU 125 Cb 0.42 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 2ux1 h LEU 125 CO 0.01 0.90 0.32 0.00 0.09 0.00 0.00 178.44 179.77 2ux1 h ALA 126 N 1.05 1.10 -0.37 1.53 0.00 -0.98 0.84 119.26 122.44 2ux1 h ALA 126 Ca 0.20 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2ux1 h ALA 126 Cb 0.33 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2ux1 h ALA 126 CO -0.00 0.65 0.22 0.00 0.00 0.00 0.00 179.25 180.12 2ux1 h ALA 127 N 1.22 0.47 -0.74 0.00 0.00 -0.90 -0.75 119.26 118.57 2ux1 h ALA 127 Ca 0.26 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2ux1 h ALA 127 Cb 0.19 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2ux1 h ALA 127 CO -0.02 -0.03 0.29 1.25 0.00 0.00 0.00 179.25 180.73 2ux1 h LEU 128 N 0.48 1.03 -0.98 0.00 5.85 -0.64 -1.97 115.31 119.08 2ux1 h LEU 128 Ca 0.13 -0.18 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 2ux1 h LEU 128 Cb 0.01 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 2ux1 h LEU 128 CO -0.02 0.93 -0.47 -0.26 -0.34 0.00 0.00 178.44 178.27 2ux1 h PHE 129 N 1.07 0.00 -0.21 1.25 0.04 -0.62 -0.01 116.94 118.46 2ux1 h PHE 129 Ca 0.25 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.00 2ux1 h PHE 129 Cb 0.23 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 2ux1 h PHE 129 CO 0.02 0.47 0.07 0.37 -0.60 0.00 0.00 178.31 178.64 2ux1 h GLN 130 N 0.00 0.32 -0.68 1.51 5.75 -0.85 -0.35 115.11 120.81 2ux1 h GLN 130 Ca -0.00 -0.07 0.09 0.00 -0.15 0.00 0.00 58.65 58.52 2ux1 h GLN 130 Cb 0.90 -0.05 -0.07 0.00 1.07 0.00 0.00 27.48 29.33 2ux1 h GLN 130 CO 0.06 0.40 0.33 0.87 -2.65 0.00 0.00 178.83 177.85 2ux1 h LYS 131 N 0.17 0.56 -0.56 1.69 1.57 -0.77 0.58 116.57 119.81 2ux1 h LYS 131 Ca 0.07 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 2ux1 h LYS 131 Cb 0.21 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 2ux1 h LYS 131 CO -0.00 0.37 -0.01 0.78 -0.57 0.00 0.00 179.45 180.02 2ux1 h GLY 132 N 0.57 1.05 0.94 3.86 0.00 -0.93 -0.89 103.07 107.68 2ux1 h GLY 132 Ca 0.33 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 2ux1 h GLY 132 CO -0.26 0.70 0.12 -2.75 0.00 0.00 0.00 176.54 174.34 2ux1 h PHE 133 N 0.90 0.33 0.29 5.60 3.57 -0.46 -1.84 116.94 125.33 2ux1 h PHE 133 Ca 0.16 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 2ux1 h PHE 133 Cb 0.53 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 2ux1 h PHE 133 CO 0.03 0.31 -0.19 -0.44 -2.23 0.00 0.00 178.31 175.79 2ux1 h ASP 134 N 0.26 -0.49 -0.74 0.41 3.32 -0.67 -1.11 116.42 117.41 2ux1 h ASP 134 Ca 0.08 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 2ux1 h ASP 134 Cb 0.09 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 2ux1 h ASP 134 CO -0.01 -0.31 0.37 0.58 -1.72 0.00 0.00 179.24 178.15 2ux1 h VAL 135 N -0.48 1.23 -0.00 -1.35 2.07 -1.20 -0.93 116.25 115.60 2ux1 h VAL 135 Ca -0.03 -0.64 -0.15 0.00 0.82 0.00 0.00 66.70 66.70 2ux1 h VAL 135 Cb 0.40 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2ux1 h VAL 135 CO 0.02 0.27 -0.71 0.77 0.02 0.00 0.00 177.57 177.94 2ux1 h SER 136 N 1.03 0.01 -0.38 0.57 4.64 -1.29 -2.03 113.55 116.11 2ux1 h SER 136 Ca 0.26 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.49 2ux1 h SER 136 Cb 0.09 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 2ux1 h SER 136 CO -0.03 0.72 -0.04 -0.78 -0.87 0.00 0.00 176.83 175.83 2ux1 h ASP 137 N 0.01 0.69 -0.41 4.97 3.58 -0.80 0.50 116.42 124.95 2ux1 h ASP 137 Ca -0.01 -0.33 -0.03 0.00 0.42 0.00 0.00 57.03 57.08 2ux1 h ASP 137 Cb 1.26 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 42.10 2ux1 h ASP 137 CO 0.09 0.86 0.16 -0.33 -2.88 0.00 0.00 179.24 177.15 2ux1 h GLU 138 N 0.50 0.67 -0.07 0.28 5.08 -1.01 -2.94 114.58 117.10 2ux1 h GLU 138 Ca 0.10 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ux1 h GLU 138 Cb 0.53 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2ux1 h GLU 138 CO 0.03 0.58 0.00 0.39 -1.00 0.00 0.00 179.01 179.00 2ux1 n GLU 139 N -4.34 1.86 -1.21 2.33 1.02 -0.78 -4.95 120.64 114.57 2ux1 n GLU 139 Ca 0.03 -1.26 -0.07 0.00 -0.02 0.00 0.00 57.16 55.84 2ux1 n GLU 139 Cb 0.17 -1.46 -0.03 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 1.22 0.90 3.49 0.62 0.00 -0.73 -4.94 105.19 105.75 2ux1 n GLY 140 Ca 0.18 -0.38 -0.44 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.61 6.95 0.34 1.61 -1.08 0.09 -4.83 116.67 117.14 2ux1 s ASP 141 Ca 0.00 -2.71 0.16 0.00 -0.52 0.00 0.00 52.55 49.48 2ux1 s ASP 141 Cb 0.00 -2.44 0.56 0.00 -1.46 0.00 0.00 42.92 39.58 2ux1 s ASP 141 CO 0.00 -0.90 1.69 0.77 0.52 0.00 0.00 175.17 177.24 2ux1 h SER 142 N 7.56 0.00 -0.00 -0.34 4.64 -1.93 -1.53 113.55 121.94 2ux1 h SER 142 Ca 0.32 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.64 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 1.28 0.45 -0.01 0.58 -0.87 0.00 0.00 176.83 178.27 2ux1 h VAL 143 N 0.00 1.40 -0.63 0.95 2.07 -1.95 -1.95 116.25 116.13 2ux1 h VAL 143 Ca -0.00 -1.17 0.02 0.00 0.82 0.00 0.00 66.70 66.36 2ux1 h VAL 143 Cb 0.98 2.18 -0.03 0.00 -1.52 0.00 0.00 31.29 32.90 2ux1 h VAL 143 CO 0.06 0.31 0.42 0.74 0.02 0.00 0.00 177.57 179.11 2ux1 h THR 144 N -0.48 1.13 -0.65 2.57 2.02 -1.95 -2.31 112.91 113.24 2ux1 h THR 144 Ca 0.00 -0.28 0.01 0.00 0.77 0.00 0.00 66.41 66.92 2ux1 h THR 144 Cb 0.50 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 2ux1 h THR 144 CO 0.00 0.15 0.42 -1.13 0.37 0.00 0.00 175.52 175.33 2ux1 h ASN 145 N 0.81 0.71 -0.50 4.18 -0.73 -1.08 -2.31 115.58 116.67 2ux1 h ASN 145 Ca 0.24 -0.01 -0.10 0.00 1.87 0.00 0.00 56.30 58.29 2ux1 h ASN 145 Cb -0.03 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.37 2ux1 h ASN 145 CO -0.06 0.51 -0.09 -0.78 -0.37 0.00 0.00 177.43 176.64 2ux1 h ASP 146 N 0.85 0.94 -0.15 1.15 3.58 -0.91 -1.77 116.42 120.10 2ux1 h ASP 146 Ca 0.24 -0.35 0.05 0.00 0.42 0.00 0.00 57.03 57.39 2ux1 h ASP 146 Cb -0.06 -0.26 -0.06 0.00 1.72 0.00 0.00 39.33 40.67 2ux1 h ASP 146 CO -0.07 1.07 -0.30 0.40 -2.88 0.00 0.00 179.24 177.46 2ux1 h ILE 147 N 0.80 0.32 -0.45 2.25 2.04 -1.16 -0.31 117.51 120.99 2ux1 h ILE 147 Ca 0.13 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.95 2ux1 h ILE 147 Cb 0.65 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 2ux1 h ILE 147 CO 0.04 0.00 0.14 -0.26 0.00 0.00 0.00 178.15 178.07 2ux1 h PHE 148 N -0.36 0.67 -0.35 1.37 0.04 -1.37 -2.37 116.94 114.58 2ux1 h PHE 148 Ca 0.10 -0.04 -0.07 0.00 2.80 0.00 0.00 57.97 60.76 2ux1 h PHE 148 Cb 0.52 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 2ux1 h PHE 148 CO -0.40 0.56 -0.05 -0.97 -0.60 0.00 0.00 178.31 176.85 2ux1 h ASN 149 N 0.66 0.65 -0.40 2.17 -1.24 -0.68 -1.28 115.58 115.45 2ux1 h ASN 149 Ca 0.15 -0.34 -0.03 0.00 0.71 0.00 0.00 56.30 56.80 2ux1 h ASN 149 Cb 0.20 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.06 2ux1 h ASN 149 CO -0.01 0.83 0.14 0.58 -1.29 0.00 0.00 177.43 177.69 2ux1 h VAL 150 N 0.45 1.21 -0.62 2.57 2.07 -0.96 -1.18 116.25 119.78 2ux1 h VAL 150 Ca 0.09 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 2ux1 h VAL 150 Cb 0.53 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 2ux1 h VAL 150 CO 0.03 0.23 0.38 0.00 0.02 0.00 0.00 177.57 178.23 2ux1 h ALA 151 N 0.99 0.79 -0.47 1.67 0.00 -1.39 -2.78 119.26 118.07 2ux1 h ALA 151 Ca 0.13 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2ux1 h ALA 151 Cb 0.22 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2ux1 h ALA 151 CO -0.01 0.27 0.02 -0.22 0.00 0.00 0.00 179.25 179.31 2ux1 h LYS 152 N 0.84 0.82 -0.56 0.00 3.64 -1.07 -1.80 116.57 118.43 2ux1 h LYS 152 Ca 0.22 -0.25 0.11 0.00 -1.27 0.00 0.00 60.65 59.46 2ux1 h LYS 152 Cb -0.03 -0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 31.63 2ux1 h LYS 152 CO -0.04 0.86 0.05 0.00 -2.27 0.00 0.00 179.45 178.04 2ux1 h ALA 153 N 0.93 0.59 -0.11 5.00 0.00 -1.06 -1.22 119.26 123.39 2ux1 h ALA 153 Ca 0.14 0.15 -0.18 0.00 0.00 0.00 0.00 54.91 55.02 2ux1 h ALA 153 Cb 0.48 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.52 2ux1 h ALA 153 CO 0.02 -0.36 -0.62 1.03 0.00 0.00 0.00 179.25 179.32 2ux1 h SER 154 N 0.17 0.74 -0.79 0.00 0.87 -1.28 -2.67 113.55 110.58 2ux1 h SER 154 Ca 0.29 -0.65 -0.05 0.00 -1.23 0.00 0.00 61.79 60.16 2ux1 h SER 154 Cb 0.45 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 2ux1 h SER 154 CO -0.44 1.27 0.31 0.40 -0.53 0.00 0.00 176.83 177.84 2ux1 h ILE 155 N 0.26 1.26 -0.56 2.23 1.08 -1.11 -1.44 117.51 119.23 2ux1 h ILE 155 Ca -0.05 -0.84 -0.09 0.00 -0.39 0.00 0.00 64.86 63.50 2ux1 h ILE 155 Cb 1.26 0.32 -0.02 0.00 -3.07 0.00 0.00 36.82 35.31 2ux1 h ILE 155 CO 0.13 0.34 -0.01 -0.33 -0.69 0.00 0.00 178.15 177.59 2ux1 h GLU 156 N 1.16 0.97 -0.57 2.37 5.08 -1.24 -0.72 114.58 121.62 2ux1 h GLU 156 Ca 0.26 -0.30 0.07 0.00 -1.00 0.00 0.00 59.36 58.40 2ux1 h GLU 156 Cb 0.23 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 2ux1 h GLU 156 CO -0.02 0.96 0.26 -0.22 -1.00 0.00 0.00 179.01 178.98 2ux1 h LYS 157 N 0.89 0.46 -0.71 2.33 3.64 -1.06 -1.50 116.57 120.63 2ux1 h LYS 157 Ca 0.16 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 2ux1 h LYS 157 Cb 0.54 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 2ux1 h LYS 157 CO 0.03 0.31 0.26 0.45 -2.27 0.00 0.00 179.45 178.23 2ux1 h HIS 158 N 0.48 1.10 -0.63 1.91 3.86 -0.88 -1.64 115.15 119.35 2ux1 h HIS 158 Ca 0.27 -0.09 0.03 0.00 -1.16 0.00 0.00 60.37 59.42 2ux1 h HIS 158 Cb 0.25 -0.33 -0.04 0.00 1.06 0.00 0.00 27.41 28.35 2ux1 h HIS 158 CO -0.13 0.86 0.38 0.82 0.86 0.00 0.00 177.93 180.72 2ux1 h ILE 159 N 1.02 1.06 -0.23 2.45 2.04 -0.75 0.20 117.51 123.31 2ux1 h ILE 159 Ca 0.23 -0.25 0.04 0.00 1.00 0.00 0.00 64.86 65.88 2ux1 h ILE 159 Cb 0.24 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 2ux1 h ILE 159 CO -0.02 0.14 -0.05 -0.25 0.00 0.00 0.00 178.15 177.97 2ux1 h TRP 160 N 0.74 -0.11 -0.43 1.37 7.01 -0.86 -0.02 115.95 123.65 2ux1 h TRP 160 Ca 0.26 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.21 2ux1 h TRP 160 Cb 0.05 0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.18 2ux1 h TRP 160 CO -0.06 -0.09 0.01 0.52 -2.79 0.00 0.00 178.44 176.03 2ux1 h MET 161 N 0.00 0.75 0.09 2.65 0.00 -0.65 0.83 114.93 118.62 2ux1 h MET 161 Ca 0.11 -0.23 -0.00 0.00 0.00 0.00 0.00 59.70 59.57 2ux1 h MET 161 Cb 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 31.60 31.69 2ux1 h MET 161 CO -0.23 0.82 -0.05 -0.07 0.00 0.00 0.00 176.91 177.38 2ux1 h LEU 162 N 0.59 -0.11 -1.04 1.22 3.38 -0.56 -1.25 115.31 117.55 2ux1 h LEU 162 Ca 0.12 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.08 2ux1 h LEU 162 Cb 0.47 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 2ux1 h LEU 162 CO 0.02 -0.03 0.65 1.56 0.09 0.00 0.00 178.44 180.73 2ux1 h GLN 163 N -0.17 1.26 -0.72 1.13 1.08 -0.85 -2.01 115.11 114.82 2ux1 h GLN 163 Ca -0.01 -0.08 0.03 0.00 -1.45 0.00 0.00 58.65 57.14 2ux1 h GLN 163 Cb 0.14 -0.28 -0.04 0.00 -0.05 0.00 0.00 27.48 27.24 2ux1 h GLN 163 CO 0.02 0.83 0.45 0.00 -0.95 0.00 0.00 178.83 179.18 2ux1 h ALA 164 N 1.40 0.93 -0.53 3.87 0.00 -0.48 0.11 119.26 124.57 2ux1 h ALA 164 Ca 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2ux1 h ALA 164 Cb -0.08 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 2ux1 h ALA 164 CO -0.10 0.24 0.34 1.49 0.00 0.00 0.00 179.25 181.22 2ux1 h GLU 165 N 0.89 0.71 -0.43 0.00 4.57 -0.62 -1.70 114.58 117.99 2ux1 h GLU 165 Ca 0.28 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 2ux1 h GLU 165 Cb 0.00 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.44 2ux1 h GLU 165 CO -0.10 0.48 0.00 1.28 -1.18 0.00 0.00 179.01 179.49 2ux1 n LEU 166 N -4.44 2.01 -0.37 1.64 4.77 -0.51 -4.89 117.00 115.20 2ux1 n LEU 166 Ca 0.05 -1.01 -0.04 0.00 -0.03 0.00 0.00 56.01 54.98 2ux1 n LEU 166 Cb 0.06 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 40.84 2ux1 n LEU 166 CO 0.36 0.43 -0.04 0.61 -1.33 0.00 0.00 177.39 177.41 2ux1 n GLY 167 N 0.85 0.54 3.33 -0.72 0.00 -0.64 -5.01 105.19 103.54 2ux1 n GLY 167 Ca 0.11 -0.83 -0.18 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.97 1.28 0.72 1.61 -0.21 -0.09 -5.00 119.66 115.01 2ux1 s GLN 168 Ca 0.00 -1.57 -0.11 0.00 0.02 0.00 0.00 55.36 53.70 2ux1 s GLN 168 Cb 0.00 -1.03 0.03 0.00 1.00 0.00 0.00 33.01 33.01 2ux1 s GLN 168 CO 0.00 0.17 1.08 0.00 -2.12 0.00 0.00 175.29 174.42 2ux1 s ALA 169 N -3.04 2.44 0.37 6.09 0.00 -1.26 -3.15 121.76 123.21 2ux1 s ALA 169 Ca 0.21 0.26 0.06 0.00 0.00 0.00 0.00 51.96 52.49 2ux1 s ALA 169 Cb -0.00 -3.25 0.72 0.00 0.00 0.00 0.00 23.12 20.59 2ux1 s ALA 169 CO 0.06 -1.49 1.95 -1.35 0.00 0.00 0.00 175.76 174.93 2ux1 h PRO 170 N -0.76 0.52 -6.53 0.00 0.11 -1.87 -3.46 132.00 120.01 2ux1 h PRO 170 Ca -0.44 -0.08 -0.50 0.00 0.11 0.00 0.00 66.00 65.09 2ux1 h PRO 170 Cb 1.23 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2ux1 h PRO 170 CO 0.54 0.46 -0.94 1.63 -0.21 0.00 0.00 178.00 179.48 2ux1 n LYS 171 N -4.36 -1.58 0.00 1.05 5.02 -1.26 -4.84 118.16 112.18 2ux1 n LYS 171 Ca 0.02 0.33 0.05 0.00 -2.02 0.00 0.00 58.31 56.69 2ux1 n LYS 171 Cb 0.17 -3.84 0.30 0.00 -0.02 0.00 0.00 35.03 31.64 2ux1 n LYS 171 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16