#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xq5 s LEU 2 N 0.00 4.54 0.78 -3.43 1.02 -1.26 -5.05 118.68 115.29 1xq5 s LEU 2 Ca 0.00 1.67 -0.12 0.00 0.02 0.00 0.00 54.13 55.70 1xq5 s LEU 2 Cb 0.00 -3.39 0.06 0.00 0.02 0.00 0.00 46.19 42.89 1xq5 s LEU 2 CO 0.00 0.09 1.16 -0.94 0.02 0.00 0.00 176.35 176.68 1xq5 s SER 3 N -0.60 4.73 0.41 2.29 1.04 -1.26 -4.88 113.70 115.43 1xq5 s SER 3 Ca 0.40 0.87 0.18 0.00 0.48 0.00 0.00 55.95 57.88 1xq5 s SER 3 Cb -0.23 -1.43 0.91 0.00 0.10 0.00 0.00 66.02 65.37 1xq5 s SER 3 CO 0.27 -1.77 1.87 0.28 0.98 0.00 0.00 173.24 174.86 1xq5 h SER 4 N -0.96 0.00 -0.23 7.02 0.02 -1.99 -1.40 113.55 116.00 1xq5 h SER 4 Ca -0.46 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.38 1xq5 h SER 4 Cb 1.31 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.84 1xq5 h SER 4 CO 0.65 0.30 -0.22 0.07 -1.14 0.00 0.00 176.83 176.49 1xq5 h LYS 5 N 0.00 0.70 -0.28 3.45 2.10 -2.00 -0.83 116.57 119.71 1xq5 h LYS 5 Ca -0.00 -0.27 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 1xq5 h LYS 5 Cb 0.64 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.92 1xq5 h LYS 5 CO 0.04 0.86 0.18 -0.44 -2.00 0.00 0.00 179.45 178.09 1xq5 h ASP 6 N 0.61 0.32 -0.84 7.07 3.32 -1.78 -1.98 116.42 123.14 1xq5 h ASP 6 Ca 0.09 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1xq5 h ASP 6 Cb 0.71 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.14 1xq5 h ASP 6 CO 0.05 0.24 0.44 0.11 -1.72 0.00 0.00 179.24 178.36 1xq5 h LYS 7 N 0.38 1.19 -0.39 3.56 1.57 -1.00 -1.50 116.57 120.37 1xq5 h LYS 7 Ca 0.10 -0.15 -0.15 0.00 -1.87 0.00 0.00 60.65 58.57 1xq5 h LYS 7 Cb -0.04 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 1xq5 h LYS 7 CO -0.02 0.89 -0.36 0.22 -0.57 0.00 0.00 179.45 179.61 1xq5 h ASP 8 N 1.18 0.98 -0.87 0.86 -0.00 -1.04 -0.56 116.42 116.96 1xq5 h ASP 8 Ca 0.29 -0.43 -0.01 0.00 -0.00 0.00 0.00 57.03 56.88 1xq5 h ASP 8 Cb 0.07 -0.27 -0.04 0.00 -0.00 0.00 0.00 39.33 39.08 1xq5 h ASP 8 CO -0.04 1.23 0.49 0.74 -0.00 0.00 0.00 179.24 181.66 1xq5 h THR 9 N 0.76 1.25 -0.26 2.25 2.02 -1.03 0.17 112.91 118.07 1xq5 h THR 9 Ca 0.07 -0.59 -0.07 0.00 0.77 0.00 0.00 66.41 66.58 1xq5 h THR 9 Cb 0.94 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1xq5 h THR 9 CO 0.09 0.27 -0.12 0.58 0.37 0.00 0.00 175.52 176.72 1xq5 h VAL 10 N 1.21 1.30 -0.54 3.16 2.07 -1.12 -1.55 116.25 120.79 1xq5 h VAL 10 Ca 0.31 -1.19 -0.09 0.00 0.82 0.00 0.00 66.70 66.55 1xq5 h VAL 10 Cb 0.00 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1xq5 h VAL 10 CO -0.05 0.37 -0.02 0.11 0.02 0.00 0.00 177.57 178.00 1xq5 h LYS 11 N 0.27 0.93 -0.18 1.57 1.57 -0.74 -1.00 116.57 118.99 1xq5 h LYS 11 Ca 0.06 -0.28 0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1xq5 h LYS 11 Cb 0.62 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 1xq5 h LYS 11 CO 0.04 0.93 -0.04 0.00 -0.57 0.00 0.00 179.45 179.81 1xq5 h ALA 12 N 1.12 0.12 -0.75 3.86 0.00 -0.60 -1.78 119.26 121.22 1xq5 h ALA 12 Ca 0.15 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1xq5 h ALA 12 Cb 0.53 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1xq5 h ALA 12 CO 0.03 -0.48 0.47 1.25 0.00 0.00 0.00 179.25 180.52 1xq5 h LEU 13 N 0.01 0.89 -1.15 0.00 5.85 -1.04 -2.10 115.31 117.76 1xq5 h LEU 13 Ca 0.08 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 1xq5 h LEU 13 Cb 0.13 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1xq5 h LEU 13 CO -0.18 0.68 0.02 -0.25 -0.34 0.00 0.00 178.44 178.37 1xq5 h TRP 14 N 1.03 0.63 -0.48 1.25 2.91 -0.95 -1.42 115.95 118.92 1xq5 h TRP 14 Ca 0.27 -0.07 -0.09 0.00 1.13 0.00 0.00 58.89 60.13 1xq5 h TRP 14 Cb -0.06 -0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 28.39 1xq5 h TRP 14 CO -0.01 0.60 -0.07 0.78 -1.03 0.00 0.00 178.44 178.71 1xq5 h GLY 15 N 0.88 0.96 1.64 2.65 0.00 -1.13 -3.20 103.07 104.87 1xq5 h GLY 15 Ca 0.12 -0.76 -0.05 0.00 0.00 0.00 0.00 47.33 46.65 1xq5 h GLY 15 CO 0.01 0.69 -0.03 0.50 0.00 0.00 0.00 176.54 177.71 1xq5 h LYS 16 N 0.74 0.45 -0.46 4.80 1.57 -0.64 -3.12 116.57 119.91 1xq5 h LYS 16 Ca 0.13 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1xq5 h LYS 16 Cb 0.60 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1xq5 h LYS 16 CO 0.04 0.50 0.00 0.44 -0.57 0.00 0.00 179.45 179.86 1xq5 n ILE 17 N -4.28 0.61 -0.37 1.86 -5.35 -0.62 -4.63 119.36 106.58 1xq5 n ILE 17 Ca 0.01 -0.65 -0.10 0.00 -0.27 0.00 0.00 62.75 61.74 1xq5 n ILE 17 Cb 0.25 0.40 -0.08 0.00 -1.74 0.00 0.00 39.64 38.47 1xq5 n ILE 17 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xq5 h ALA 18 N 4.00 -0.48 0.00 -1.28 0.00 -1.61 -0.86 119.26 119.03 1xq5 h ALA 18 Ca 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xq5 h ALA 18 Cb 0.69 1.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.76 1xq5 h ALA 18 CO 0.00 -0.93 -0.02 -0.44 0.00 0.00 0.00 179.25 177.86 1xq5 h ASP 19 N -0.06 0.00 -0.01 0.00 3.45 -1.89 -3.14 116.42 114.77 1xq5 h ASP 19 Ca 0.17 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.63 1xq5 h ASP 19 Cb 0.46 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.23 1xq5 h ASP 19 CO -0.89 0.02 -0.41 0.29 -1.57 0.00 0.00 179.24 176.67 1xq5 n LYS 20 N -3.12 1.43 -0.07 3.56 5.02 -0.60 -4.77 118.16 119.62 1xq5 n LYS 20 Ca 0.01 -0.92 -0.09 0.00 -2.02 0.00 0.00 58.31 55.29 1xq5 n LYS 20 Cb 0.36 -1.39 -0.02 0.00 -0.02 0.00 0.00 35.03 33.96 1xq5 n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xq5 h ALA 21 N 3.40 0.33 -0.51 7.82 0.00 -1.15 0.22 119.26 129.37 1xq5 h ALA 21 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1xq5 h ALA 21 Cb 0.67 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1xq5 h ALA 21 CO 0.00 -0.20 0.15 0.93 0.00 0.00 0.00 179.25 180.13 1xq5 h GLU 22 N 0.35 0.76 -0.11 0.00 5.08 -1.86 -0.82 114.58 117.98 1xq5 h GLU 22 Ca 0.10 -0.13 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 1xq5 h GLU 22 Cb -0.04 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 1xq5 h GLU 22 CO -0.02 0.67 -0.68 0.93 -1.00 0.00 0.00 179.01 178.90 1xq5 h GLU 23 N 0.74 0.46 -0.77 2.33 3.07 -1.77 -2.56 114.58 116.08 1xq5 h GLU 23 Ca 0.17 -0.35 0.02 0.00 -0.50 0.00 0.00 59.36 58.70 1xq5 h GLU 23 Cb 0.23 0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.16 1xq5 h GLU 23 CO -0.01 0.98 0.50 0.82 -1.40 0.00 0.00 179.01 179.89 1xq5 h ILE 24 N 0.32 1.14 -0.41 3.13 2.04 0.06 -1.49 117.51 122.31 1xq5 h ILE 24 Ca -0.02 -0.34 -0.11 0.00 1.00 0.00 0.00 64.86 65.39 1xq5 h ILE 24 Cb 1.25 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1xq5 h ILE 24 CO 0.12 0.18 -0.18 1.23 0.00 0.00 0.00 178.15 179.50 1xq5 h GLY 25 N 0.98 0.92 0.90 5.37 0.00 -0.97 -1.42 103.07 108.85 1xq5 h GLY 25 Ca 0.30 -0.81 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1xq5 h GLY 25 CO -0.10 0.74 0.10 1.48 0.00 0.00 0.00 176.54 178.76 1xq5 h SER 26 N 0.66 0.34 -0.60 0.19 4.64 -1.32 -1.90 113.55 115.55 1xq5 h SER 26 Ca 0.09 -0.16 -0.09 0.00 -0.47 0.00 0.00 61.79 61.16 1xq5 h SER 26 Cb 0.73 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.72 1xq5 h SER 26 CO 0.06 0.41 0.01 0.44 -0.87 0.00 0.00 176.83 176.87 1xq5 h ASP 27 N 0.24 1.04 -0.64 4.97 3.32 -1.16 -0.16 116.42 124.03 1xq5 h ASP 27 Ca 0.08 -0.30 0.01 0.00 0.02 0.00 0.00 57.03 56.83 1xq5 h ASP 27 Cb 0.18 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1xq5 h ASP 27 CO -0.01 1.09 0.42 0.00 -1.72 0.00 0.00 179.24 179.02 1xq5 h ALA 28 N 0.99 0.81 -0.54 3.45 0.00 -1.26 0.21 119.26 122.92 1xq5 h ALA 28 Ca 0.17 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1xq5 h ALA 28 Cb 0.55 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1xq5 h ALA 28 CO 0.03 0.24 0.14 1.25 0.00 0.00 0.00 179.25 180.91 1xq5 h LEU 29 N 0.87 0.81 -0.73 0.00 5.85 -1.20 -1.41 115.31 119.51 1xq5 h LEU 29 Ca 0.23 -0.23 0.09 0.00 0.84 0.00 0.00 57.88 58.82 1xq5 h LEU 29 Cb -0.10 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 40.65 1xq5 h LEU 29 CO -0.05 0.83 0.37 0.77 -0.34 0.00 0.00 178.44 180.02 1xq5 h SER 30 N 0.76 0.49 -0.66 1.25 4.64 -0.72 -2.08 113.55 117.23 1xq5 h SER 30 Ca 0.17 0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.49 1xq5 h SER 30 Cb 0.33 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.37 1xq5 h SER 30 CO 0.00 0.28 0.19 0.03 -0.87 0.00 0.00 176.83 176.46 1xq5 h ARG 31 N 0.63 1.04 -0.06 4.77 3.08 -0.74 -2.45 114.38 120.63 1xq5 h ARG 31 Ca 0.36 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1xq5 h ARG 31 Cb 0.37 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1xq5 h ARG 31 CO -0.27 0.91 0.03 1.98 -1.07 0.00 0.00 179.97 181.56 1xq5 h MET 32 N 0.97 0.07 -0.54 0.04 4.05 -0.61 0.80 114.93 119.70 1xq5 h MET 32 Ca 0.21 -0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.53 1xq5 h MET 32 Cb 0.32 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.08 1xq5 h MET 32 CO -0.00 0.05 -0.04 -0.07 0.23 0.00 0.00 176.91 177.07 1xq5 h LEU 33 N 0.07 0.95 0.23 3.39 3.38 -1.29 -0.12 115.31 121.91 1xq5 h LEU 33 Ca 0.03 -0.28 -0.33 0.00 0.09 0.00 0.00 57.88 57.39 1xq5 h LEU 33 Cb 0.00 -0.25 0.03 0.00 0.09 0.00 0.00 40.66 40.53 1xq5 h LEU 33 CO -0.02 1.03 -1.52 0.00 0.09 0.00 0.00 178.44 178.02 1xq5 h ALA 34 N 1.06 -0.06 0.02 1.53 0.00 -1.35 -3.24 119.26 117.22 1xq5 h ALA 34 Ca 0.15 -0.94 -0.22 0.00 0.00 0.00 0.00 54.91 53.90 1xq5 h ALA 34 Cb 0.57 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1xq5 h ALA 34 CO 0.03 0.77 -0.96 0.28 0.00 0.00 0.00 179.25 179.37 1xq5 h VAL 35 N 0.09 1.43 -2.20 0.00 2.07 -0.85 -3.38 116.25 113.41 1xq5 h VAL 35 Ca -0.28 -2.56 -0.58 0.00 0.82 0.00 0.00 66.70 64.10 1xq5 h VAL 35 Cb 2.11 2.49 -0.40 0.00 -1.52 0.00 0.00 31.29 33.96 1xq5 h VAL 35 CO 0.24 0.76 -0.84 -1.22 0.02 0.00 0.00 177.57 176.52 1xq5 n TYR 36 N -3.70 1.56 0.17 1.57 4.01 -0.06 -4.96 117.16 115.74 1xq5 n TYR 36 Ca -0.06 -3.85 0.10 0.00 -0.16 0.00 0.00 57.90 53.93 1xq5 n TYR 36 Cb 0.85 -0.41 0.55 0.00 -0.31 0.00 0.00 39.34 40.02 1xq5 n TYR 36 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1xq5 n PRO 37 N 1.34 0.13 -0.34 -0.72 -0.02 -1.22 -0.90 135.00 133.27 1xq5 n PRO 37 Ca 0.25 0.63 0.25 0.00 -2.02 0.00 0.00 63.50 62.61 1xq5 n PRO 37 Cb 0.46 -2.00 0.52 0.00 -0.02 0.00 0.00 33.50 32.46 1xq5 n PRO 37 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1xq5 h GLN 38 N 0.00 0.35 0.00 -0.52 4.20 -1.90 -1.64 115.11 115.60 1xq5 h GLN 38 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1xq5 h GLN 38 Cb 0.13 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1xq5 h GLN 38 CO 0.00 0.23 -0.12 0.25 -0.67 0.00 0.00 178.83 178.52 1xq5 n THR 39 N -4.68 0.10 -0.02 -0.54 -2.24 -0.08 -3.84 114.28 102.99 1xq5 n THR 39 Ca 0.28 -0.05 0.03 0.00 -2.27 0.00 0.00 64.05 62.03 1xq5 n THR 39 Cb 0.96 -0.37 0.39 0.00 -2.10 0.00 0.00 70.33 69.21 1xq5 n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1xq5 h LYS 40 N 0.00 0.58 -0.40 -0.78 1.57 -1.48 -2.68 116.57 113.38 1xq5 h LYS 40 Ca 0.00 -0.05 0.11 0.00 -1.87 0.00 0.00 60.65 58.85 1xq5 h LYS 40 Cb 0.55 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1xq5 h LYS 40 CO 0.00 0.42 0.33 0.00 -0.57 0.00 0.00 179.45 179.63 1xq5 h THR 41 N 0.59 0.60 0.00 -0.16 1.03 -1.76 -0.94 112.91 112.27 1xq5 h THR 41 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.56 1xq5 h THR 41 Cb -0.01 0.75 0.00 0.00 -1.07 0.00 0.00 68.15 67.83 1xq5 h THR 41 CO -0.03 0.00 0.00 1.88 -0.01 0.00 0.00 175.52 177.36 1xq5 h TYR 42 N 0.00 0.00 -0.07 0.00 0.05 -1.76 -3.26 116.97 111.92 1xq5 h TYR 42 Ca 0.19 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.89 1xq5 h TYR 42 Cb 0.85 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 38.50 1xq5 h TYR 42 CO 0.00 0.00 -0.61 1.19 -1.05 0.00 0.00 178.16 177.69 1xq5 n PHE 43 N -2.43 0.26 -0.30 4.88 3.72 -0.38 -4.75 117.46 118.46 1xq5 n PHE 43 Ca 0.04 -1.43 0.11 0.00 -0.05 0.00 0.00 57.45 56.12 1xq5 n PHE 43 Cb 0.35 -0.24 0.34 0.00 -0.94 0.00 0.00 39.48 38.99 1xq5 n PHE 43 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1xq5 h SER 44 N 1.13 0.73 0.00 4.37 4.64 -1.56 -0.45 113.55 122.41 1xq5 h SER 44 Ca -0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1xq5 h SER 44 Cb 1.18 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1xq5 h SER 44 CO 0.08 0.36 0.00 0.00 -0.87 0.00 0.00 176.83 176.40 1xq5 n HIS 45 N -4.60 0.00 -3.25 4.77 -0.00 -1.26 -4.72 115.22 106.16 1xq5 n HIS 45 Ca 0.19 -0.17 0.00 0.00 -0.00 0.00 0.00 57.72 57.74 1xq5 n HIS 45 Cb 0.46 -0.13 0.00 0.00 -0.00 0.00 0.00 29.99 30.32 1xq5 n HIS 45 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.34 177.25 1xq5 n TRP 46 N 0.58 -0.97 0.00 -1.40 8.01 -0.18 -5.09 117.44 118.39 1xq5 n TRP 46 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1xq5 n TRP 46 Cb 0.21 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.51 1xq5 n TRP 46 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1xq5 n LYS 47 N -0.32 0.83 -3.15 -0.99 4.76 -1.26 -5.04 118.16 112.98 1xq5 n LYS 47 Ca 0.00 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.48 1xq5 n LYS 47 Cb 0.00 -0.68 -0.01 0.00 -1.84 0.00 0.00 35.03 32.51 1xq5 n LYS 47 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1xq5 s ASP 48 N -2.38 -1.26 0.00 4.39 2.15 -1.26 -5.07 116.67 113.24 1xq5 s ASP 48 Ca 0.00 0.50 0.16 0.00 0.43 0.00 0.00 52.55 53.64 1xq5 s ASP 48 Cb 0.00 1.94 0.48 0.00 -0.30 0.00 0.00 42.92 45.04 1xq5 s ASP 48 CO 0.00 -0.23 1.38 0.18 -0.17 0.00 0.00 175.17 176.33 1xq5 n LEU 49 N 5.40 2.21 -4.74 -1.34 4.77 -1.26 -4.71 117.00 117.33 1xq5 n LEU 49 Ca 0.01 -1.05 -0.34 0.00 -0.03 0.00 0.00 56.01 54.60 1xq5 n LEU 49 Cb 0.53 -0.24 0.08 0.00 -2.33 0.00 0.00 43.42 41.46 1xq5 n LEU 49 CO -0.03 0.53 0.77 -0.94 -1.33 0.00 0.00 177.39 176.38 1xq5 s SER 50 N -1.18 4.54 0.87 -1.43 1.04 -1.26 -4.64 113.70 111.64 1xq5 s SER 50 Ca 0.30 2.20 -0.11 0.00 0.48 0.00 0.00 55.95 58.82 1xq5 s SER 50 Cb 0.16 -2.57 0.11 0.00 0.10 0.00 0.00 66.02 63.82 1xq5 s SER 50 CO 0.22 -2.03 1.09 -2.16 0.98 0.00 0.00 173.24 171.35 1xq5 s PRO 51 N -4.02 1.47 0.00 4.02 0.04 -1.26 -2.93 135.00 132.32 1xq5 s PRO 51 Ca 0.71 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1xq5 s PRO 51 Cb -0.25 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1xq5 s PRO 51 CO 0.44 -2.11 0.00 0.41 0.04 0.00 0.00 177.00 175.78 1xq5 n GLY 52 N -1.14 2.54 3.75 0.56 0.00 -1.26 -4.98 105.19 104.66 1xq5 n GLY 52 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1xq5 n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xq5 n SER 53 N 0.43 3.04 -0.29 1.61 3.41 -1.15 -4.81 113.62 115.86 1xq5 n SER 53 Ca 0.00 1.09 -0.02 0.00 -0.26 0.00 0.00 58.87 59.67 1xq5 n SER 53 Cb 0.00 -1.58 0.10 0.00 -0.26 0.00 0.00 64.21 62.47 1xq5 n SER 53 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xq5 h ALA 54 N 2.06 1.04 -0.51 7.33 0.00 -1.90 -0.84 119.26 126.44 1xq5 h ALA 54 Ca -0.50 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.28 1xq5 h ALA 54 Cb 1.28 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1xq5 h ALA 54 CO 0.60 0.31 -0.06 -1.35 0.00 0.00 0.00 179.25 178.75 1xq5 h PRO 55 N 0.98 0.94 -0.36 0.00 0.11 -1.91 -1.19 132.00 130.56 1xq5 h PRO 55 Ca 0.32 -0.33 -0.17 0.00 0.11 0.00 0.00 66.00 65.93 1xq5 h PRO 55 Cb 0.02 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.06 1xq5 h PRO 55 CO -0.12 0.99 -0.43 0.28 -0.21 0.00 0.00 178.00 178.52 1xq5 h VAL 56 N 0.80 1.27 -0.16 3.15 2.07 -1.81 0.48 116.25 122.05 1xq5 h VAL 56 Ca 0.14 -1.60 0.03 0.00 0.82 0.00 0.00 66.70 66.08 1xq5 h VAL 56 Cb 0.61 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 1xq5 h VAL 56 CO 0.04 0.53 -0.03 0.78 0.02 0.00 0.00 177.57 178.91 1xq5 h ASN 57 N 0.73 -0.13 0.53 0.57 4.21 -1.10 0.11 115.58 120.50 1xq5 h ASN 57 Ca 0.05 0.05 -0.17 0.00 1.21 0.00 0.00 56.30 57.44 1xq5 h ASN 57 Cb 1.02 0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 38.30 1xq5 h ASN 57 CO 0.10 -0.05 -0.73 0.11 -1.29 0.00 0.00 177.43 175.57 1xq5 h LYS 58 N 0.01 0.16 -0.02 0.81 6.56 -1.02 -2.58 116.57 120.49 1xq5 h LYS 58 Ca 0.08 -0.14 -0.18 0.00 -1.06 0.00 0.00 60.65 59.35 1xq5 h LYS 58 Cb 0.12 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.79 1xq5 h LYS 58 CO -0.16 0.82 -0.77 1.25 -2.06 0.00 0.00 179.45 178.52 1xq5 h HIS 59 N 0.11 0.26 -0.38 -1.35 2.76 -0.79 -2.78 115.15 112.98 1xq5 h HIS 59 Ca -0.02 -0.13 0.07 0.00 -2.20 0.00 0.00 60.37 58.10 1xq5 h HIS 59 Cb 1.29 -0.03 -0.07 0.00 1.55 0.00 0.00 27.41 30.15 1xq5 h HIS 59 CO 0.02 0.88 -0.04 0.78 -1.30 0.00 0.00 177.93 178.28 1xq5 h GLY 60 N 1.78 0.34 -0.38 5.26 0.00 -0.62 0.21 103.07 109.66 1xq5 h GLY 60 Ca -0.03 0.08 0.11 0.00 0.00 0.00 0.00 47.33 47.49 1xq5 h GLY 60 CO 0.12 -0.11 -0.29 0.50 0.00 0.00 0.00 176.54 176.75 1xq5 h LYS 61 N 0.06 -0.13 -0.10 4.80 1.57 -1.46 -1.62 116.57 119.69 1xq5 h LYS 61 Ca 0.19 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1xq5 h LYS 61 Cb 0.27 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1xq5 h LYS 61 CO -0.34 -0.08 0.06 1.15 -0.57 0.00 0.00 179.45 179.66 1xq5 h THR 62 N -0.13 1.01 -0.25 -0.16 2.02 -1.07 -0.12 112.91 114.20 1xq5 h THR 62 Ca 0.25 -0.04 0.06 0.00 0.77 0.00 0.00 66.41 67.44 1xq5 h THR 62 Cb 0.54 0.88 -0.06 0.00 -1.74 0.00 0.00 68.15 67.77 1xq5 h THR 62 CO -0.67 0.02 -0.11 0.40 0.37 0.00 0.00 175.52 175.53 1xq5 h ILE 63 N 0.12 0.65 -0.25 3.11 1.08 -0.79 -0.52 117.51 120.90 1xq5 h ILE 63 Ca 0.04 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.49 1xq5 h ILE 63 Cb 0.00 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 34.39 1xq5 h ILE 63 CO -0.02 0.00 0.05 0.24 -0.69 0.00 0.00 178.15 177.72 1xq5 h MET 64 N -0.06 0.36 -0.34 2.37 2.86 -1.12 -0.60 114.93 118.40 1xq5 h MET 64 Ca 0.13 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1xq5 h MET 64 Cb 0.26 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1xq5 h MET 64 CO -0.30 0.36 0.21 0.78 1.06 0.00 0.00 176.91 179.02 1xq5 h GLY 65 N 0.60 0.50 1.59 8.32 0.00 -0.28 -0.23 103.07 113.56 1xq5 h GLY 65 Ca 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1xq5 h GLY 65 CO -0.00 0.19 0.17 -1.33 0.00 0.00 0.00 176.54 175.58 1xq5 h GLY 66 N 0.45 0.57 1.59 4.60 0.00 0.31 -1.40 103.07 109.20 1xq5 h GLY 66 Ca 0.12 -0.26 -0.17 0.00 0.00 0.00 0.00 47.33 47.03 1xq5 h GLY 66 CO -0.02 0.25 -0.64 -2.22 0.00 0.00 0.00 176.54 173.90 1xq5 h ILE 67 N 0.54 1.36 -0.68 2.60 1.08 -0.85 -1.33 117.51 120.24 1xq5 h ILE 67 Ca 0.14 -1.98 -0.08 0.00 -0.39 0.00 0.00 64.86 62.54 1xq5 h ILE 67 Cb 0.08 1.97 -0.03 0.00 -3.07 0.00 0.00 36.82 35.77 1xq5 h ILE 67 CO -0.02 0.60 0.11 0.58 -0.69 0.00 0.00 178.15 178.73 1xq5 h VAL 68 N 0.30 1.26 -0.71 1.67 2.07 -0.53 0.59 116.25 120.90 1xq5 h VAL 68 Ca -0.01 -1.04 0.04 0.00 0.82 0.00 0.00 66.70 66.51 1xq5 h VAL 68 Cb 1.18 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 1xq5 h VAL 68 CO 0.11 0.39 0.43 -0.78 0.02 0.00 0.00 177.57 177.74 1xq5 h ASP 69 N 1.05 0.69 -0.70 0.57 3.58 -1.07 -0.99 116.42 119.55 1xq5 h ASP 69 Ca 0.21 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.64 1xq5 h ASP 69 Cb 0.44 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.33 1xq5 h ASP 69 CO 0.01 0.46 0.34 0.00 -2.88 0.00 0.00 179.24 177.17 1xq5 h ALA 70 N 1.33 0.90 -0.62 -0.78 0.00 -0.50 0.11 119.26 119.69 1xq5 h ALA 70 Ca 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1xq5 h ALA 70 Cb 0.09 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1xq5 h ALA 70 CO -0.14 0.46 0.34 0.28 0.00 0.00 0.00 179.25 180.19 1xq5 h VAL 71 N 0.97 1.20 -0.12 0.00 2.07 -0.16 0.17 116.25 120.37 1xq5 h VAL 71 Ca 0.24 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 1xq5 h VAL 71 Cb 0.11 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1xq5 h VAL 71 CO -0.03 0.21 -0.12 0.00 0.02 0.00 0.00 177.57 177.65 1xq5 h ALA 72 N 1.16 1.58 -0.53 1.67 0.00 -0.61 -2.61 119.26 119.92 1xq5 h ALA 72 Ca 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1xq5 h ALA 72 Cb 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1xq5 h ALA 72 CO -0.04 0.31 0.01 0.43 0.00 0.00 0.00 179.25 179.96 1xq5 n SER 73 N -4.30 5.39 0.31 0.00 7.64 -0.03 -4.70 113.62 117.93 1xq5 n SER 73 Ca -0.01 -2.97 0.19 0.00 1.01 0.00 0.00 58.87 57.09 1xq5 n SER 73 Cb 0.25 -0.67 1.02 0.00 -1.01 0.00 0.00 64.21 63.80 1xq5 n SER 73 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 1xq5 h ILE 74 N 3.56 0.13 0.00 0.44 2.10 -0.58 -0.88 117.51 122.27 1xq5 h ILE 74 Ca 0.01 0.00 -0.11 0.00 1.08 0.00 0.00 64.86 65.84 1xq5 h ILE 74 Cb 1.92 0.88 -0.02 0.00 -1.09 0.00 0.00 36.82 38.51 1xq5 h ILE 74 CO 0.46 0.00 -0.55 0.44 -1.08 0.00 0.00 178.15 177.43 1xq5 h ASP 75 N 0.00 0.00 -1.70 2.19 3.45 -1.86 -3.38 116.42 115.12 1xq5 h ASP 75 Ca 0.02 0.00 -0.33 0.00 0.43 0.00 0.00 57.03 57.15 1xq5 h ASP 75 Cb 0.27 0.00 -0.27 0.00 -0.56 0.00 0.00 39.33 38.76 1xq5 h ASP 75 CO -0.00 0.55 -0.67 -0.62 -1.57 0.00 0.00 179.24 176.92 1xq5 s ASP 76 N -6.57 0.27 0.18 6.45 3.68 -0.36 -5.02 116.67 115.31 1xq5 s ASP 76 Ca 0.01 -1.85 -0.11 0.00 2.13 0.00 0.00 52.55 52.73 1xq5 s ASP 76 Cb 0.11 0.84 0.09 0.00 -1.45 0.00 0.00 42.92 42.50 1xq5 s ASP 76 CO 0.73 -0.18 1.73 -0.07 0.13 0.00 0.00 175.17 177.52 1xq5 h LEU 77 N 6.26 0.89 -0.65 -1.34 3.38 -1.70 -2.41 115.31 119.73 1xq5 h LEU 77 Ca 0.10 -0.18 0.12 0.00 0.09 0.00 0.00 57.88 58.01 1xq5 h LEU 77 Cb 1.05 -0.23 -0.12 0.00 0.09 0.00 0.00 40.66 41.45 1xq5 h LEU 77 CO 0.18 0.83 -0.27 0.78 0.09 0.00 0.00 178.44 180.04 1xq5 h ASN 78 N 0.90 -0.97 -0.10 -0.43 4.21 -1.89 -0.42 115.58 116.89 1xq5 h ASN 78 Ca 0.21 0.22 -0.13 0.00 1.21 0.00 0.00 56.30 57.81 1xq5 h ASN 78 Cb 0.22 0.53 -0.01 0.00 -1.12 0.00 0.00 38.32 37.94 1xq5 h ASN 78 CO -0.02 -0.28 -0.38 0.00 -1.29 0.00 0.00 177.43 175.46 1xq5 h ALA 79 N 1.30 0.83 0.00 -0.83 0.00 -1.94 -3.26 119.26 115.37 1xq5 h ALA 79 Ca 0.28 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1xq5 h ALA 79 Cb 0.54 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1xq5 h ALA 79 CO -0.71 0.64 -0.43 0.78 0.00 0.00 0.00 179.25 179.53 1xq5 h GLY 80 N 1.02 0.00 -1.47 0.00 0.00 -0.77 -3.21 103.07 98.63 1xq5 h GLY 80 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1xq5 h GLY 80 CO 0.08 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.66 1xq5 n LEU 81 N -3.52 3.73 -0.17 3.11 4.77 -0.26 -4.75 117.00 119.91 1xq5 n LEU 81 Ca -0.00 -2.97 -0.08 0.00 -0.03 0.00 0.00 56.01 52.92 1xq5 n LEU 81 Cb 0.55 -0.52 0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1xq5 n LEU 81 CO 0.38 0.68 0.93 0.25 -1.33 0.00 0.00 177.39 178.30 1xq5 h LEU 82 N 1.68 0.68 -0.57 2.23 6.46 -1.59 0.27 115.31 124.48 1xq5 h LEU 82 Ca 0.00 -0.18 -0.08 0.00 -0.12 0.00 0.00 57.88 57.50 1xq5 h LEU 82 Cb 1.38 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 41.11 1xq5 h LEU 82 CO 0.20 0.68 0.06 0.00 -0.62 0.00 0.00 178.44 178.76 1xq5 h ALA 83 N 1.03 0.76 -0.76 1.25 0.00 -1.87 -0.46 119.26 119.21 1xq5 h ALA 83 Ca 0.16 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1xq5 h ALA 83 Cb 0.22 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1xq5 h ALA 83 CO -0.01 0.54 0.27 -0.07 0.00 0.00 0.00 179.25 179.99 1xq5 h LEU 84 N 0.86 1.07 0.10 0.00 3.38 -1.77 -1.04 115.31 117.91 1xq5 h LEU 84 Ca 0.17 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1xq5 h LEU 84 Cb 0.47 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1xq5 h LEU 84 CO 0.02 0.97 -0.32 -1.28 0.09 0.00 0.00 178.44 177.92 1xq5 h SER 85 N 1.11 -0.93 -0.84 -0.43 0.87 -0.17 -1.08 113.55 112.08 1xq5 h SER 85 Ca 0.25 0.11 0.11 0.00 -1.23 0.00 0.00 61.79 61.03 1xq5 h SER 85 Cb 0.26 0.36 -0.08 0.00 -0.44 0.00 0.00 62.40 62.49 1xq5 h SER 85 CO -0.01 -0.40 0.47 -0.33 -0.53 0.00 0.00 176.83 176.02 1xq5 h GLU 86 N -0.53 0.72 -0.31 2.24 4.39 -0.90 0.43 114.58 120.62 1xq5 h GLU 86 Ca 0.04 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1xq5 h GLU 86 Cb 0.57 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1xq5 h GLU 86 CO -0.20 0.48 0.20 1.25 -1.16 0.00 0.00 179.01 179.57 1xq5 h LEU 87 N 0.74 0.36 -0.45 1.33 5.85 -0.97 0.35 115.31 122.52 1xq5 h LEU 87 Ca 0.42 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.12 1xq5 h LEU 87 Cb 0.47 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1xq5 h LEU 87 CO -0.29 0.27 0.00 0.45 -0.34 0.00 0.00 178.44 178.54 1xq5 h HIS 88 N 0.41 0.00 0.00 1.25 3.86 -0.46 -1.61 115.15 118.60 1xq5 h HIS 88 Ca 0.11 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.20 1xq5 h HIS 88 Cb -0.03 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 1xq5 h HIS 88 CO -0.05 0.00 -0.65 0.00 0.86 0.00 0.00 177.93 178.09 1xq5 h ALA 89 N 2.08 0.13 0.00 2.45 0.00 -0.58 0.17 119.26 123.51 1xq5 h ALA 89 Ca 0.00 -0.85 -0.33 0.00 0.00 0.00 0.00 54.91 53.72 1xq5 h ALA 89 Cb 0.79 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 1xq5 h ALA 89 CO 0.00 0.37 -2.24 1.19 0.00 0.00 0.00 179.25 178.56 1xq5 n PHE 90 N -4.52 0.00 -0.01 0.00 3.01 0.12 -3.33 117.46 112.72 1xq5 n PHE 90 Ca -0.21 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.09 1xq5 n PHE 90 Cb 0.57 -0.84 -0.10 0.00 -0.01 0.00 0.00 39.48 39.10 1xq5 n PHE 90 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1xq5 h THR 91 N -0.06 1.43 0.00 4.37 2.02 -1.53 -3.36 112.91 115.78 1xq5 h THR 91 Ca -0.49 -1.93 -0.08 0.00 0.77 0.00 0.00 66.41 64.67 1xq5 h THR 91 Cb 1.74 2.49 -0.01 0.00 -1.74 0.00 0.00 68.15 70.62 1xq5 h THR 91 CO -0.10 0.56 -2.08 0.18 0.37 0.00 0.00 175.52 174.46 1xq5 n LEU 92 N -4.31 0.00 -2.74 2.58 4.77 -0.65 -5.05 117.00 111.60 1xq5 n LEU 92 Ca -0.09 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.81 1xq5 n LEU 92 Cb 0.60 0.11 0.01 0.00 -2.33 0.00 0.00 43.42 41.80 1xq5 n LEU 92 CO 0.44 0.11 -0.36 -2.11 -1.33 0.00 0.00 177.39 174.14 1xq5 n ARG 93 N -2.37 -0.53 -4.10 3.23 0.00 -1.17 -4.98 116.66 106.74 1xq5 n ARG 93 Ca -0.10 0.74 -0.35 0.00 -0.00 0.00 0.00 57.85 58.14 1xq5 n ARG 93 Cb 0.70 -0.98 -0.12 0.00 -0.00 0.00 0.00 32.46 32.06 1xq5 n ARG 93 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1xq5 s VAL 94 N -0.89 4.15 -0.19 8.89 1.01 0.60 -5.01 120.40 128.95 1xq5 s VAL 94 Ca 0.08 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 1xq5 s VAL 94 Cb -0.01 -2.87 -0.07 0.00 0.00 0.00 0.00 36.38 33.43 1xq5 s VAL 94 CO 0.17 0.44 2.16 -0.67 0.00 0.00 0.00 175.10 177.20 1xq5 n ASP 95 N 4.02 3.24 0.06 3.32 -0.08 -1.26 -4.82 116.55 121.04 1xq5 n ASP 95 Ca -0.17 0.40 0.21 0.00 -1.51 0.00 0.00 54.79 53.72 1xq5 n ASP 95 Cb 0.52 -1.49 0.71 0.00 2.34 0.00 0.00 41.12 43.20 1xq5 n ASP 95 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1xq5 h PRO 96 N 13.57 0.00 -0.37 -0.67 0.11 -1.97 0.45 132.00 143.12 1xq5 h PRO 96 Ca -0.41 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.81 1xq5 h PRO 96 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1xq5 h PRO 96 CO 0.97 0.00 0.46 0.00 -0.21 0.00 0.00 178.00 179.22 1xq5 h ALA 97 N 1.37 2.03 0.00 -0.75 0.00 -2.01 -1.75 119.26 118.14 1xq5 h ALA 97 Ca 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1xq5 h ALA 97 Cb 1.30 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1xq5 h ALA 97 CO -0.00 -0.65 -0.19 -0.91 0.00 0.00 0.00 179.25 177.49 1xq5 h ASN 98 N 0.00 0.00 -0.93 0.00 2.35 -0.47 -3.34 115.58 113.20 1xq5 h ASN 98 Ca 0.17 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.94 1xq5 h ASN 98 Cb 1.10 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.42 1xq5 h ASN 98 CO -0.00 0.03 0.61 -0.26 -1.65 0.00 0.00 177.43 176.16 1xq5 h PHE 99 N 0.00 1.15 -0.02 1.19 0.04 -1.48 -1.80 116.94 116.02 1xq5 h PHE 99 Ca -0.00 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.73 1xq5 h PHE 99 Cb 1.03 -0.39 -0.01 0.00 2.20 0.00 0.00 35.95 38.78 1xq5 h PHE 99 CO 0.00 0.70 -0.30 1.57 -0.60 0.00 0.00 178.31 179.69 1xq5 h LYS 100 N 1.22 0.03 -0.06 1.51 2.10 -1.74 -1.47 116.57 118.17 1xq5 h LYS 100 Ca 0.35 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.98 1xq5 h LYS 100 Cb -0.09 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.24 1xq5 h LYS 100 CO -0.09 0.33 0.01 0.82 -2.00 0.00 0.00 179.45 178.52 1xq5 h ILE 101 N 0.03 1.21 -0.60 0.07 2.04 -1.51 -1.36 117.51 117.40 1xq5 h ILE 101 Ca 0.00 -0.65 -0.07 0.00 1.00 0.00 0.00 64.86 65.14 1xq5 h ILE 101 Cb 0.54 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 1xq5 h ILE 101 CO 0.04 0.18 0.10 0.25 0.00 0.00 0.00 178.15 178.72 1xq5 h LEU 102 N -0.14 0.95 -0.39 1.44 5.85 -1.21 -1.29 115.31 120.52 1xq5 h LEU 102 Ca 0.02 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.52 1xq5 h LEU 102 Cb 0.28 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1xq5 h LEU 102 CO 0.00 0.97 0.17 0.28 -0.34 0.00 0.00 178.44 179.52 1xq5 h SER 103 N 0.89 0.22 -0.35 1.25 0.02 -1.25 -0.00 113.55 114.33 1xq5 h SER 103 Ca 0.18 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.20 1xq5 h SER 103 Cb 0.42 -0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 1xq5 h SER 103 CO 0.01 0.16 0.12 -0.74 -1.14 0.00 0.00 176.83 175.25 1xq5 h HIS 104 N 0.35 0.21 -0.63 3.45 -0.00 -0.94 -0.91 115.15 116.69 1xq5 h HIS 104 Ca 0.17 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.53 1xq5 h HIS 104 Cb 0.12 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 27.45 1xq5 h HIS 104 CO -0.12 0.09 0.28 0.00 -0.00 0.00 0.00 177.93 178.18 1xq5 h ILE 106 N 0.90 1.02 -0.71 0.00 2.04 -0.65 0.38 117.51 120.49 1xq5 h ILE 106 Ca 0.22 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 66.04 1xq5 h ILE 106 Cb 0.12 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 1xq5 h ILE 106 CO -0.03 0.02 0.46 -0.07 0.00 0.00 0.00 178.15 178.53 1xq5 h LEU 107 N 0.02 0.77 -0.14 1.44 3.38 -0.79 0.18 115.31 120.17 1xq5 h LEU 107 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xq5 h LEU 107 Cb 0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1xq5 h LEU 107 CO -0.00 0.54 0.08 0.58 0.09 0.00 0.00 178.44 179.73 1xq5 h VAL 108 N 0.91 1.02 -0.24 1.22 2.07 -0.69 -0.69 116.25 119.84 1xq5 h VAL 108 Ca 0.27 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.75 1xq5 h VAL 108 Cb -0.04 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1xq5 h VAL 108 CO -0.09 0.03 0.12 0.25 0.02 0.00 0.00 177.57 177.91 1xq5 h LEU 109 N 0.17 0.18 -1.40 2.57 7.12 -0.58 -2.03 115.31 121.34 1xq5 h LEU 109 Ca 0.05 0.01 0.06 0.00 0.13 0.00 0.00 57.88 58.13 1xq5 h LEU 109 Cb -0.01 -0.03 -0.04 0.00 -0.53 0.00 0.00 40.66 40.05 1xq5 h LEU 109 CO -0.02 0.14 0.46 -0.07 -0.13 0.00 0.00 178.44 178.82 1xq5 h LEU 110 N 0.26 0.65 -0.92 2.25 3.38 -0.50 -2.39 115.31 118.04 1xq5 h LEU 110 Ca 0.10 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 1xq5 h LEU 110 Cb 0.02 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1xq5 h LEU 110 CO -0.06 0.43 -0.15 0.00 0.09 0.00 0.00 178.44 178.74 1xq5 h ALA 111 N 1.62 1.09 0.00 1.53 0.00 -0.53 0.43 119.26 123.39 1xq5 h ALA 111 Ca 0.30 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1xq5 h ALA 111 Cb 0.23 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1xq5 h ALA 111 CO -0.10 0.56 -0.27 -0.39 0.00 0.00 0.00 179.25 179.06 1xq5 h VAL 112 N 0.56 0.69 0.00 0.00 -1.51 -0.86 -2.90 116.25 112.23 1xq5 h VAL 112 Ca 0.09 -1.19 -0.35 0.00 -1.23 0.00 0.00 66.70 64.02 1xq5 h VAL 112 Cb 0.59 1.77 -0.06 0.00 -2.13 0.00 0.00 31.29 31.45 1xq5 h VAL 112 CO 0.04 0.26 -2.33 0.29 -1.23 0.00 0.00 177.57 174.60 1xq5 n LYS 113 N -3.49 0.59 -2.61 5.19 4.76 -1.01 -4.68 118.16 116.91 1xq5 n LYS 113 Ca -0.00 0.13 -0.24 0.00 -2.87 0.00 0.00 58.31 55.33 1xq5 n LYS 113 Cb 0.43 -1.47 -0.00 0.00 -1.84 0.00 0.00 35.03 32.15 1xq5 n LYS 113 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1xq5 n PHE 114 N -3.18 3.06 0.28 2.13 3.72 0.15 -4.93 117.46 118.69 1xq5 n PHE 114 Ca -0.41 -3.24 0.15 0.00 -0.05 0.00 0.00 57.45 53.90 1xq5 n PHE 114 Cb 0.94 -0.20 0.88 0.00 -0.94 0.00 0.00 39.48 40.16 1xq5 n PHE 114 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1xq5 h PRO 115 N 2.72 0.00 0.00 -1.08 0.13 -1.68 0.10 132.00 132.20 1xq5 h PRO 115 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1xq5 h PRO 115 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1xq5 h PRO 115 CO 0.78 0.00 0.00 0.87 -0.23 0.00 0.00 178.00 179.42 1xq5 h LYS 116 N 0.00 0.00 -0.00 0.86 1.57 -1.91 -1.80 116.57 115.28 1xq5 h LYS 116 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1xq5 h LYS 116 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1xq5 h LYS 116 CO -0.00 0.00 -0.16 -0.25 -0.57 0.00 0.00 179.45 178.47 1xq5 n ASP 117 N -2.80 0.51 -3.62 0.86 10.43 0.35 -4.34 116.55 117.94 1xq5 n ASP 117 Ca 0.00 -0.50 -0.41 0.00 2.57 0.00 0.00 54.79 56.45 1xq5 n ASP 117 Cb 0.22 -0.05 0.01 0.00 1.84 0.00 0.00 41.12 43.15 1xq5 n ASP 117 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1xq5 n PHE 118 N -1.00 2.70 -1.48 1.24 3.01 -0.68 -4.56 117.46 116.68 1xq5 n PHE 118 Ca 0.13 -2.63 -0.31 0.00 1.01 0.00 0.00 57.45 55.65 1xq5 n PHE 118 Cb 0.30 -1.38 0.07 0.00 -0.01 0.00 0.00 39.48 38.46 1xq5 n PHE 118 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1xq5 s THR 119 N -3.35 3.63 0.23 4.37 -4.23 -1.26 -4.83 115.64 110.20 1xq5 s THR 119 Ca 0.43 0.53 -0.07 0.00 -1.18 0.00 0.00 61.69 61.40 1xq5 s THR 119 Cb 0.18 -3.21 0.19 0.00 1.34 0.00 0.00 72.50 71.00 1xq5 s THR 119 CO -0.11 -0.69 1.83 -0.65 -0.54 0.00 0.00 174.62 174.46 1xq5 h PRO 120 N -0.92 0.83 -0.23 3.99 0.11 -2.00 -1.11 132.00 132.67 1xq5 h PRO 120 Ca -0.45 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 1xq5 h PRO 120 Cb 1.23 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1xq5 h PRO 120 CO 0.56 0.55 -0.38 0.93 -0.21 0.00 0.00 178.00 179.45 1xq5 h GLU 121 N 0.85 0.52 0.04 1.05 5.08 -1.96 -1.22 114.58 118.94 1xq5 h GLU 121 Ca 0.35 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1xq5 h GLU 121 Cb 0.20 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1xq5 h GLU 121 CO -0.19 0.82 -0.02 0.28 -1.00 0.00 0.00 179.01 178.90 1xq5 h VAL 122 N 0.43 1.09 -0.62 3.13 2.07 -1.80 -2.45 116.25 118.10 1xq5 h VAL 122 Ca 0.04 -0.43 0.10 0.00 0.82 0.00 0.00 66.70 67.23 1xq5 h VAL 122 Cb 0.86 1.38 -0.08 0.00 -1.52 0.00 0.00 31.29 31.94 1xq5 h VAL 122 CO 0.07 0.11 0.23 -0.74 0.02 0.00 0.00 177.57 177.26 1xq5 h HIS 123 N -0.25 0.40 -0.39 1.57 -0.00 -1.03 -0.07 115.15 115.38 1xq5 h HIS 123 Ca -0.01 0.03 0.07 0.00 -0.00 0.00 0.00 60.37 60.47 1xq5 h HIS 123 Cb 0.22 -0.08 -0.06 0.00 -0.00 0.00 0.00 27.41 27.49 1xq5 h HIS 123 CO -0.01 0.09 -0.00 0.97 -0.00 0.00 0.00 177.93 178.97 1xq5 h ILE 124 N 0.40 0.70 -0.67 6.26 2.10 -1.16 0.17 117.51 125.32 1xq5 h ILE 124 Ca 0.32 -0.03 -0.00 0.00 1.08 0.00 0.00 64.86 66.22 1xq5 h ILE 124 Cb 0.41 0.59 -0.03 0.00 -1.09 0.00 0.00 36.82 36.70 1xq5 h ILE 124 CO -0.32 0.02 0.41 0.28 -1.08 0.00 0.00 178.15 177.45 1xq5 h SER 125 N 0.10 0.80 -0.58 2.19 0.02 -0.76 -1.22 113.55 114.09 1xq5 h SER 125 Ca 0.19 -0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 61.00 1xq5 h SER 125 Cb 0.27 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1xq5 h SER 125 CO -0.32 0.62 0.04 1.88 -1.14 0.00 0.00 176.83 177.90 1xq5 h TYR 126 N 0.91 1.07 -0.35 3.45 0.05 -0.46 -0.92 116.97 120.71 1xq5 h TYR 126 Ca 0.24 -0.17 -0.10 0.00 0.05 0.00 0.00 58.73 58.75 1xq5 h TYR 126 Cb -0.04 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.40 1xq5 h TYR 126 CO -0.02 0.95 -0.20 0.22 -1.05 0.00 0.00 178.16 178.06 1xq5 h ASP 127 N 0.88 0.67 -0.52 3.88 3.58 -0.43 -0.38 116.42 124.10 1xq5 h ASP 127 Ca 0.17 -0.22 -0.12 0.00 0.42 0.00 0.00 57.03 57.28 1xq5 h ASP 127 Cb 0.49 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 1xq5 h ASP 127 CO 0.02 0.86 -0.15 0.11 -2.88 0.00 0.00 179.24 177.21 1xq5 h LYS 128 N 0.59 1.02 0.25 0.28 1.57 -1.01 0.36 116.57 119.62 1xq5 h LYS 128 Ca 0.09 -0.40 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 1xq5 h LYS 128 Cb 0.66 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1xq5 h LYS 128 CO 0.05 1.08 -0.12 0.35 -0.57 0.00 0.00 179.45 180.24 1xq5 h PHE 129 N 0.90 -0.31 0.00 -1.35 3.57 -0.67 -1.11 116.94 117.97 1xq5 h PHE 129 Ca 0.13 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 1xq5 h PHE 129 Cb 0.72 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 1xq5 h PHE 129 CO 0.05 -0.11 -0.34 0.74 -2.23 0.00 0.00 178.31 176.42 1xq5 h PHE 130 N -0.44 0.00 -0.56 0.41 0.04 -0.98 -0.31 116.94 115.10 1xq5 h PHE 130 Ca -0.03 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.64 1xq5 h PHE 130 Cb 0.33 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 1xq5 h PHE 130 CO -0.03 0.34 -0.01 0.77 -0.60 0.00 0.00 178.31 178.78 1xq5 h SER 131 N 0.00 0.98 -0.11 2.17 0.02 -0.68 -1.95 113.55 113.98 1xq5 h SER 131 Ca -0.00 -0.31 -0.15 0.00 -0.84 0.00 0.00 61.79 60.48 1xq5 h SER 131 Cb 0.75 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 1xq5 h SER 131 CO 0.04 1.05 -0.46 0.00 -1.14 0.00 0.00 176.83 176.32 1xq5 h ALA 132 N 0.96 0.70 -0.44 3.77 0.00 -0.57 -0.56 119.26 123.13 1xq5 h ALA 132 Ca 0.16 -0.47 0.09 0.00 0.00 0.00 0.00 54.91 54.68 1xq5 h ALA 132 Cb 0.56 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.16 1xq5 h ALA 132 CO 0.03 0.67 -0.14 -0.07 0.00 0.00 0.00 179.25 179.74 1xq5 h LEU 133 N 0.54 -0.50 -0.41 0.00 -0.00 -1.04 0.16 115.31 114.06 1xq5 h LEU 133 Ca 0.03 0.14 -0.10 0.00 -0.00 0.00 0.00 57.88 57.95 1xq5 h LEU 133 Cb 1.01 0.31 -0.01 0.00 -0.00 0.00 0.00 40.66 41.96 1xq5 h LEU 133 CO 0.09 -0.17 -0.13 0.00 -0.00 0.00 0.00 178.44 178.23 1xq5 h ALA 134 N 1.36 0.57 -0.60 1.53 0.00 -0.84 -0.87 119.26 120.42 1xq5 h ALA 134 Ca 0.21 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1xq5 h ALA 134 Cb 0.36 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1xq5 h ALA 134 CO -0.47 0.47 0.02 0.00 0.00 0.00 0.00 179.25 179.28 1xq5 h ARG 135 N 0.63 1.03 -0.63 0.00 2.47 -0.87 -1.16 114.38 115.85 1xq5 h ARG 135 Ca 0.10 -0.30 0.03 0.00 -1.26 0.00 0.00 59.98 58.54 1xq5 h ARG 135 Cb 0.67 -0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 28.85 1xq5 h ARG 135 CO 0.05 0.99 0.39 0.00 0.56 0.00 0.00 179.97 181.96 1xq5 h ALA 136 N 1.07 0.82 0.00 0.04 0.00 -0.33 -2.56 119.26 118.30 1xq5 h ALA 136 Ca 0.18 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1xq5 h ALA 136 Cb 0.51 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1xq5 h ALA 136 CO 0.02 0.15 -0.34 -0.07 0.00 0.00 0.00 179.25 179.01 1xq5 h LEU 137 N 0.78 0.00 -0.59 0.00 3.38 -0.86 -2.37 115.31 115.65 1xq5 h LEU 137 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1xq5 h LEU 137 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1xq5 h LEU 137 CO -0.10 0.34 0.00 0.00 0.09 0.00 0.00 178.44 178.77 1xq5 h ALA 138 N 1.66 1.00 -0.97 1.53 0.00 -0.82 -3.39 119.26 118.26 1xq5 h ALA 138 Ca -0.00 0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.08 1xq5 h ALA 138 Cb 0.66 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 1xq5 h ALA 138 CO 0.04 0.00 0.61 0.93 0.00 0.00 0.00 179.25 180.84 1xq5 h GLU 139 N 0.00 0.70 -0.41 0.00 4.39 -1.09 -2.52 114.58 115.65 1xq5 h GLU 139 Ca 0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1xq5 h GLU 139 Cb 0.53 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1xq5 h GLU 139 CO 0.00 0.46 0.00 1.63 -1.16 0.00 0.00 179.01 179.94 1xq5 n LYS 140 N -4.66 2.07 0.10 2.33 4.76 -1.26 -4.36 118.16 117.14 1xq5 n LYS 140 Ca 0.21 -1.65 -0.02 0.00 -2.87 0.00 0.00 58.31 53.98 1xq5 n LYS 140 Cb 0.55 -1.39 0.22 0.00 -1.84 0.00 0.00 35.03 32.58 1xq5 n LYS 140 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 1xq5 h TYR 141 N 2.83 0.27 0.00 2.13 -1.99 -1.74 -3.47 116.97 114.99 1xq5 h TYR 141 Ca 0.00 -0.07 0.00 0.00 2.00 0.00 0.00 58.73 60.66 1xq5 h TYR 141 Cb 0.64 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 39.31 1xq5 h TYR 141 CO 0.27 0.62 0.00 2.89 -0.00 0.00 0.00 178.16 181.94