#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xq5 s VAL 2 N 0.00 1.41 -0.16 1.55 -7.23 -1.26 -5.03 120.40 109.68 1xq5 s VAL 2 Ca 0.00 -0.63 -0.12 0.00 -1.81 0.00 0.00 61.98 59.41 1xq5 s VAL 2 Cb 0.00 -1.26 -0.05 0.00 0.56 0.00 0.00 36.38 35.63 1xq5 s VAL 2 CO 0.00 0.42 0.24 0.26 -0.31 0.00 0.00 175.10 175.70 1xq5 s TRP 3 N 0.61 3.47 0.64 2.82 0.52 -1.26 -5.08 118.94 120.66 1xq5 s TRP 3 Ca -0.15 0.52 -0.18 0.00 0.02 0.00 0.00 56.10 56.31 1xq5 s TRP 3 Cb -0.16 -2.25 -0.02 0.00 -1.15 0.00 0.00 33.47 29.89 1xq5 s TRP 3 CO 0.05 0.31 1.27 0.99 0.02 0.00 0.00 176.95 179.59 1xq5 s THR 4 N 0.25 2.19 0.28 2.01 2.01 -1.26 -4.88 115.64 116.23 1xq5 s THR 4 Ca 0.14 0.12 -0.02 0.00 0.31 0.00 0.00 61.69 62.24 1xq5 s THR 4 Cb -0.12 -3.03 0.27 0.00 0.01 0.00 0.00 72.50 69.63 1xq5 s THR 4 CO 0.02 -0.03 1.91 0.44 -0.69 0.00 0.00 174.62 176.28 1xq5 h ASP 5 N 0.59 1.01 -0.88 3.53 3.45 -1.99 -0.21 116.42 121.93 1xq5 h ASP 5 Ca -0.51 -0.00 -0.02 0.00 0.43 0.00 0.00 57.03 56.93 1xq5 h ASP 5 Cb 1.33 -0.22 -0.04 0.00 -0.56 0.00 0.00 39.33 39.83 1xq5 h ASP 5 CO 0.53 0.68 0.49 0.15 -1.57 0.00 0.00 179.24 179.52 1xq5 h PHE 6 N 1.16 1.21 -0.13 4.55 3.04 -1.99 -2.16 116.94 122.62 1xq5 h PHE 6 Ca 0.39 -0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.28 1xq5 h PHE 6 Cb 0.08 -0.39 -0.00 0.00 2.56 0.00 0.00 35.95 38.20 1xq5 h PHE 6 CO -0.00 0.83 -0.07 0.93 -2.02 0.00 0.00 178.31 177.98 1xq5 h GLU 7 N 1.23 0.28 -0.37 1.11 5.08 -1.57 -1.88 114.58 118.46 1xq5 h GLU 7 Ca 0.31 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1xq5 h GLU 7 Cb 0.02 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1xq5 h GLU 7 CO -0.05 0.62 0.25 -0.09 -1.00 0.00 0.00 179.01 178.73 1xq5 h ARG 8 N -0.06 0.49 -0.39 2.33 2.43 -1.05 -2.11 114.38 116.02 1xq5 h ARG 8 Ca 0.03 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1xq5 h ARG 8 Cb 0.53 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1xq5 h ARG 8 CO 0.02 0.33 -0.02 0.00 -1.51 0.00 0.00 179.97 178.79 1xq5 h ALA 9 N 1.13 0.53 -0.03 2.80 0.00 -1.34 -2.89 119.26 119.46 1xq5 h ALA 9 Ca 0.14 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1xq5 h ALA 9 Cb -0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1xq5 h ALA 9 CO -0.03 0.33 -0.52 1.79 0.00 0.00 0.00 179.25 180.82 1xq5 h THR 10 N 0.53 1.37 -0.05 0.00 1.35 -1.07 0.41 112.91 115.44 1xq5 h THR 10 Ca 0.11 -1.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.18 1xq5 h THR 10 Cb 0.50 1.93 -0.00 0.00 -1.73 0.00 0.00 68.15 68.85 1xq5 h THR 10 CO 0.02 0.52 0.03 0.40 -0.25 0.00 0.00 175.52 176.24 1xq5 h ILE 11 N 0.06 1.03 -0.69 6.82 1.08 -1.37 0.20 117.51 124.65 1xq5 h ILE 11 Ca -0.00 -0.09 0.01 0.00 -0.39 0.00 0.00 64.86 64.39 1xq5 h ILE 11 Cb 0.94 1.00 -0.03 0.00 -3.07 0.00 0.00 36.82 35.66 1xq5 h ILE 11 CO 0.07 0.03 0.45 0.00 -0.69 0.00 0.00 178.15 178.01 1xq5 h ALA 12 N 0.99 0.87 -0.74 1.87 0.00 -1.35 -2.35 119.26 118.56 1xq5 h ALA 12 Ca 0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1xq5 h ALA 12 Cb 0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1xq5 h ALA 12 CO -0.00 0.30 0.31 0.22 0.00 0.00 0.00 179.25 180.08 1xq5 h ASP 13 N 0.93 1.00 0.10 0.00 3.58 -0.73 -1.95 116.42 119.35 1xq5 h ASP 13 Ca 0.25 -0.16 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 1xq5 h ASP 13 Cb -0.10 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.70 1xq5 h ASP 13 CO -0.05 0.89 -0.05 0.40 -2.88 0.00 0.00 179.24 177.55 1xq5 h ILE 14 N 1.05 0.98 -0.18 2.25 2.04 -0.27 -3.08 117.51 120.31 1xq5 h ILE 14 Ca 0.25 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 1xq5 h ILE 14 Cb 0.18 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1xq5 h ILE 14 CO -0.02 0.07 -0.13 -0.26 0.00 0.00 0.00 178.15 177.81 1xq5 h PHE 15 N -0.26 0.30 0.00 1.37 0.04 -1.37 -0.76 116.94 116.26 1xq5 h PHE 15 Ca -0.01 -0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 1xq5 h PHE 15 Cb 0.21 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.28 1xq5 h PHE 15 CO -0.03 0.41 -0.00 0.66 -0.60 0.00 0.00 178.31 178.75 1xq5 h SER 16 N 0.27 0.00 0.12 2.17 4.64 -1.26 -2.28 113.55 117.21 1xq5 h SER 16 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1xq5 h SER 16 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1xq5 h SER 16 CO 0.02 0.00 -0.63 0.29 -0.87 0.00 0.00 176.83 175.64 1xq5 n LYS 17 N -3.09 0.50 -3.49 4.77 5.02 -0.30 -4.95 118.16 116.62 1xq5 n LYS 17 Ca -0.02 -0.38 -0.37 0.00 -2.02 0.00 0.00 58.31 55.51 1xq5 n LYS 17 Cb 0.11 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.56 1xq5 n LYS 17 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xq5 s LEU 18 N -2.76 4.29 -0.38 -0.35 1.43 -0.86 -5.03 118.68 115.02 1xq5 s LEU 18 Ca 0.14 0.65 -0.29 0.00 -1.03 0.00 0.00 54.13 53.60 1xq5 s LEU 18 Cb 0.17 -2.47 0.01 0.00 0.03 0.00 0.00 46.19 43.94 1xq5 s LEU 18 CO 0.69 0.12 1.24 -0.62 0.23 0.00 0.00 176.35 178.02 1xq5 s ASP 19 N 0.21 6.62 0.28 2.29 -1.08 -1.26 -4.93 116.67 118.79 1xq5 s ASP 19 Ca 0.20 0.87 -0.02 0.00 -0.52 0.00 0.00 52.55 53.08 1xq5 s ASP 19 Cb -0.14 -2.54 0.38 0.00 -1.46 0.00 0.00 42.92 39.16 1xq5 s ASP 19 CO 0.07 -1.18 1.84 1.88 0.52 0.00 0.00 175.17 178.29 1xq5 h TYR 20 N 9.41 0.90 0.28 -5.34 0.99 -1.96 0.56 116.97 121.82 1xq5 h TYR 20 Ca -0.25 -0.07 -0.01 0.00 2.00 0.00 0.00 58.73 60.40 1xq5 h TYR 20 Cb 1.08 -0.27 0.00 0.00 1.00 0.00 0.00 36.73 38.55 1xq5 h TYR 20 CO 0.92 0.73 -0.14 1.49 -0.00 0.00 0.00 178.16 181.16 1xq5 h GLU 21 N 0.86 -0.37 -0.19 4.88 4.81 -1.92 0.25 114.58 122.91 1xq5 h GLU 21 Ca 0.20 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.50 1xq5 h GLU 21 Cb 0.25 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.64 1xq5 h GLU 21 CO -0.01 -0.04 -0.44 0.00 -0.73 0.00 0.00 179.01 177.79 1xq5 h ALA 22 N -0.18 -0.61 -0.34 2.92 0.00 -1.92 -0.86 119.26 118.28 1xq5 h ALA 22 Ca -0.04 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1xq5 h ALA 22 Cb 0.50 0.85 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1xq5 h ALA 22 CO 0.06 -0.94 -0.37 0.28 0.00 0.00 0.00 179.25 178.28 1xq5 h VAL 23 N -0.47 1.28 -0.06 0.00 2.07 -0.94 -2.46 116.25 115.68 1xq5 h VAL 23 Ca 0.08 -1.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.06 1xq5 h VAL 23 Cb 0.63 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1xq5 h VAL 23 CO -0.44 0.51 0.04 1.23 0.02 0.00 0.00 177.57 178.92 1xq5 h GLY 24 N 0.64 0.09 1.04 2.17 0.00 -0.43 0.16 103.07 106.74 1xq5 h GLY 24 Ca 0.05 -0.04 -0.06 0.00 0.00 0.00 0.00 47.33 47.28 1xq5 h GLY 24 CO 0.09 0.04 0.15 -1.33 0.00 0.00 0.00 176.54 175.48 1xq5 h GLY 25 N 0.04 1.11 0.97 4.60 0.00 -1.18 -0.67 103.07 107.94 1xq5 h GLY 25 Ca 0.02 -0.70 -0.09 0.00 0.00 0.00 0.00 47.33 46.56 1xq5 h GLY 25 CO -0.00 0.66 -0.11 0.00 0.00 0.00 0.00 176.54 177.08 1xq5 h ALA 26 N 1.05 0.53 0.15 3.60 0.00 -1.23 -1.48 119.26 121.87 1xq5 h ALA 26 Ca 0.20 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1xq5 h ALA 26 Cb 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1xq5 h ALA 26 CO 0.00 0.41 -0.07 1.15 0.00 0.00 0.00 179.25 180.74 1xq5 h THR 27 N 0.56 0.87 -0.19 0.00 2.02 -0.38 -0.97 112.91 114.81 1xq5 h THR 27 Ca 0.10 -0.04 -0.16 0.00 0.77 0.00 0.00 66.41 67.08 1xq5 h THR 27 Cb 0.63 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1xq5 h THR 27 CO 0.04 0.01 -0.54 0.25 0.37 0.00 0.00 175.52 175.65 1xq5 h LEU 28 N -0.21 0.63 -0.77 2.58 5.85 -1.09 -0.61 115.31 121.69 1xq5 h LEU 28 Ca -0.02 -0.33 -0.08 0.00 0.84 0.00 0.00 57.88 58.29 1xq5 h LEU 28 Cb 0.16 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1xq5 h LEU 28 CO 0.03 1.05 0.06 0.00 -0.34 0.00 0.00 178.44 179.24 1xq5 h ALA 29 N 0.97 0.98 -0.13 1.25 0.00 -1.27 -0.89 119.26 120.16 1xq5 h ALA 29 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1xq5 h ALA 29 Cb 1.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1xq5 h ALA 29 CO 0.10 0.64 0.07 -0.09 0.00 0.00 0.00 179.25 179.97 1xq5 h ARG 30 N 0.93 0.15 -0.70 0.00 9.65 -0.70 -1.69 114.38 122.02 1xq5 h ARG 30 Ca 0.18 -0.01 0.05 0.00 -1.10 0.00 0.00 59.98 59.10 1xq5 h ARG 30 Cb 0.45 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.95 1xq5 h ARG 30 CO 0.02 0.10 0.41 0.00 2.80 0.00 0.00 179.97 183.29 1xq5 h LEU 32 N 0.76 0.00 0.04 0.00 3.38 -0.73 -0.13 115.31 118.63 1xq5 h LEU 32 Ca 0.30 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.94 1xq5 h LEU 32 Cb 0.14 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1xq5 h LEU 32 CO -0.16 0.07 -1.88 -0.38 0.09 0.00 0.00 178.44 176.18 1xq5 n ILE 33 N -3.21 1.61 0.03 1.22 5.41 -0.68 -3.63 119.36 120.12 1xq5 n ILE 33 Ca 0.00 -0.37 -0.10 0.00 1.00 0.00 0.00 62.75 63.29 1xq5 n ILE 33 Cb 0.34 -1.83 0.04 0.00 -0.71 0.00 0.00 39.64 37.48 1xq5 n ILE 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1xq5 h VAL 34 N -0.51 1.35 -2.17 1.39 2.07 -0.92 -3.37 116.25 114.09 1xq5 h VAL 34 Ca -0.46 -1.98 -0.59 0.00 0.82 0.00 0.00 66.70 64.48 1xq5 h VAL 34 Cb 1.68 1.96 -0.41 0.00 -1.52 0.00 0.00 31.29 33.00 1xq5 h VAL 34 CO -0.13 0.60 -0.72 -1.22 0.02 0.00 0.00 177.57 176.12 1xq5 n TYR 35 N -3.89 2.65 0.11 1.57 4.01 -0.06 -5.00 117.16 116.55 1xq5 n TYR 35 Ca -0.04 -4.01 0.18 0.00 -0.16 0.00 0.00 57.90 53.87 1xq5 n TYR 35 Cb 0.66 -0.50 0.75 0.00 -0.31 0.00 0.00 39.34 39.93 1xq5 n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1xq5 h PRO 36 N 4.17 0.00 -0.01 -0.72 0.11 -1.74 -1.02 132.00 132.78 1xq5 h PRO 36 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1xq5 h PRO 36 Cb 0.72 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.83 1xq5 h PRO 36 CO 0.74 0.00 0.07 0.11 -0.21 0.00 0.00 178.00 178.71 1xq5 h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.91 -0.93 115.95 113.84 1xq5 h TRP 37 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.14 1xq5 h TRP 37 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.00 1xq5 h TRP 37 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.32 1xq5 h THR 38 N 0.00 0.00 -0.16 0.12 1.35 -1.51 -2.87 112.91 109.85 1xq5 h THR 38 Ca 0.01 -0.61 0.05 0.00 -0.55 0.00 0.00 66.41 65.30 1xq5 h THR 38 Cb 0.15 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 68.13 1xq5 h THR 38 CO -0.00 0.00 0.17 1.56 -0.25 0.00 0.00 175.52 177.00 1xq5 h GLN 39 N 0.00 0.00 -0.00 4.72 4.20 -1.36 -2.45 115.11 120.22 1xq5 h GLN 39 Ca 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1xq5 h GLN 39 Cb 0.67 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 1xq5 h GLN 39 CO 0.00 0.00 -0.23 0.07 -0.67 0.00 0.00 178.83 178.00 1xq5 h ARG 40 N 0.00 0.00 0.00 1.46 -0.00 -1.71 -1.39 114.38 112.74 1xq5 h ARG 40 Ca 0.07 -0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 60.04 1xq5 h ARG 40 Cb 0.40 -0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.37 1xq5 h ARG 40 CO -0.00 0.24 -0.09 1.88 -0.00 0.00 0.00 179.97 182.00 1xq5 h TYR 41 N 0.00 0.00 -1.28 4.08 0.05 -1.67 -3.17 116.97 114.98 1xq5 h TYR 41 Ca -0.00 0.00 -0.63 0.00 0.05 0.00 0.00 58.73 58.14 1xq5 h TYR 41 Cb 0.42 0.00 -0.36 0.00 1.01 0.00 0.00 36.73 37.79 1xq5 h TYR 41 CO 0.00 0.09 -0.04 1.19 -1.05 0.00 0.00 178.16 178.34 1xq5 n PHE 42 N -3.24 3.09 0.00 4.88 3.72 -0.52 -4.86 117.46 120.53 1xq5 n PHE 42 Ca 0.00 -2.67 0.22 0.00 -0.05 0.00 0.00 57.45 54.95 1xq5 n PHE 42 Cb 0.34 -0.68 0.72 0.00 -0.94 0.00 0.00 39.48 38.92 1xq5 n PHE 42 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1xq5 h GLY 43 N 2.42 0.00 -5.90 1.37 0.00 -1.62 -3.04 103.07 96.30 1xq5 h GLY 43 Ca 0.44 0.00 -0.74 0.00 0.00 0.00 0.00 47.33 47.03 1xq5 h GLY 43 CO 1.10 0.00 0.51 0.70 0.00 0.00 0.00 176.54 178.85 1xq5 n ASN 44 N -4.13 6.46 -0.02 0.19 5.03 -1.26 -4.60 115.26 116.93 1xq5 n ASN 44 Ca 0.10 -3.69 -0.04 0.00 0.87 0.00 0.00 54.58 51.82 1xq5 n ASN 44 Cb 0.67 -0.97 -0.02 0.00 -1.02 0.00 0.00 39.78 38.44 1xq5 n ASN 44 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1xq5 n PHE 45 N -0.14 0.00 0.00 3.10 3.01 -1.15 -5.11 117.46 117.17 1xq5 n PHE 45 Ca 0.42 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.88 1xq5 n PHE 45 Cb 0.30 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.62 1xq5 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xq5 n GLY 46 N 2.92 -0.62 3.63 1.37 0.00 -1.26 -4.71 105.19 106.51 1xq5 n GLY 46 Ca -0.08 0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1xq5 n GLY 46 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xq5 s ASN 47 N -4.00 6.89 -0.04 1.61 0.02 -1.26 -4.88 114.94 113.28 1xq5 s ASN 47 Ca 0.00 0.98 0.03 0.00 -1.02 0.00 0.00 52.86 52.86 1xq5 s ASN 47 Cb 0.00 -2.53 0.16 0.00 0.02 0.00 0.00 41.25 38.90 1xq5 s ASN 47 CO 0.00 -0.87 0.86 0.00 0.02 0.00 0.00 177.10 177.12 1xq5 n LEU 48 N 6.84 1.65 0.00 0.60 -0.00 -1.26 -4.55 117.00 120.28 1xq5 n LEU 48 Ca 0.11 -0.83 0.00 0.00 -0.00 0.00 0.00 56.01 55.29 1xq5 n LEU 48 Cb 0.47 -0.41 0.00 0.00 -0.00 0.00 0.00 43.42 43.48 1xq5 n LEU 48 CO 0.59 0.29 0.00 -1.22 -0.00 0.00 0.00 177.39 177.05 1xq5 n TYR 49 N 0.08 0.00 -0.82 1.47 4.01 -1.26 -5.04 117.16 115.59 1xq5 n TYR 49 Ca 0.06 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.46 1xq5 n TYR 49 Cb 0.35 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.49 1xq5 n TYR 49 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1xq5 n ASN 50 N 0.00 -2.94 0.15 7.72 2.85 -1.26 -4.79 115.26 116.99 1xq5 n ASN 50 Ca 0.00 0.21 0.14 0.00 -0.11 0.00 0.00 54.58 54.82 1xq5 n ASN 50 Cb 0.00 -1.05 0.67 0.00 1.24 0.00 0.00 39.78 40.65 1xq5 n ASN 50 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xq5 h ALA 51 N -1.51 2.19 -0.42 5.20 0.00 -1.98 -2.21 119.26 120.54 1xq5 h ALA 51 Ca -0.45 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 1xq5 h ALA 51 Cb 1.30 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1xq5 h ALA 51 CO 0.32 -0.28 -0.05 0.00 0.00 0.00 0.00 179.25 179.24 1xq5 h ALA 52 N 1.88 1.13 -0.32 0.00 0.00 -1.98 0.48 119.26 120.45 1xq5 h ALA 52 Ca 0.11 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 1xq5 h ALA 52 Cb 0.44 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1xq5 h ALA 52 CO -0.00 0.55 -0.35 0.00 0.00 0.00 0.00 179.25 179.45 1xq5 h ALA 53 N 1.29 0.78 -0.12 0.00 0.00 -1.72 -2.11 119.26 117.38 1xq5 h ALA 53 Ca 0.12 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1xq5 h ALA 53 Cb 0.48 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1xq5 h ALA 53 CO 0.02 0.65 -0.22 0.82 0.00 0.00 0.00 179.25 180.53 1xq5 h ILE 54 N 0.60 1.38 -0.35 0.00 2.04 -1.33 -2.83 117.51 117.01 1xq5 h ILE 54 Ca 0.06 -1.48 0.00 0.00 1.00 0.00 0.00 64.86 64.44 1xq5 h ILE 54 Cb 0.88 2.05 -0.02 0.00 -0.74 0.00 0.00 36.82 39.00 1xq5 h ILE 54 CO 0.08 0.43 0.23 0.24 0.00 0.00 0.00 178.15 179.13 1xq5 h MET 55 N -0.06 0.47 -0.42 2.37 2.86 -0.85 -2.34 114.93 116.96 1xq5 h MET 55 Ca 0.01 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1xq5 h MET 55 Cb 0.80 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1xq5 h MET 55 CO 0.05 0.32 0.00 0.41 1.06 0.00 0.00 176.91 178.74 1xq5 n GLY 56 N -1.46 1.70 3.65 8.32 0.00 -0.80 -4.95 105.19 111.64 1xq5 n GLY 56 Ca 0.02 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 1xq5 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xq5 s ASN 57 N -1.42 6.67 0.20 1.61 3.84 -0.88 -4.89 114.94 120.07 1xq5 s ASN 57 Ca 0.40 1.83 0.08 0.00 0.21 0.00 0.00 52.86 55.38 1xq5 s ASN 57 Cb 0.23 -2.53 0.09 0.00 -0.55 0.00 0.00 41.25 38.48 1xq5 s ASN 57 CO 0.31 -0.98 1.45 1.55 -2.79 0.00 0.00 177.10 176.64 1xq5 h PRO 58 N 9.46 0.03 -0.38 0.43 0.13 -1.91 -2.16 132.00 137.60 1xq5 h PRO 58 Ca -0.33 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 64.66 1xq5 h PRO 58 Cb 1.14 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1xq5 h PRO 58 CO 0.98 0.81 -0.22 0.52 -0.23 0.00 0.00 178.00 179.86 1xq5 h MET 59 N 0.02 0.74 -0.43 0.86 2.86 -1.90 -0.82 114.93 116.25 1xq5 h MET 59 Ca -0.01 -0.29 -0.07 0.00 -2.06 0.00 0.00 59.70 57.27 1xq5 h MET 59 Cb 1.41 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 33.02 1xq5 h MET 59 CO 0.11 0.89 0.02 0.82 1.06 0.00 0.00 176.91 179.81 1xq5 h ILE 60 N 0.65 1.26 -0.13 -1.22 2.04 -1.87 -1.09 117.51 117.14 1xq5 h ILE 60 Ca 0.09 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 1xq5 h ILE 60 Cb 0.72 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1xq5 h ILE 60 CO 0.05 0.34 0.07 0.00 0.00 0.00 0.00 178.15 178.62 1xq5 h ALA 61 N 0.91 0.17 -0.54 1.87 0.00 -1.17 -0.22 119.26 120.28 1xq5 h ALA 61 Ca 0.12 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.09 1xq5 h ALA 61 Cb 0.47 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.10 1xq5 h ALA 61 CO 0.02 -0.30 -0.20 -0.22 0.00 0.00 0.00 179.25 178.55 1xq5 h LYS 62 N 0.12 -0.07 -0.05 0.00 3.64 -1.11 -1.05 116.57 118.05 1xq5 h LYS 62 Ca 0.05 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.20 1xq5 h LYS 62 Cb 0.06 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1xq5 h LYS 62 CO -0.01 -0.05 -0.89 1.25 -2.27 0.00 0.00 179.45 177.49 1xq5 h HIS 63 N -0.07 0.83 -0.78 1.91 2.76 -0.89 -2.06 115.15 116.85 1xq5 h HIS 63 Ca 0.25 -0.41 0.15 0.00 -2.20 0.00 0.00 60.37 58.16 1xq5 h HIS 63 Cb 0.47 -0.11 -0.10 0.00 1.55 0.00 0.00 27.41 29.22 1xq5 h HIS 63 CO -0.51 1.23 0.34 0.78 -1.30 0.00 0.00 177.93 178.47 1xq5 h GLY 64 N 0.86 1.22 1.03 5.26 0.00 -0.86 -0.29 103.07 110.30 1xq5 h GLY 64 Ca -0.08 -0.17 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 1xq5 h GLY 64 CO 0.17 -0.09 0.07 -0.84 0.00 0.00 0.00 176.54 175.85 1xq5 h THR 65 N 0.49 1.26 -0.41 4.70 2.02 -0.91 -2.43 112.91 117.62 1xq5 h THR 65 Ca 0.43 -1.02 0.02 0.00 0.77 0.00 0.00 66.41 66.62 1xq5 h THR 65 Cb 0.65 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 1xq5 h THR 65 CO -0.40 0.37 0.23 0.74 0.37 0.00 0.00 175.52 176.83 1xq5 h THR 66 N 0.88 1.02 -0.34 3.16 2.02 -0.68 -1.09 112.91 117.88 1xq5 h THR 66 Ca 0.17 -0.16 0.06 0.00 0.77 0.00 0.00 66.41 67.26 1xq5 h THR 66 Cb 0.45 0.51 -0.06 0.00 -1.74 0.00 0.00 68.15 67.31 1xq5 h THR 66 CO 0.02 0.08 -0.04 0.40 0.37 0.00 0.00 175.52 176.35 1xq5 h ILE 67 N 0.46 0.70 -0.92 3.11 2.04 -0.84 -0.13 117.51 121.94 1xq5 h ILE 67 Ca 0.17 -0.02 0.02 0.00 1.00 0.00 0.00 64.86 66.03 1xq5 h ILE 67 Cb 0.03 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 1xq5 h ILE 67 CO -0.09 0.01 0.61 -0.07 0.00 0.00 0.00 178.15 178.60 1xq5 h LEU 68 N 0.05 1.04 -1.20 1.44 -0.00 -0.89 -0.64 115.31 115.11 1xq5 h LEU 68 Ca 0.17 -0.02 -0.07 0.00 -0.00 0.00 0.00 57.88 57.95 1xq5 h LEU 68 Cb 0.24 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.63 1xq5 h LEU 68 CO -0.31 0.74 -0.21 0.45 -0.00 0.00 0.00 178.44 179.11 1xq5 h HIS 69 N 1.22 0.31 -0.69 1.13 3.86 -0.93 -0.79 115.15 119.27 1xq5 h HIS 69 Ca 0.34 -0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 59.44 1xq5 h HIS 69 Cb -0.11 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.25 1xq5 h HIS 69 CO -0.01 0.49 0.19 0.78 0.86 0.00 0.00 177.93 180.24 1xq5 h GLY 70 N 0.92 1.15 0.99 2.45 0.00 0.11 -1.64 103.07 107.06 1xq5 h GLY 70 Ca 0.05 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 1xq5 h GLY 70 CO 0.04 0.65 0.30 1.41 0.00 0.00 0.00 176.54 178.93 1xq5 h LEU 71 N 1.03 0.73 -0.99 3.11 3.38 -0.79 -2.81 115.31 118.96 1xq5 h LEU 71 Ca 0.22 -0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.19 1xq5 h LEU 71 Cb 0.32 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.81 1xq5 h LEU 71 CO -0.00 0.62 0.62 -0.78 0.09 0.00 0.00 178.44 178.99 1xq5 h ASP 72 N 0.77 0.94 -0.72 -0.43 3.58 -0.74 -0.62 116.42 119.21 1xq5 h ASP 72 Ca 0.20 0.04 0.14 0.00 0.42 0.00 0.00 57.03 57.82 1xq5 h ASP 72 Cb 0.07 -0.16 -0.09 0.00 1.72 0.00 0.00 39.33 40.87 1xq5 h ASP 72 CO -0.03 0.53 0.25 -0.09 -2.88 0.00 0.00 179.24 177.03 1xq5 h ARG 73 N 1.03 0.38 -0.64 0.28 2.43 -1.04 0.75 114.38 117.58 1xq5 h ARG 73 Ca 0.47 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.54 1xq5 h ARG 73 Cb 0.38 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 1xq5 h ARG 73 CO -0.24 0.25 0.09 0.00 -1.51 0.00 0.00 179.97 178.57 1xq5 h ALA 74 N 1.54 0.96 -0.10 2.80 0.00 -1.11 -2.82 119.26 120.53 1xq5 h ALA 74 Ca 0.39 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1xq5 h ALA 74 Cb 0.60 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1xq5 h ALA 74 CO -0.41 0.65 -0.03 0.28 0.00 0.00 0.00 179.25 179.73 1xq5 h VAL 75 N 0.98 1.09 -0.01 0.00 2.07 -0.43 -0.62 116.25 119.33 1xq5 h VAL 75 Ca 0.19 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1xq5 h VAL 75 Cb 0.44 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1xq5 h VAL 75 CO 0.01 0.12 -0.08 0.29 0.02 0.00 0.00 177.57 177.93 1xq5 n LYS 76 N -4.41 0.99 -2.72 1.57 4.76 0.17 -4.13 118.16 114.38 1xq5 n LYS 76 Ca -0.01 -0.40 -0.06 0.00 -2.87 0.00 0.00 58.31 54.97 1xq5 n LYS 76 Cb 0.17 -1.49 0.04 0.00 -1.84 0.00 0.00 35.03 31.91 1xq5 n LYS 76 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1xq5 n ASN 77 N -0.65 1.29 -0.03 4.39 3.02 -0.30 -4.98 115.26 117.99 1xq5 n ASN 77 Ca 0.17 -2.45 0.18 0.00 -0.03 0.00 0.00 54.58 52.45 1xq5 n ASN 77 Cb 0.28 -0.43 0.64 0.00 -0.61 0.00 0.00 39.78 39.65 1xq5 n ASN 77 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 1xq5 h MET 78 N 2.78 0.11 -0.65 3.52 2.86 -1.54 0.27 114.93 122.28 1xq5 h MET 78 Ca -0.13 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1xq5 h MET 78 Cb 1.22 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.85 1xq5 h MET 78 CO 0.35 0.07 0.00 -0.25 1.06 0.00 0.00 176.91 178.15 1xq5 n ASP 79 N -4.41 4.74 -2.28 1.22 8.00 -1.26 -4.39 116.55 118.17 1xq5 n ASP 79 Ca 0.10 -2.50 -0.01 0.00 0.71 0.00 0.00 54.79 53.09 1xq5 n ASP 79 Cb 0.55 -0.59 0.06 0.00 -0.02 0.00 0.00 41.12 41.12 1xq5 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1xq5 n ASN 80 N 1.00 -0.08 -0.09 -2.24 5.15 0.07 -4.97 115.26 114.10 1xq5 n ASN 80 Ca 0.25 -2.09 -0.12 0.00 -0.60 0.00 0.00 54.58 52.02 1xq5 n ASN 80 Cb 0.91 0.11 -0.04 0.00 -0.53 0.00 0.00 39.78 40.23 1xq5 n ASN 80 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1xq5 h ILE 81 N 5.10 1.30 0.15 -1.44 2.04 -1.73 -2.51 117.51 120.43 1xq5 h ILE 81 Ca -0.34 -1.25 0.02 0.00 1.00 0.00 0.00 64.86 64.29 1xq5 h ILE 81 Cb 1.39 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.96 1xq5 h ILE 81 CO -0.05 0.39 -0.30 0.50 0.00 0.00 0.00 178.15 178.70 1xq5 h LYS 82 N 0.32 -0.52 -0.70 2.37 3.64 -1.91 -0.43 116.57 119.34 1xq5 h LYS 82 Ca 0.06 0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1xq5 h LYS 82 Cb 0.67 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.57 1xq5 h LYS 82 CO 0.04 -0.35 0.27 0.00 -2.27 0.00 0.00 179.45 177.15 1xq5 h ALA 83 N 0.12 1.15 -0.53 5.00 0.00 -1.95 -1.69 119.26 121.35 1xq5 h ALA 83 Ca 0.02 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1xq5 h ALA 83 Cb 0.55 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1xq5 h ALA 83 CO -0.15 0.61 0.35 1.15 0.00 0.00 0.00 179.25 181.21 1xq5 h THR 84 N 1.02 1.11 -0.56 0.00 2.02 -0.96 -1.40 112.91 114.12 1xq5 h THR 84 Ca 0.24 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1xq5 h THR 84 Cb 0.21 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1xq5 h THR 84 CO -0.02 0.12 0.00 -1.22 0.37 0.00 0.00 175.52 174.78 1xq5 n TYR 85 N -4.46 0.75 -0.17 3.16 4.02 -0.21 -4.66 117.16 115.58 1xq5 n TYR 85 Ca 0.05 -0.37 -0.03 0.00 -0.01 0.00 0.00 57.90 57.54 1xq5 n TYR 85 Cb 0.09 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.44 1xq5 n TYR 85 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xq5 h ALA 86 N 4.30 0.24 -0.17 -0.72 0.00 -0.34 0.24 119.26 122.81 1xq5 h ALA 86 Ca 0.00 0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.91 1xq5 h ALA 86 Cb 0.90 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1xq5 h ALA 86 CO 0.00 -0.50 -0.65 0.93 0.00 0.00 0.00 179.25 179.03 1xq5 h GLU 87 N -0.06 0.65 -0.48 0.00 4.39 -1.83 -2.71 114.58 114.55 1xq5 h GLU 87 Ca 0.25 -0.47 -0.00 0.00 0.34 0.00 0.00 59.36 59.48 1xq5 h GLU 87 Cb 0.44 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 1xq5 h GLU 87 CO -0.57 1.09 0.29 -0.07 -1.16 0.00 0.00 179.01 178.60 1xq5 h LEU 88 N 0.47 0.56 -0.42 1.33 3.38 -1.72 -1.39 115.31 117.52 1xq5 h LEU 88 Ca -0.02 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1xq5 h LEU 88 Cb 1.24 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 1xq5 h LEU 88 CO 0.13 0.43 0.13 -1.28 0.09 0.00 0.00 178.44 177.94 1xq5 h SER 89 N 0.65 0.62 -0.56 -0.43 0.87 -0.39 -0.80 113.55 113.50 1xq5 h SER 89 Ca 0.17 -0.20 0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1xq5 h SER 89 Cb -0.04 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.73 1xq5 h SER 89 CO -0.03 0.66 0.36 0.58 -0.53 0.00 0.00 176.83 177.87 1xq5 h VAL 90 N 0.54 1.12 0.09 2.23 2.07 -1.14 -0.42 116.25 120.74 1xq5 h VAL 90 Ca 0.14 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1xq5 h VAL 90 Cb 0.26 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1xq5 h VAL 90 CO -0.00 0.13 -0.04 0.25 0.02 0.00 0.00 177.57 177.93 1xq5 h LEU 91 N 0.74 -0.10 -0.00 2.57 6.46 -1.13 -0.13 115.31 123.72 1xq5 h LEU 91 Ca 0.21 -0.09 -0.25 0.00 -0.12 0.00 0.00 57.88 57.63 1xq5 h LEU 91 Cb -0.06 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 39.90 1xq5 h LEU 91 CO -0.06 0.03 -1.12 0.45 -0.62 0.00 0.00 178.44 177.12 1xq5 h HIS 92 N -0.22 0.55 0.00 1.25 3.86 -0.90 -0.46 115.15 119.23 1xq5 h HIS 92 Ca -0.01 -0.36 0.00 0.00 -1.16 0.00 0.00 60.37 58.84 1xq5 h HIS 92 Cb 0.18 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.61 1xq5 h HIS 92 CO -0.04 1.23 0.00 0.43 0.86 0.00 0.00 177.93 180.41 1xq5 n SER 93 N -3.63 0.00 -0.27 2.45 7.64 -0.19 -1.54 113.62 118.09 1xq5 n SER 93 Ca -0.08 0.27 0.09 0.00 1.01 0.00 0.00 58.87 60.16 1xq5 n SER 93 Cb 0.94 -0.34 0.33 0.00 -1.01 0.00 0.00 64.21 64.13 1xq5 n SER 93 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1xq5 h GLU 94 N 0.00 0.79 0.01 1.43 3.07 -1.17 -0.69 114.58 118.02 1xq5 h GLU 94 Ca 0.00 -0.05 -0.41 0.00 -0.50 0.00 0.00 59.36 58.40 1xq5 h GLU 94 Cb 0.00 -0.18 -0.06 0.00 -0.84 0.00 0.00 28.75 27.67 1xq5 h GLU 94 CO 0.00 0.52 -2.32 1.17 -1.40 0.00 0.00 179.01 176.98 1xq5 n LYS 95 N -4.53 0.60 0.04 2.33 4.81 -0.96 -4.62 118.16 115.84 1xq5 n LYS 95 Ca 0.15 0.29 0.04 0.00 -0.87 0.00 0.00 58.31 57.92 1xq5 n LYS 95 Cb 0.35 -1.55 -0.07 0.00 0.02 0.00 0.00 35.03 33.78 1xq5 n LYS 95 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1xq5 n LEU 96 N -4.07 0.72 -3.69 3.14 4.77 -0.20 -4.99 117.00 112.67 1xq5 n LEU 96 Ca -0.49 0.30 -0.23 0.00 -0.03 0.00 0.00 56.01 55.56 1xq5 n LEU 96 Cb 0.88 0.05 0.03 0.00 -2.33 0.00 0.00 43.42 42.05 1xq5 n LEU 96 CO 0.11 0.05 -0.08 1.41 -1.33 0.00 0.00 177.39 177.55 1xq5 n HIS 97 N -2.75 -1.92 -2.22 -1.77 8.25 -0.26 -4.92 115.22 109.63 1xq5 n HIS 97 Ca -0.07 0.75 -0.43 0.00 -0.26 0.00 0.00 57.72 57.71 1xq5 n HIS 97 Cb 0.74 -4.11 -0.02 0.00 1.12 0.00 0.00 29.99 27.72 1xq5 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1xq5 s VAL 98 N -3.65 3.80 -0.05 1.59 1.01 -0.59 -4.96 120.40 117.55 1xq5 s VAL 98 Ca 0.13 0.85 -0.38 0.00 0.00 0.00 0.00 61.98 62.58 1xq5 s VAL 98 Cb -0.04 -3.94 -0.16 0.00 0.00 0.00 0.00 36.38 32.24 1xq5 s VAL 98 CO 0.83 -0.50 1.49 -0.67 0.00 0.00 0.00 175.10 176.24 1xq5 n ASP 99 N 8.81 1.92 0.14 3.32 -0.08 -1.26 -4.81 116.55 124.58 1xq5 n ASP 99 Ca 0.18 1.10 0.11 0.00 -1.51 0.00 0.00 54.79 54.67 1xq5 n ASP 99 Cb 0.47 -1.17 0.51 0.00 2.34 0.00 0.00 41.12 43.27 1xq5 n ASP 99 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1xq5 n PRO 100 N 3.61 0.15 0.26 -0.67 -0.04 -1.26 -0.79 135.00 136.25 1xq5 n PRO 100 Ca 0.21 0.54 0.09 0.00 -0.04 0.00 0.00 63.50 64.30 1xq5 n PRO 100 Cb 0.17 -1.89 0.67 0.00 -0.04 0.00 0.00 33.50 32.40 1xq5 n PRO 100 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1xq5 h ASP 101 N 0.00 0.00 0.40 3.54 3.45 -2.01 -2.18 116.42 119.62 1xq5 h ASP 101 Ca 0.00 0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.34 1xq5 h ASP 101 Cb 0.15 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.91 1xq5 h ASP 101 CO 0.00 0.07 -0.52 0.78 -1.57 0.00 0.00 179.24 177.99 1xq5 h ASN 102 N 0.00 0.15 -0.67 6.45 2.35 -1.32 -1.02 115.58 121.53 1xq5 h ASN 102 Ca -0.00 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1xq5 h ASN 102 Cb 0.13 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 1xq5 h ASN 102 CO 0.01 0.65 0.37 -0.26 -1.65 0.00 0.00 177.43 176.55 1xq5 h PHE 103 N 0.11 0.93 -0.13 1.19 0.04 -1.52 -0.93 116.94 116.62 1xq5 h PHE 103 Ca 0.00 -0.02 -0.22 0.00 2.80 0.00 0.00 57.97 60.54 1xq5 h PHE 103 Cb 0.96 -0.30 0.01 0.00 2.20 0.00 0.00 35.95 38.82 1xq5 h PHE 103 CO 0.01 0.65 -0.79 0.87 -0.60 0.00 0.00 178.31 178.45 1xq5 h LYS 104 N 0.95 0.72 -0.20 1.51 1.79 -1.33 -0.76 116.57 119.26 1xq5 h LYS 104 Ca 0.24 -0.60 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 1xq5 h LYS 104 Cb 0.03 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 1xq5 h LYS 104 CO -0.04 1.21 0.13 -0.07 -1.08 0.00 0.00 179.45 179.60 1xq5 h LEU 105 N 0.49 0.23 -0.35 2.94 3.38 -1.03 -0.16 115.31 120.81 1xq5 h LEU 105 Ca -0.05 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1xq5 h LEU 105 Cb 1.41 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.08 1xq5 h LEU 105 CO 0.16 0.17 0.13 0.25 0.09 0.00 0.00 178.44 179.23 1xq5 h LEU 106 N 0.27 0.49 -0.92 1.67 5.85 -1.12 -2.05 115.31 119.49 1xq5 h LEU 106 Ca 0.07 -0.18 0.16 0.00 0.84 0.00 0.00 57.88 58.78 1xq5 h LEU 106 Cb -0.03 -0.13 -0.10 0.00 0.37 0.00 0.00 40.66 40.77 1xq5 h LEU 106 CO -0.02 0.53 0.52 0.28 -0.34 0.00 0.00 178.44 179.41 1xq5 h SER 107 N 0.41 0.65 -0.57 1.25 0.02 -0.93 -0.24 113.55 114.14 1xq5 h SER 107 Ca 0.11 0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 61.05 1xq5 h SER 107 Cb 0.21 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1xq5 h SER 107 CO -0.01 0.26 -0.05 0.44 -1.14 0.00 0.00 176.83 176.34 1xq5 h ASP 108 N 0.70 1.04 -0.45 3.07 3.32 -0.75 -0.53 116.42 122.83 1xq5 h ASP 108 Ca 0.51 -0.32 -0.09 0.00 0.02 0.00 0.00 57.03 57.16 1xq5 h ASP 108 Cb 0.74 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1xq5 h ASP 108 CO -0.37 1.11 -0.07 0.00 -1.72 0.00 0.00 179.24 178.20 1xq5 h LEU 110 N 0.67 0.04 -0.64 0.00 5.85 -0.78 -1.03 115.31 119.43 1xq5 h LEU 110 Ca 0.12 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.96 1xq5 h LEU 110 Cb 0.59 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.60 1xq5 h LEU 110 CO 0.04 0.05 0.28 0.74 -0.34 0.00 0.00 178.44 179.21 1xq5 h THR 111 N 0.16 0.82 -0.41 1.05 2.02 -0.94 0.54 112.91 116.15 1xq5 h THR 111 Ca 0.12 -0.17 -0.12 0.00 0.77 0.00 0.00 66.41 67.01 1xq5 h THR 111 Cb 0.11 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 1xq5 h THR 111 CO -0.14 0.09 -0.21 0.40 0.37 0.00 0.00 175.52 176.02 1xq5 h ILE 112 N 0.49 1.28 -0.77 3.11 2.04 -1.00 -0.34 117.51 122.32 1xq5 h ILE 112 Ca 0.32 -1.36 0.04 0.00 1.00 0.00 0.00 64.86 64.85 1xq5 h ILE 112 Cb 0.35 1.28 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 1xq5 h ILE 112 CO -0.28 0.46 0.48 0.58 0.00 0.00 0.00 178.15 179.39 1xq5 h VAL 113 N 0.68 1.10 -0.20 1.67 2.07 -0.66 -2.00 116.25 118.92 1xq5 h VAL 113 Ca 0.09 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1xq5 h VAL 113 Cb 0.78 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1xq5 h VAL 113 CO 0.06 0.17 0.05 0.58 0.02 0.00 0.00 177.57 178.46 1xq5 h VAL 114 N 0.93 1.20 -0.40 2.57 2.07 -0.72 -2.26 116.25 119.64 1xq5 h VAL 114 Ca 0.31 -0.64 0.08 0.00 0.82 0.00 0.00 66.70 67.28 1xq5 h VAL 114 Cb 0.04 1.24 -0.09 0.00 -1.52 0.00 0.00 31.29 30.96 1xq5 h VAL 114 CO -0.12 0.20 -0.24 0.00 0.02 0.00 0.00 177.57 177.43 1xq5 h ALA 115 N 0.87 0.02 -0.95 1.67 0.00 -0.99 0.32 119.26 120.20 1xq5 h ALA 115 Ca 0.06 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1xq5 h ALA 115 Cb 0.26 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 1xq5 h ALA 115 CO -0.00 -0.61 0.63 0.00 0.00 0.00 0.00 179.25 179.27 1xq5 h ALA 116 N 1.04 1.24 -0.03 0.00 0.00 -1.30 0.79 119.26 121.00 1xq5 h ALA 116 Ca 0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1xq5 h ALA 116 Cb 0.47 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1xq5 h ALA 116 CO -0.50 0.54 -0.09 0.37 0.00 0.00 0.00 179.25 179.56 1xq5 h GLN 117 N 1.24 0.12 0.01 0.00 4.15 -0.82 -3.36 115.11 116.44 1xq5 h GLN 117 Ca 0.37 -0.09 -0.22 0.00 0.77 0.00 0.00 58.65 59.48 1xq5 h GLN 117 Cb -0.05 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.62 1xq5 h GLN 117 CO -0.10 0.70 -1.06 -0.07 -1.93 0.00 0.00 178.83 176.36 1xq5 h LEU 118 N -0.44 0.02 0.00 -2.39 3.38 -0.31 -3.49 115.31 112.09 1xq5 h LEU 118 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1xq5 h LEU 118 Cb 0.71 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1xq5 h LEU 118 CO 0.02 1.02 0.00 0.61 0.09 0.00 0.00 178.44 180.18 1xq5 n GLY 119 N 1.37 0.76 0.24 0.83 0.00 0.26 -3.17 105.19 105.49 1xq5 n GLY 119 Ca -0.02 -0.82 0.17 0.00 0.00 0.00 0.00 46.02 45.35 1xq5 n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xq5 h LYS 120 N 0.00 0.00 0.00 1.61 1.57 -1.94 -0.24 116.57 117.57 1xq5 h LYS 120 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1xq5 h LYS 120 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1xq5 h LYS 120 CO 0.00 0.00 -0.06 0.00 -0.57 0.00 0.00 179.45 178.82 1xq5 h ALA 121 N 2.06 1.27 -0.95 3.86 0.00 -1.94 -3.32 119.26 120.24 1xq5 h ALA 121 Ca 0.00 -0.06 -0.75 0.00 0.00 0.00 0.00 54.91 54.10 1xq5 h ALA 121 Cb 0.28 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 17.91 1xq5 h ALA 121 CO 0.00 0.08 2.00 0.34 0.00 0.00 0.00 179.25 181.67 1xq5 n PHE 122 N -3.55 3.13 -1.83 0.00 7.35 -0.10 -4.85 117.46 117.60 1xq5 n PHE 122 Ca -0.02 -2.84 -0.29 0.00 -0.76 0.00 0.00 57.45 53.54 1xq5 n PHE 122 Cb 0.18 -1.99 0.12 0.00 0.35 0.00 0.00 39.48 38.14 1xq5 n PHE 122 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1xq5 s SER 123 N 1.10 4.03 0.27 -2.13 1.04 -1.25 -4.71 113.70 112.04 1xq5 s SER 123 Ca 0.40 0.71 -0.01 0.00 0.48 0.00 0.00 55.95 57.53 1xq5 s SER 123 Cb 0.09 -1.13 0.59 0.00 0.10 0.00 0.00 66.02 65.66 1xq5 s SER 123 CO 0.00 -2.20 1.69 1.23 0.98 0.00 0.00 173.24 174.94 1xq5 h GLY 124 N -1.26 1.27 1.44 7.32 0.00 -1.94 0.19 103.07 110.09 1xq5 h GLY 124 Ca -0.46 -0.10 -0.13 0.00 0.00 0.00 0.00 47.33 46.63 1xq5 h GLY 124 CO 0.60 -0.22 -0.36 0.83 0.00 0.00 0.00 176.54 177.39 1xq5 h GLU 125 N 0.34 0.63 -0.30 4.80 5.08 -1.97 -0.15 114.58 123.01 1xq5 h GLU 125 Ca 0.48 -0.30 -0.15 0.00 -1.00 0.00 0.00 59.36 58.39 1xq5 h GLU 125 Cb 0.86 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1xq5 h GLU 125 CO -0.52 0.89 -0.42 0.28 -1.00 0.00 0.00 179.01 178.24 1xq5 h VAL 126 N 0.53 1.29 -0.21 3.13 2.07 -1.70 -2.78 116.25 118.57 1xq5 h VAL 126 Ca 0.05 -1.60 -0.09 0.00 0.82 0.00 0.00 66.70 65.88 1xq5 h VAL 126 Cb 0.86 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1xq5 h VAL 126 CO 0.07 0.52 -0.27 -0.61 0.02 0.00 0.00 177.57 177.30 1xq5 h GLN 127 N 0.61 0.41 -0.49 1.57 4.15 -0.45 -1.02 115.11 119.89 1xq5 h GLN 127 Ca 0.04 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.30 1xq5 h GLN 127 Cb 0.98 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.62 1xq5 h GLN 127 CO 0.09 0.65 0.26 0.00 -1.93 0.00 0.00 178.83 177.90 1xq5 h ALA 128 N 1.35 0.63 -0.20 3.38 0.00 -0.76 -0.04 119.26 123.62 1xq5 h ALA 128 Ca 0.05 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 1xq5 h ALA 128 Cb 0.67 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1xq5 h ALA 128 CO 0.05 0.17 -0.59 0.00 0.00 0.00 0.00 179.25 178.88 1xq5 h ALA 129 N 1.10 0.35 -0.44 0.00 0.00 -1.29 -1.80 119.26 117.18 1xq5 h ALA 129 Ca 0.17 -0.53 0.02 0.00 0.00 0.00 0.00 54.91 54.57 1xq5 h ALA 129 Cb 0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1xq5 h ALA 129 CO -0.03 0.59 0.25 0.35 0.00 0.00 0.00 179.25 180.41 1xq5 h PHE 130 N 0.49 0.47 -0.57 0.00 3.04 -0.99 -1.39 116.94 117.98 1xq5 h PHE 130 Ca -0.02 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.90 1xq5 h PHE 130 Cb 1.21 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 39.55 1xq5 h PHE 130 CO 0.09 0.26 0.17 0.37 -2.02 0.00 0.00 178.31 177.18 1xq5 h GLN 131 N 0.50 0.87 -0.53 1.11 5.75 -1.00 0.25 115.11 122.07 1xq5 h GLN 131 Ca 0.18 -0.17 -0.07 0.00 -0.15 0.00 0.00 58.65 58.44 1xq5 h GLN 131 Cb 0.03 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.42 1xq5 h GLN 131 CO -0.09 0.76 0.05 -0.22 -2.65 0.00 0.00 178.83 176.68 1xq5 h LYS 132 N 0.84 0.90 0.14 1.69 3.64 -0.90 -1.37 116.57 121.52 1xq5 h LYS 132 Ca 0.19 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1xq5 h LYS 132 Cb 0.26 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1xq5 h LYS 132 CO -0.01 0.90 -0.07 0.35 -2.27 0.00 0.00 179.45 178.35 1xq5 h PHE 133 N 0.78 -0.19 -0.43 1.91 3.57 -0.73 -1.37 116.94 120.49 1xq5 h PHE 133 Ca 0.16 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1xq5 h PHE 133 Cb 0.46 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 1xq5 h PHE 133 CO 0.03 -0.12 0.26 -0.07 -2.23 0.00 0.00 178.31 176.19 1xq5 h LEU 134 N -0.20 0.50 -0.51 0.59 3.38 -0.85 -0.14 115.31 118.08 1xq5 h LEU 134 Ca -0.02 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1xq5 h LEU 134 Cb 0.15 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1xq5 h LEU 134 CO 0.03 0.38 0.15 0.28 0.09 0.00 0.00 178.44 179.37 1xq5 h SER 135 N 0.58 0.74 -0.24 -0.43 0.02 -0.69 0.15 113.55 113.69 1xq5 h SER 135 Ca 0.16 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1xq5 h SER 135 Cb -0.04 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1xq5 h SER 135 CO -0.03 0.76 0.12 0.58 -1.14 0.00 0.00 176.83 177.12 1xq5 h VAL 136 N 0.69 1.12 0.17 2.27 2.07 -0.69 -1.24 116.25 120.65 1xq5 h VAL 136 Ca 0.16 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1xq5 h VAL 136 Cb 0.28 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 1xq5 h VAL 136 CO -0.00 0.12 -0.35 0.58 0.02 0.00 0.00 177.57 177.94 1xq5 h VAL 137 N 0.27 0.27 -0.18 2.57 2.07 -0.81 -0.80 116.25 119.64 1xq5 h VAL 137 Ca 0.08 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.52 1xq5 h VAL 137 Cb 0.08 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1xq5 h VAL 137 CO -0.01 0.00 -0.27 0.58 0.02 0.00 0.00 177.57 177.88 1xq5 h VAL 138 N -0.61 1.26 -0.28 2.57 2.07 -0.96 -0.39 116.25 119.91 1xq5 h VAL 138 Ca 0.02 -1.24 -0.05 0.00 0.82 0.00 0.00 66.70 66.25 1xq5 h VAL 138 Cb 0.62 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1xq5 h VAL 138 CO -0.17 0.38 -0.03 -1.28 0.02 0.00 0.00 177.57 176.49 1xq5 h SER 139 N 0.30 0.51 0.94 0.57 0.87 -1.10 -2.06 113.55 113.58 1xq5 h SER 139 Ca 0.04 -0.34 -0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1xq5 h SER 139 Cb 0.65 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1xq5 h SER 139 CO 0.05 0.73 -0.01 0.00 -0.53 0.00 0.00 176.83 177.06 1xq5 h ALA 140 N 0.80 1.01 0.00 6.23 0.00 -0.56 -3.06 119.26 123.68 1xq5 h ALA 140 Ca 0.07 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 1xq5 h ALA 140 Cb 0.49 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1xq5 h ALA 140 CO 0.02 0.02 -0.95 -0.07 0.00 0.00 0.00 179.25 178.27 1xq5 h LEU 141 N 0.00 0.00-10.68 0.00 3.38 -0.84 -3.40 115.31 103.77 1xq5 h LEU 141 Ca -0.00 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.53 1xq5 h LEU 141 Cb 0.49 0.00 0.17 0.00 0.09 0.00 0.00 40.66 41.40 1xq5 h LEU 141 CO 0.00 0.55 0.33 -0.83 0.09 0.00 0.00 178.44 178.58 1xq5 s GLY 142 N -4.62 1.70 0.19 0.83 0.00 -0.79 -4.33 107.32 100.31 1xq5 s GLY 142 Ca 0.01 -1.07 -0.33 0.00 0.00 0.00 0.00 44.72 43.33 1xq5 s GLY 142 CO 0.78 -0.29 1.56 1.17 0.00 0.00 0.00 173.10 176.32 1xq5 n LYS 143 N -4.03 2.24 -3.43 2.90 4.81 -1.26 -4.89 118.16 114.50 1xq5 n LYS 143 Ca 0.14 0.80 -0.41 0.00 -0.87 0.00 0.00 58.31 57.98 1xq5 n LYS 143 Cb 0.59 -2.56 -0.10 0.00 0.02 0.00 0.00 35.03 32.99 1xq5 n LYS 143 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1xq5 s GLN 144 N 0.53 3.57 -0.02 1.64 -1.52 -1.26 -4.89 119.66 117.72 1xq5 s GLN 144 Ca 0.75 -0.44 0.21 0.00 -1.95 0.00 0.00 55.36 53.93 1xq5 s GLN 144 Cb -0.64 -3.80 -0.28 0.00 -0.22 0.00 0.00 33.01 28.07 1xq5 s GLN 144 CO 0.41 -0.50 0.65 0.66 -0.25 0.00 0.00 175.29 176.26 1xq5 n TYR 145 N 5.33 0.00 -0.57 0.91 4.01 -1.26 -5.18 117.16 120.40 1xq5 n TYR 145 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1xq5 n TYR 145 Cb 0.49 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 1xq5 n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12