#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xq8 s ASP 2 N 0.00 5.08 0.30 7.83 1.11 -1.26 -4.74 116.67 124.99 1xq8 s ASP 2 Ca 0.00 1.45 0.12 0.00 0.18 0.00 0.00 52.55 54.29 1xq8 s ASP 2 Cb 0.00 -2.51 0.63 0.00 1.07 0.00 0.00 42.92 42.11 1xq8 s ASP 2 CO 0.00 -2.33 1.24 0.52 1.18 0.00 0.00 175.17 175.78 1xq8 n VAL 3 N 7.80 0.61 -0.02 -1.27 0.31 -1.26 -0.56 118.33 123.95 1xq8 n VAL 3 Ca 0.31 0.73 -0.16 0.00 -0.01 0.00 0.00 64.34 65.21 1xq8 n VAL 3 Cb 0.49 -1.73 -0.12 0.00 -0.91 0.00 0.00 33.84 31.57 1xq8 n VAL 3 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1xq8 h PHE 4 N 0.00 0.25 -0.45 3.52 0.04 -2.00 -3.10 116.94 115.21 1xq8 h PHE 4 Ca 0.00 -0.16 0.09 0.00 2.80 0.00 0.00 57.97 60.70 1xq8 h PHE 4 Cb 0.64 -0.02 -0.08 0.00 2.20 0.00 0.00 35.95 38.69 1xq8 h PHE 4 CO 0.00 1.03 -0.07 0.52 -0.60 0.00 0.00 178.31 179.19 1xq8 h MET 5 N -0.59 0.04 0.13 1.51 2.86 -1.21 -0.36 114.93 117.31 1xq8 h MET 5 Ca -0.05 -0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1xq8 h MET 5 Cb 1.13 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.74 1xq8 h MET 5 CO 0.06 0.02 -0.40 0.87 1.06 0.00 0.00 176.91 178.52 1xq8 h LYS 6 N 0.04 -0.62 -0.72 1.72 1.57 -1.64 0.32 116.57 117.25 1xq8 h LYS 6 Ca 0.22 0.04 0.19 0.00 -1.87 0.00 0.00 60.65 59.23 1xq8 h LYS 6 Cb 0.33 0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 1xq8 h LYS 6 CO -0.43 -0.41 0.50 0.78 -0.57 0.00 0.00 179.45 179.32 1xq8 h GLY 7 N -0.64 0.20 0.27 3.86 0.00 -1.28 0.20 103.07 105.67 1xq8 h GLY 7 Ca 0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 1xq8 h GLY 7 CO -0.23 0.01 -0.02 -2.00 0.00 0.00 0.00 176.54 174.30 1xq8 h LEU 8 N 0.10 -0.05 -2.29 3.11 5.85 0.81 -2.73 115.31 120.12 1xq8 h LEU 8 Ca 0.35 -0.62 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 1xq8 h LEU 8 Cb 1.22 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1xq8 h LEU 8 CO -0.04 0.65 -0.04 -1.28 -0.34 0.00 0.00 178.44 177.39 1xq8 h SER 9 N -0.79 0.00 -0.05 1.25 0.87 0.51 -2.14 113.55 113.21 1xq8 h SER 9 Ca -0.01 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.30 1xq8 h SER 9 Cb 0.67 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.64 1xq8 h SER 9 CO 0.01 0.04 -0.96 0.50 -0.53 0.00 0.00 176.83 175.88 1xq8 h LYS 10 N 0.00 0.73 -0.22 2.24 3.64 -0.60 -3.05 116.57 119.31 1xq8 h LYS 10 Ca -0.00 -0.73 -0.04 0.00 -1.27 0.00 0.00 60.65 58.61 1xq8 h LYS 10 Cb 0.21 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1xq8 h LYS 10 CO 0.00 1.31 -0.02 0.00 -2.27 0.00 0.00 179.45 178.47 1xq8 h ALA 11 N 0.44 0.30 -0.65 5.00 0.00 -1.08 -2.63 119.26 120.65 1xq8 h ALA 11 Ca -0.11 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 54.72 1xq8 h ALA 11 Cb 1.61 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 1xq8 h ALA 11 CO 0.19 0.06 0.45 -0.22 0.00 0.00 0.00 179.25 179.72 1xq8 h LYS 12 N 0.16 0.24 -0.19 0.00 3.64 -1.53 0.23 116.57 119.13 1xq8 h LYS 12 Ca 0.06 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 1xq8 h LYS 12 Cb 0.45 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1xq8 h LYS 12 CO 0.02 0.16 -0.18 1.49 -2.27 0.00 0.00 179.45 178.67 1xq8 h GLU 13 N 0.25 0.33 0.14 1.90 4.81 -1.35 -1.89 114.58 118.76 1xq8 h GLU 13 Ca 0.31 -0.09 -0.22 0.00 -0.13 0.00 0.00 59.36 59.23 1xq8 h GLU 13 Cb 0.89 -0.04 0.02 0.00 0.63 0.00 0.00 28.75 30.25 1xq8 h GLU 13 CO -0.07 0.50 -0.93 0.78 -0.73 0.00 0.00 179.01 178.56 1xq8 h GLY 14 N 0.89 0.44 0.89 1.92 0.00 -0.53 -2.45 103.07 104.23 1xq8 h GLY 14 Ca 0.06 -1.04 0.06 0.00 0.00 0.00 0.00 47.33 46.40 1xq8 h GLY 14 CO 0.03 0.91 0.59 -2.08 0.00 0.00 0.00 176.54 175.99 1xq8 h VAL 15 N -0.18 1.09 -0.06 4.60 2.07 -1.08 0.11 116.25 122.81 1xq8 h VAL 15 Ca -0.15 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 1xq8 h VAL 15 Cb 1.70 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1xq8 h VAL 15 CO 0.18 0.19 -0.13 0.58 0.02 0.00 0.00 177.57 178.40 1xq8 h VAL 16 N 1.05 1.43 -0.99 2.57 2.07 -1.40 -1.92 116.25 119.06 1xq8 h VAL 16 Ca 0.38 -1.49 0.05 0.00 0.82 0.00 0.00 66.70 66.47 1xq8 h VAL 16 Cb 0.15 2.27 -0.06 0.00 -1.52 0.00 0.00 31.29 32.13 1xq8 h VAL 16 CO -0.14 0.41 0.64 0.00 0.02 0.00 0.00 177.57 178.51 1xq8 h ALA 17 N 0.46 1.39 -0.18 1.67 0.00 -0.96 -0.64 119.26 121.00 1xq8 h ALA 17 Ca -0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1xq8 h ALA 17 Cb 0.73 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1xq8 h ALA 17 CO 0.03 0.49 -0.33 0.00 0.00 0.00 0.00 179.25 179.43 1xq8 h ALA 18 N 1.44 1.10 0.39 0.00 0.00 -0.75 -2.88 119.26 118.57 1xq8 h ALA 18 Ca 0.41 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1xq8 h ALA 18 Cb 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1xq8 h ALA 18 CO -0.15 0.57 -0.19 0.00 0.00 0.00 0.00 179.25 179.48 1xq8 h ALA 19 N 1.34 -0.53 -0.90 0.00 0.00 -0.30 0.41 119.26 119.27 1xq8 h ALA 19 Ca 0.04 -0.15 0.17 0.00 0.00 0.00 0.00 54.91 54.96 1xq8 h ALA 19 Cb 0.74 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 18.64 1xq8 h ALA 19 CO 0.06 -0.73 0.48 0.93 0.00 0.00 0.00 179.25 179.98 1xq8 h GLU 20 N -0.67 0.61 0.28 0.00 5.08 -1.36 0.89 114.58 119.42 1xq8 h GLU 20 Ca -0.05 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1xq8 h GLU 20 Cb 0.48 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1xq8 h GLU 20 CO 0.09 0.41 -0.13 -0.22 -1.00 0.00 0.00 179.01 178.15 1xq8 h LYS 21 N 0.63 -0.36 -0.56 2.33 3.64 -1.27 -1.53 116.57 119.45 1xq8 h LYS 21 Ca 0.51 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 60.00 1xq8 h LYS 21 Cb 0.77 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.64 1xq8 h LYS 21 CO -0.39 -0.02 0.38 1.15 -2.27 0.00 0.00 179.45 178.30 1xq8 h THR 22 N -0.92 0.90 0.00 1.00 2.02 0.37 0.18 112.91 116.46 1xq8 h THR 22 Ca -0.04 -0.13 -0.12 0.00 0.77 0.00 0.00 66.41 66.90 1xq8 h THR 22 Cb 0.50 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1xq8 h THR 22 CO 0.06 0.07 -0.56 0.50 0.37 0.00 0.00 175.52 175.95 1xq8 h LYS 23 N 0.37 0.00 0.00 6.66 3.64 0.85 -2.90 116.57 125.19 1xq8 h LYS 23 Ca 0.26 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.54 1xq8 h LYS 23 Cb 0.54 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1xq8 h LYS 23 CO -0.07 0.56 -0.65 0.37 -2.27 0.00 0.00 179.45 177.40 1xq8 h GLN 24 N 0.00 0.00 -0.00 1.90 4.15 0.33 -3.18 115.11 118.30 1xq8 h GLN 24 Ca -0.01 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 1xq8 h GLN 24 Cb 1.07 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.76 1xq8 h GLN 24 CO 0.07 0.36 -0.01 0.78 -1.93 0.00 0.00 178.83 178.10 1xq8 h GLY 25 N 3.64 0.01 1.68 2.39 0.00 -0.76 -3.05 103.07 106.97 1xq8 h GLY 25 Ca -0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1xq8 h GLY 25 CO 0.05 0.01 0.19 -0.39 0.00 0.00 0.00 176.54 176.41 1xq8 h VAL 26 N -0.56 1.09 0.21 4.60 -1.51 -1.63 -0.75 116.25 117.71 1xq8 h VAL 26 Ca 0.00 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 1xq8 h VAL 26 Cb 0.58 0.64 -0.02 0.00 -2.13 0.00 0.00 31.29 30.37 1xq8 h VAL 26 CO 0.00 0.10 -0.21 0.00 -1.23 0.00 0.00 177.57 176.23 1xq8 h ALA 27 N 1.77 -0.43 -0.39 5.19 0.00 -1.51 0.11 119.26 124.00 1xq8 h ALA 27 Ca 0.12 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1xq8 h ALA 27 Cb -0.02 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1xq8 h ALA 27 CO -0.02 -0.77 -0.18 0.93 0.00 0.00 0.00 179.25 179.20 1xq8 h GLU 28 N -0.46 0.74 -0.68 0.00 5.08 -1.36 -2.89 114.58 115.01 1xq8 h GLU 28 Ca -0.00 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 58.10 1xq8 h GLU 28 Cb 0.43 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 1xq8 h GLU 28 CO -0.05 0.87 0.45 0.00 -1.00 0.00 0.00 179.01 179.28 1xq8 h ALA 29 N 1.14 0.87 0.35 3.43 0.00 -0.67 -0.15 119.26 124.23 1xq8 h ALA 29 Ca 0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xq8 h ALA 29 Cb 0.67 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1xq8 h ALA 29 CO 0.05 0.26 -0.50 0.00 0.00 0.00 0.00 179.25 179.06 1xq8 h ALA 30 N 1.26 -1.05 -0.02 0.00 0.00 -0.57 0.23 119.26 119.11 1xq8 h ALA 30 Ca 0.26 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1xq8 h ALA 30 Cb -0.07 0.77 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1xq8 h ALA 30 CO -0.07 -1.14 0.02 0.78 0.00 0.00 0.00 179.25 178.84 1xq8 h GLY 31 N -0.89 0.00 0.79 0.00 0.00 -1.47 -1.85 103.07 99.65 1xq8 h GLY 31 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.21 1xq8 h GLY 31 CO -0.15 0.00 -0.23 1.70 0.00 0.00 0.00 176.54 177.86 1xq8 h LYS 32 N 0.00 0.44 0.00 4.80 3.64 0.69 -2.82 116.57 123.32 1xq8 h LYS 32 Ca 0.01 -0.26 -0.02 0.00 -1.27 0.00 0.00 60.65 59.11 1xq8 h LYS 32 Cb 0.05 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1xq8 h LYS 32 CO -0.00 0.85 -0.09 1.15 -2.27 0.00 0.00 179.45 179.09 1xq8 h THR 33 N 0.07 0.40 -0.55 1.00 2.02 0.16 -2.14 112.91 113.87 1xq8 h THR 33 Ca 0.02 -0.47 -0.05 0.00 0.77 0.00 0.00 66.41 66.68 1xq8 h THR 33 Cb 0.80 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.51 1xq8 h THR 33 CO 0.05 0.09 0.14 0.50 0.37 0.00 0.00 175.52 176.67 1xq8 h LYS 34 N 0.00 0.85 0.00 6.66 3.64 -1.12 -2.12 116.57 124.48 1xq8 h LYS 34 Ca -0.00 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 1xq8 h LYS 34 Cb 0.32 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1xq8 h LYS 34 CO 0.01 0.76 -0.16 1.49 -2.27 0.00 0.00 179.45 179.28 1xq8 h GLU 35 N 0.82 0.00 0.48 1.90 4.81 -1.38 -3.33 114.58 117.87 1xq8 h GLU 35 Ca 0.18 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1xq8 h GLU 35 Cb 0.29 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1xq8 h GLU 35 CO -0.00 0.03 -0.37 0.78 -0.73 0.00 0.00 179.01 178.73 1xq8 h GLY 36 N 3.97 -0.92 1.38 1.92 0.00 -1.14 -1.61 103.07 106.66 1xq8 h GLY 36 Ca -0.00 0.41 0.08 0.00 0.00 0.00 0.00 47.33 47.82 1xq8 h GLY 36 CO 0.00 -0.33 0.24 -0.39 0.00 0.00 0.00 176.54 176.07 1xq8 h VAL 37 N -0.83 0.87 -3.34 4.60 -1.51 -1.67 -3.38 116.25 110.98 1xq8 h VAL 37 Ca -0.05 -0.03 -0.60 0.00 -1.23 0.00 0.00 66.70 64.79 1xq8 h VAL 37 Cb 0.71 0.78 -0.09 0.00 -2.13 0.00 0.00 31.29 30.56 1xq8 h VAL 37 CO 0.01 0.02 0.41 -0.22 -1.23 0.00 0.00 177.57 176.56 1xq8 s LEU 38 N -8.99 4.08 0.84 4.19 2.96 -0.61 -5.03 118.68 116.12 1xq8 s LEU 38 Ca -0.06 0.92 -0.11 0.00 -0.22 0.00 0.00 54.13 54.67 1xq8 s LEU 38 Cb 0.19 -3.12 0.10 0.00 0.50 0.00 0.00 46.19 43.85 1xq8 s LEU 38 CO 0.71 -0.51 1.10 -0.31 -1.32 0.00 0.00 176.35 176.02 1xq8 s TYR 39 N 2.82 2.25 -0.37 5.38 1.51 -1.26 -4.87 117.35 122.81 1xq8 s TYR 39 Ca 0.33 1.57 0.03 0.00 -1.01 0.00 0.00 57.07 57.99 1xq8 s TYR 39 Cb -0.15 -3.14 0.15 0.00 -0.11 0.00 0.00 41.96 38.71 1xq8 s TYR 39 CO 0.08 -2.20 0.34 0.08 -1.11 0.00 0.00 175.55 172.74 1xq8 s VAL 40 N -2.83 -0.19 -0.43 0.71 1.01 -1.26 -4.97 120.40 112.44 1xq8 s VAL 40 Ca 0.63 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1xq8 s VAL 40 Cb -0.19 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.40 1xq8 s VAL 40 CO 0.57 -0.72 0.71 0.61 0.00 0.00 0.00 175.10 176.28 1xq8 n GLY 41 N 4.06 -0.21 0.10 4.51 0.00 -1.26 -0.44 105.19 111.94 1xq8 n GLY 41 Ca 0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 1xq8 n GLY 41 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1xq8 h SER 42 N 0.00 0.26 -1.73 1.61 0.87 -2.03 -3.39 113.55 109.15 1xq8 h SER 42 Ca 0.00 -0.95 -0.69 0.00 -1.23 0.00 0.00 61.79 58.91 1xq8 h SER 42 Cb 0.56 -0.08 -0.14 0.00 -0.44 0.00 0.00 62.40 62.30 1xq8 h SER 42 CO 0.00 1.25 1.48 -0.75 -0.53 0.00 0.00 176.83 178.28 1xq8 s LYS 43 N -2.34 3.89 0.51 2.24 2.20 0.41 -4.90 119.74 121.74 1xq8 s LYS 43 Ca -0.17 -2.04 -0.01 0.00 -0.36 0.00 0.00 55.97 53.39 1xq8 s LYS 43 Cb -0.00 -5.20 0.01 0.00 -1.51 0.00 0.00 37.83 31.13 1xq8 s LYS 43 CO 0.76 -1.96 0.76 0.99 -0.36 0.00 0.00 175.35 175.54 1xq8 s THR 44 N 3.00 3.61 0.13 3.43 2.01 -1.26 -4.86 115.64 121.70 1xq8 s THR 44 Ca 0.44 -0.40 -0.28 0.00 0.31 0.00 0.00 61.69 61.76 1xq8 s THR 44 Cb -0.01 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 1xq8 s THR 44 CO -0.01 -0.29 1.59 0.11 -0.69 0.00 0.00 174.62 175.32 1xq8 h LYS 45 N 0.16 -0.44 -0.98 4.92 1.57 -1.98 0.26 116.57 120.08 1xq8 h LYS 45 Ca -0.45 0.03 0.26 0.00 -1.87 0.00 0.00 60.65 58.61 1xq8 h LYS 45 Cb 1.26 0.10 -0.07 0.00 0.08 0.00 0.00 32.23 33.61 1xq8 h LYS 45 CO 0.57 -0.29 0.67 1.49 -0.57 0.00 0.00 179.45 181.31 1xq8 h GLU 46 N -0.46 0.25 -0.41 3.15 4.81 -1.99 0.38 114.58 120.31 1xq8 h GLU 46 Ca 0.09 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.17 1xq8 h GLU 46 Cb 0.61 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1xq8 h GLU 46 CO -0.40 0.17 -0.28 0.78 -0.73 0.00 0.00 179.01 178.55 1xq8 h GLY 47 N 0.26 0.95 0.86 1.92 0.00 -0.88 -2.63 103.07 103.54 1xq8 h GLY 47 Ca 0.51 -0.87 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 1xq8 h GLY 47 CO -0.15 0.79 0.02 -2.08 0.00 0.00 0.00 176.54 175.12 1xq8 h VAL 48 N 0.74 1.24 -0.97 4.60 2.07 0.82 -1.89 116.25 122.86 1xq8 h VAL 48 Ca 0.09 -0.83 0.09 0.00 0.82 0.00 0.00 66.70 66.87 1xq8 h VAL 48 Cb 0.83 1.30 -0.07 0.00 -1.52 0.00 0.00 31.29 31.83 1xq8 h VAL 48 CO 0.07 0.26 0.62 0.58 0.02 0.00 0.00 177.57 179.13 1xq8 h VAL 49 N 0.23 0.99 0.00 2.57 2.07 -1.24 0.12 116.25 120.98 1xq8 h VAL 49 Ca 0.07 -0.35 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 1xq8 h VAL 49 Cb 0.37 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1xq8 h VAL 49 CO 0.01 0.19 -0.38 -0.74 0.02 0.00 0.00 177.57 176.67 1xq8 h HIS 50 N 1.02 0.00 0.57 1.57 6.17 -1.17 -2.38 115.15 120.92 1xq8 h HIS 50 Ca 0.45 0.00 -0.03 0.00 0.71 0.00 0.00 60.37 61.50 1xq8 h HIS 50 Cb 0.36 0.00 0.01 0.00 2.52 0.00 0.00 27.41 30.30 1xq8 h HIS 50 CO -0.00 0.38 -0.27 0.78 0.71 0.00 0.00 177.93 179.52 1xq8 h GLY 51 N 1.67 -0.80 1.21 5.26 0.00 0.03 -1.87 103.07 108.57 1xq8 h GLY 51 Ca -0.00 0.30 0.11 0.00 0.00 0.00 0.00 47.33 47.73 1xq8 h GLY 51 CO 0.05 -0.29 0.29 -0.39 0.00 0.00 0.00 176.54 176.20 1xq8 h VAL 52 N -1.13 0.81 -0.26 4.60 -1.51 -1.46 0.10 116.25 117.41 1xq8 h VAL 52 Ca -0.08 -0.01 -0.11 0.00 -1.23 0.00 0.00 66.70 65.27 1xq8 h VAL 52 Cb 0.59 0.78 -0.01 0.00 -2.13 0.00 0.00 31.29 30.52 1xq8 h VAL 52 CO 0.13 0.00 -0.31 0.00 -1.23 0.00 0.00 177.57 176.16 1xq8 h ALA 53 N 1.80 0.98 -0.01 5.19 0.00 -1.30 -2.32 119.26 123.59 1xq8 h ALA 53 Ca 0.19 -0.39 -0.23 0.00 0.00 0.00 0.00 54.91 54.49 1xq8 h ALA 53 Cb 0.73 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.42 1xq8 h ALA 53 CO -0.01 0.60 -0.88 1.15 0.00 0.00 0.00 179.25 180.11 1xq8 h THR 54 N 0.46 1.33 0.00 0.00 2.02 0.01 -3.08 112.91 113.65 1xq8 h THR 54 Ca 0.06 -2.17 -0.01 0.00 0.77 0.00 0.00 66.41 65.06 1xq8 h THR 54 Cb 0.77 2.42 -0.00 0.00 -1.74 0.00 0.00 68.15 69.60 1xq8 h THR 54 CO 0.06 0.66 -0.04 0.58 0.37 0.00 0.00 175.52 177.15 1xq8 h VAL 55 N 0.24 0.26 0.00 3.16 2.07 -1.16 -0.95 116.25 119.87 1xq8 h VAL 55 Ca -0.11 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 1xq8 h VAL 55 Cb 1.55 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 1xq8 h VAL 55 CO 0.17 0.04 -0.25 0.00 0.02 0.00 0.00 177.57 177.55 1xq8 h ALA 56 N 1.96 1.00 0.08 1.67 0.00 -1.32 -2.07 119.26 120.58 1xq8 h ALA 56 Ca -0.00 -0.23 -0.28 0.00 0.00 0.00 0.00 54.91 54.40 1xq8 h ALA 56 Cb 0.19 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 17.97 1xq8 h ALA 56 CO 0.00 0.32 -1.13 0.93 0.00 0.00 0.00 179.25 179.37 1xq8 h GLU 57 N 0.00 0.63 -0.35 0.00 5.08 -1.24 -3.29 114.58 115.42 1xq8 h GLU 57 Ca -0.00 -0.78 -0.17 0.00 -1.00 0.00 0.00 59.36 57.41 1xq8 h GLU 57 Cb 0.80 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 1xq8 h GLU 57 CO 0.03 1.35 -0.43 0.87 -1.00 0.00 0.00 179.01 179.83 1xq8 h LYS 58 N 0.26 0.89 -0.74 2.33 1.57 -1.50 -2.75 116.57 116.63 1xq8 h LYS 58 Ca -0.16 -0.50 0.21 0.00 -1.87 0.00 0.00 60.65 58.33 1xq8 h LYS 58 Cb 1.80 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 34.11 1xq8 h LYS 58 CO 0.22 1.14 0.66 1.15 -0.57 0.00 0.00 179.45 182.05 1xq8 h THR 59 N 0.72 0.37 -0.22 -0.16 2.02 -1.44 0.39 112.91 114.59 1xq8 h THR 59 Ca 0.05 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 67.02 1xq8 h THR 59 Cb 1.02 0.50 0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1xq8 h THR 59 CO 0.10 0.00 -0.67 0.11 0.37 0.00 0.00 175.52 175.43 1xq8 h LYS 60 N 0.00 0.84 0.00 6.66 1.57 -1.56 -2.17 116.57 121.91 1xq8 h LYS 60 Ca 0.35 -0.61 -0.03 0.00 -1.87 0.00 0.00 60.65 58.49 1xq8 h LYS 60 Cb 1.67 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 34.08 1xq8 h LYS 60 CO -0.00 1.23 -0.14 0.93 -0.57 0.00 0.00 179.45 180.90 1xq8 h GLU 61 N 0.61 0.00 0.01 3.15 5.08 -0.32 -2.60 114.58 120.51 1xq8 h GLU 61 Ca -0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1xq8 h GLU 61 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1xq8 h GLU 61 CO 0.14 0.14 -0.00 0.37 -1.00 0.00 0.00 179.01 178.66 1xq8 h GLN 62 N 0.00 -0.01 -0.92 2.33 4.15 -1.18 -3.00 115.11 116.47 1xq8 h GLN 62 Ca -0.00 0.00 0.24 0.00 0.77 0.00 0.00 58.65 59.66 1xq8 h GLN 62 Cb 0.64 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.28 1xq8 h GLN 62 CO 0.02 -0.01 0.64 -0.39 -1.93 0.00 0.00 178.83 177.16 1xq8 h VAL 63 N -0.89 0.59 -0.17 2.39 -1.51 -1.46 0.83 116.25 116.03 1xq8 h VAL 63 Ca -0.00 -0.06 -0.03 0.00 -1.23 0.00 0.00 66.70 65.38 1xq8 h VAL 63 Cb 0.01 0.39 -0.01 0.00 -2.13 0.00 0.00 31.29 29.55 1xq8 h VAL 63 CO 0.00 0.03 0.01 0.71 -1.23 0.00 0.00 177.57 177.09 1xq8 h THR 64 N 0.18 1.25 -0.22 7.19 1.35 -1.55 2.18 112.91 123.29 1xq8 h THR 64 Ca 0.47 -0.82 -0.04 0.00 -0.55 0.00 0.00 66.41 65.47 1xq8 h THR 64 Cb 1.52 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 69.40 1xq8 h THR 64 CO -0.10 0.25 -0.00 0.78 -0.25 0.00 0.00 175.52 176.19 1xq8 h ASN 65 N 0.05 0.39 0.95 5.36 -0.26 -0.77 -2.98 115.58 118.33 1xq8 h ASN 65 Ca 0.05 -0.31 -0.13 0.00 -0.56 0.00 0.00 56.30 55.34 1xq8 h ASN 65 Cb 0.37 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.50 1xq8 h ASN 65 CO 0.01 0.61 -0.64 0.58 -1.06 0.00 0.00 177.43 176.93 1xq8 h VAL 66 N 0.16 1.26 -1.03 2.81 2.07 -1.03 -3.17 116.25 117.31 1xq8 h VAL 66 Ca 0.06 -2.34 0.26 0.00 0.82 0.00 0.00 66.70 65.50 1xq8 h VAL 66 Cb 0.41 2.34 -0.09 0.00 -1.52 0.00 0.00 31.29 32.42 1xq8 h VAL 66 CO 0.01 0.62 0.66 1.23 0.02 0.00 0.00 177.57 180.12 1xq8 h GLY 67 N 2.54 1.24 2.00 2.17 0.00 0.38 1.35 103.07 112.75 1xq8 h GLY 67 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1xq8 h GLY 67 CO 0.08 -0.13 0.00 -1.33 0.00 0.00 0.00 176.54 175.16 1xq8 h GLY 68 N 0.41 0.00 0.18 4.60 0.00 -1.58 -3.19 103.07 103.49 1xq8 h GLY 68 Ca 0.59 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.83 1xq8 h GLY 68 CO -0.30 0.00 -0.44 0.00 0.00 0.00 0.00 176.54 175.80 1xq8 h ALA 69 N 2.38 0.03 -0.63 3.60 0.00 0.16 -3.07 119.26 121.75 1xq8 h ALA 69 Ca 0.00 -0.68 0.04 0.00 0.00 0.00 0.00 54.91 54.27 1xq8 h ALA 69 Cb 0.81 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1xq8 h ALA 69 CO 0.00 0.23 0.41 -0.39 0.00 0.00 0.00 179.25 179.51 1xq8 h VAL 70 N -0.82 1.06 -0.32 0.00 -1.51 -1.30 0.69 116.25 114.06 1xq8 h VAL 70 Ca -0.10 -0.24 -0.04 0.00 -1.23 0.00 0.00 66.70 65.09 1xq8 h VAL 70 Cb 1.23 0.29 -0.01 0.00 -2.13 0.00 0.00 31.29 30.67 1xq8 h VAL 70 CO 0.01 0.13 0.04 0.58 -1.23 0.00 0.00 177.57 177.09 1xq8 h VAL 71 N 0.71 1.24 -0.57 7.19 2.07 -1.65 -1.16 116.25 124.08 1xq8 h VAL 71 Ca 0.25 -0.86 -0.10 0.00 0.82 0.00 0.00 66.70 66.82 1xq8 h VAL 71 Cb 0.12 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1xq8 h VAL 71 CO -0.07 0.28 -0.04 0.71 0.02 0.00 0.00 177.57 178.47 1xq8 h THR 72 N 0.36 1.26 0.42 2.57 1.35 -1.23 -2.56 112.91 115.08 1xq8 h THR 72 Ca 0.10 -1.18 -0.02 0.00 -0.55 0.00 0.00 66.41 64.75 1xq8 h THR 72 Cb 0.38 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1xq8 h THR 72 CO 0.01 0.42 -0.20 1.23 -0.25 0.00 0.00 175.52 176.73 1xq8 h GLY 73 N 0.98 -0.59 0.17 5.82 0.00 -0.70 -2.27 103.07 106.47 1xq8 h GLY 73 Ca 0.16 0.22 0.20 0.00 0.00 0.00 0.00 47.33 47.91 1xq8 h GLY 73 CO 0.04 -0.22 0.61 -2.08 0.00 0.00 0.00 176.54 174.90 1xq8 h VAL 74 N -0.62 0.69 -0.89 4.60 2.07 -1.16 0.24 116.25 121.18 1xq8 h VAL 74 Ca -0.06 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.26 1xq8 h VAL 74 Cb 0.46 -0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 1xq8 h VAL 74 CO 0.10 0.12 0.59 0.74 0.02 0.00 0.00 177.57 179.13 1xq8 h THR 75 N 0.66 1.19 -0.66 2.57 2.02 -1.00 0.93 112.91 118.62 1xq8 h THR 75 Ca 0.55 -0.40 -0.06 0.00 0.77 0.00 0.00 66.41 67.27 1xq8 h THR 75 Cb 1.00 -0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1xq8 h THR 75 CO -0.32 0.21 0.18 0.00 0.37 0.00 0.00 175.52 175.97 1xq8 h ALA 76 N 1.35 0.87 -0.09 6.16 0.00 -0.12 -2.33 119.26 125.09 1xq8 h ALA 76 Ca 0.34 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1xq8 h ALA 76 Cb -0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1xq8 h ALA 76 CO -0.10 0.56 -0.39 0.28 0.00 0.00 0.00 179.25 179.61 1xq8 h VAL 77 N 0.97 1.30 0.05 0.00 2.07 -0.69 -2.11 116.25 117.84 1xq8 h VAL 77 Ca 0.21 -1.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 1xq8 h VAL 77 Cb 0.33 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1xq8 h VAL 77 CO -0.00 0.43 -0.03 0.00 0.02 0.00 0.00 177.57 177.99 1xq8 h ALA 78 N 1.44 -0.07 0.00 1.67 0.00 -0.31 -0.50 119.26 121.49 1xq8 h ALA 78 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xq8 h ALA 78 Cb 0.76 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1xq8 h ALA 78 CO 0.06 -0.52 0.00 1.96 0.00 0.00 0.00 179.25 180.74 1xq8 h GLN 79 N -0.11 0.00 0.00 0.00 4.20 -1.39 -2.36 115.11 115.46 1xq8 h GLN 79 Ca -0.01 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1xq8 h GLN 79 Cb 0.09 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1xq8 h GLN 79 CO 0.01 0.00 -0.32 -0.22 -0.67 0.00 0.00 178.83 177.64 1xq8 h LYS 80 N 0.00 0.00 0.00 1.46 3.64 -0.57 -3.22 116.57 117.87 1xq8 h LYS 80 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1xq8 h LYS 80 Cb 0.49 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1xq8 h LYS 80 CO 0.00 0.13 -0.14 1.15 -2.27 0.00 0.00 179.45 178.33 1xq8 h THR 81 N 0.00 1.41 -0.96 1.00 2.02 -0.58 -3.13 112.91 112.67 1xq8 h THR 81 Ca -0.01 -2.11 0.17 0.00 0.77 0.00 0.00 66.41 65.23 1xq8 h THR 81 Cb 1.12 2.72 -0.09 0.00 -1.74 0.00 0.00 68.15 70.16 1xq8 h THR 81 CO 0.02 0.48 0.61 -0.37 0.37 0.00 0.00 175.52 176.62 1xq8 h VAL 82 N -1.00 0.77 -0.45 3.16 -1.51 -1.66 0.05 116.25 115.62 1xq8 h VAL 82 Ca -0.03 -0.25 -0.02 0.00 -1.23 0.00 0.00 66.70 65.16 1xq8 h VAL 82 Cb 0.87 -0.03 -0.02 0.00 -2.13 0.00 0.00 31.29 29.99 1xq8 h VAL 82 CO -0.02 0.13 0.18 -0.33 -1.23 0.00 0.00 177.57 176.30 1xq8 h GLU 83 N 0.74 0.67 -0.18 5.19 5.08 -1.65 -1.54 114.58 122.88 1xq8 h GLU 83 Ca 0.52 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.81 1xq8 h GLU 83 Cb 0.83 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1xq8 h GLU 83 CO -0.28 0.61 0.20 0.78 -1.00 0.00 0.00 179.01 179.31 1xq8 h GLY 84 N 0.58 0.00 1.10 -3.84 0.00 -0.93 0.06 103.07 100.05 1xq8 h GLY 84 Ca 0.15 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.55 1xq8 h GLY 84 CO -0.01 0.00 0.43 0.00 0.00 0.00 0.00 176.54 176.96 1xq8 h ALA 85 N 1.76 1.79 -0.79 3.60 0.00 -0.90 -1.34 119.26 123.38 1xq8 h ALA 85 Ca 0.08 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.12 1xq8 h ALA 85 Cb 0.49 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.02 1xq8 h ALA 85 CO -0.00 0.10 0.35 0.78 0.00 0.00 0.00 179.25 180.48 1xq8 h GLY 86 N 0.64 1.23 1.00 0.00 0.00 -1.07 0.11 103.07 104.98 1xq8 h GLY 86 Ca 0.29 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.44 1xq8 h GLY 86 CO -0.09 -0.08 0.56 0.23 0.00 0.00 0.00 176.54 177.17 1xq8 h SER 87 N 0.50 0.97 -0.71 0.19 0.87 -1.40 -2.06 113.55 111.92 1xq8 h SER 87 Ca 0.43 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.96 1xq8 h SER 87 Cb 0.64 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.32 1xq8 h SER 87 CO -0.39 0.70 0.42 0.40 -0.53 0.00 0.00 176.83 177.43 1xq8 h ILE 88 N 1.15 1.21 -0.93 2.23 2.04 -0.79 -1.97 117.51 120.44 1xq8 h ILE 88 Ca 0.31 -0.48 0.14 0.00 1.00 0.00 0.00 64.86 65.83 1xq8 h ILE 88 Cb -0.12 0.24 -0.09 0.00 -0.74 0.00 0.00 36.82 36.10 1xq8 h ILE 88 CO -0.07 0.22 0.55 0.00 0.00 0.00 0.00 178.15 178.85 1xq8 h ALA 89 N 1.22 1.42 -0.25 1.87 0.00 -0.55 -0.82 119.26 122.15 1xq8 h ALA 89 Ca 0.25 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1xq8 h ALA 89 Cb -0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1xq8 h ALA 89 CO -0.05 0.07 0.05 0.00 0.00 0.00 0.00 179.25 179.32 1xq8 h ALA 90 N 1.55 0.33 -0.82 0.00 0.00 -1.13 0.64 119.26 119.83 1xq8 h ALA 90 Ca 0.49 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.33 1xq8 h ALA 90 Cb 0.58 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 1xq8 h ALA 90 CO -0.31 0.00 0.45 0.00 0.00 0.00 0.00 179.25 179.40 1xq8 h ALA 91 N 0.86 1.19 0.02 0.00 0.00 -0.70 -2.59 119.26 118.05 1xq8 h ALA 91 Ca 0.08 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1xq8 h ALA 91 Cb 0.32 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1xq8 h ALA 91 CO 0.00 0.03 -0.25 1.15 0.00 0.00 0.00 179.25 180.18 1xq8 h THR 92 N 0.73 1.61 -1.56 0.00 2.02 -1.00 -3.40 112.91 111.32 1xq8 h THR 92 Ca 0.41 -2.14 -0.57 0.00 0.77 0.00 0.00 66.41 64.88 1xq8 h THR 92 Cb 0.45 3.01 -0.09 0.00 -1.74 0.00 0.00 68.15 69.78 1xq8 h THR 92 CO -0.28 0.58 1.33 -0.83 0.37 0.00 0.00 175.52 176.68 1xq8 s GLY 93 N -4.07 1.09 0.54 2.16 0.00 0.22 -4.98 107.32 102.29 1xq8 s GLY 93 Ca -0.16 -1.91 -0.22 0.00 0.00 0.00 0.00 44.72 42.43 1xq8 s GLY 93 CO 0.74 2.70 1.37 0.69 0.00 0.00 0.00 173.10 178.60 1xq8 n PHE 94 N 9.22 2.35 -1.52 1.90 3.01 -1.25 -4.66 117.46 126.52 1xq8 n PHE 94 Ca 0.22 0.43 -0.40 0.00 1.01 0.00 0.00 57.45 58.72 1xq8 n PHE 94 Cb 0.50 -2.37 -0.08 0.00 -0.01 0.00 0.00 39.48 37.52 1xq8 n PHE 94 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 1xq8 n VAL 95 N -1.00 -0.02 -0.86 -4.37 0.24 -1.26 -4.86 118.33 106.20 1xq8 n VAL 95 Ca 0.10 -0.46 -0.35 0.00 -2.04 0.00 0.00 64.34 61.59 1xq8 n VAL 95 Cb 0.44 -1.89 0.09 0.00 -1.47 0.00 0.00 33.84 31.02 1xq8 n VAL 95 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1xq8 n LYS 96 N 8.73 -0.41 -3.24 7.34 4.81 -1.26 -5.00 118.16 129.13 1xq8 n LYS 96 Ca 0.47 -0.10 -0.03 0.00 -0.87 0.00 0.00 58.31 57.78 1xq8 n LYS 96 Cb 0.33 -1.44 -0.04 0.00 0.02 0.00 0.00 35.03 33.91 1xq8 n LYS 96 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1xq8 s LYS 97 N -2.86 0.47 -0.37 1.64 -2.85 -1.26 -5.12 119.74 109.39 1xq8 s LYS 97 Ca 0.48 0.42 -0.17 0.00 -1.00 0.00 0.00 55.97 55.70 1xq8 s LYS 97 Cb -0.14 -0.05 0.00 0.00 -2.06 0.00 0.00 37.83 35.59 1xq8 s LYS 97 CO 0.72 -0.94 0.46 0.34 0.10 0.00 0.00 175.35 176.03 1xq8 s ASP 98 N 2.67 6.25 0.00 0.03 -1.08 -1.26 -4.58 116.67 118.70 1xq8 s ASP 98 Ca 0.11 -0.22 0.00 0.00 -0.52 0.00 0.00 52.55 51.92 1xq8 s ASP 98 Cb -0.12 -2.24 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 1xq8 s ASP 98 CO -0.26 -0.47 0.00 0.00 0.52 0.00 0.00 175.17 174.96 1xq8 n GLN 99 N 5.64 0.00 -4.26 4.34 10.64 -1.26 -5.14 117.38 127.34 1xq8 n GLN 99 Ca -0.06 0.00 -0.24 0.00 -1.83 0.00 0.00 57.00 54.87 1xq8 n GLN 99 Cb 0.49 0.00 -0.07 0.00 -0.86 0.00 0.00 30.24 29.79 1xq8 n GLN 99 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1xq8 s LEU 100 N -0.23 3.25 0.00 2.61 1.43 -1.26 -5.02 118.68 119.45 1xq8 s LEU 100 Ca 0.00 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 1xq8 s LEU 100 Cb 0.00 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.41 1xq8 s LEU 100 CO 0.00 0.03 0.18 0.61 0.23 0.00 0.00 176.35 177.40 1xq8 n GLY 101 N -0.66 0.10 3.00 -3.19 0.00 -1.26 -5.08 105.19 98.09 1xq8 n GLY 101 Ca -0.08 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.94 1xq8 n GLY 101 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xq8 n LYS 102 N -0.13 -1.58 -3.15 1.61 4.81 -1.26 -4.98 118.16 113.48 1xq8 n LYS 102 Ca 0.00 1.60 -0.21 0.00 -0.87 0.00 0.00 58.31 58.83 1xq8 n LYS 102 Cb 0.09 -2.77 -0.06 0.00 0.02 0.00 0.00 35.03 32.32 1xq8 n LYS 102 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1xq8 n ASN 103 N 1.06 -0.80 -0.19 3.14 3.02 -1.26 -4.97 115.26 115.26 1xq8 n ASN 103 Ca -0.00 -2.69 -0.09 0.00 -0.03 0.00 0.00 54.58 51.76 1xq8 n ASN 103 Cb 0.30 -0.05 0.01 0.00 -0.61 0.00 0.00 39.78 39.43 1xq8 n ASN 103 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1xq8 h GLU 104 N 4.61 0.89 0.00 3.52 9.09 -2.08 -3.46 114.58 127.15 1xq8 h GLU 104 Ca 0.10 -0.25 0.00 0.00 0.05 0.00 0.00 59.36 59.27 1xq8 h GLU 104 Cb 0.93 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 27.93 1xq8 h GLU 104 CO 0.37 0.88 0.00 0.39 0.05 0.00 0.00 179.01 180.70 1xq8 n GLU 105 N -4.36 0.00 -0.39 1.06 1.02 -1.26 -5.00 120.64 111.71 1xq8 n GLU 105 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1xq8 n GLU 105 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.69 1xq8 n GLU 105 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xq8 n GLY 106 N 0.00 2.30 3.69 0.62 0.00 -1.26 -4.73 105.19 105.80 1xq8 n GLY 106 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1xq8 n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xq8 n ALA 107 N 1.36 -2.32 -1.24 4.61 0.00 -1.26 -4.81 120.51 116.85 1xq8 n ALA 107 Ca 0.00 -0.19 -0.36 0.00 0.00 0.00 0.00 53.44 52.89 1xq8 n ALA 107 Cb 0.47 -3.32 -0.03 0.00 0.00 0.00 0.00 19.45 16.57 1xq8 n ALA 107 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1xq8 n PRO 108 N -4.15 3.47 0.00 0.00 -0.04 -1.26 -4.86 135.00 128.17 1xq8 n PRO 108 Ca -0.18 -2.08 0.00 0.00 -0.04 0.00 0.00 63.50 61.20 1xq8 n PRO 108 Cb 0.63 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 1xq8 n PRO 108 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1xq8 n GLN 109 N 3.61 0.00 0.00 0.54 6.02 -1.26 -4.99 117.38 121.30 1xq8 n GLN 109 Ca 0.74 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.73 1xq8 n GLN 109 Cb 0.24 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.50 1xq8 n GLN 109 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1xq8 n GLU 110 N 0.00 0.00 -3.17 -1.09 2.13 -1.26 -5.16 120.64 112.09 1xq8 n GLU 110 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 1xq8 n GLU 110 Cb 0.00 0.00 0.02 0.00 0.27 0.00 0.00 31.44 31.73 1xq8 n GLU 110 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xq8 n GLY 111 N 0.00 0.81 0.15 8.31 0.00 -1.26 -5.04 105.19 108.16 1xq8 n GLY 111 Ca 0.00 -1.09 -0.19 0.00 0.00 0.00 0.00 46.02 44.74 1xq8 n GLY 111 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1xq8 h ILE 112 N 1.71 1.37 -4.26 -0.61 -2.65 -2.04 -3.46 117.51 107.57 1xq8 h ILE 112 Ca -0.20 -2.65 -0.51 0.00 1.03 0.00 0.00 64.86 62.53 1xq8 h ILE 112 Cb 0.86 2.74 0.12 0.00 -2.05 0.00 0.00 36.82 38.50 1xq8 h ILE 112 CO 0.26 0.79 0.34 -0.76 0.03 0.00 0.00 178.15 178.82 1xq8 s LEU 113 N -7.61 3.19 0.00 0.16 1.43 -1.26 -4.80 118.68 109.79 1xq8 s LEU 113 Ca -0.07 1.94 0.00 0.00 -1.03 0.00 0.00 54.13 54.97 1xq8 s LEU 113 Cb 0.06 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.75 1xq8 s LEU 113 CO 0.91 -1.92 0.55 -0.62 0.23 0.00 0.00 176.35 175.50 1xq8 n GLU 114 N -3.04 0.00 -2.98 1.70 1.02 -1.26 -4.71 120.64 111.37 1xq8 n GLU 114 Ca 0.10 0.14 -0.22 0.00 -0.02 0.00 0.00 57.16 57.16 1xq8 n GLU 114 Cb 0.52 -1.55 0.03 0.00 -0.02 0.00 0.00 31.44 30.42 1xq8 n GLU 114 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1xq8 n ASP 115 N -1.05 -6.09 -2.23 1.62 2.03 -1.26 -4.89 116.55 104.67 1xq8 n ASP 115 Ca 0.00 -0.27 -0.06 0.00 0.52 0.00 0.00 54.79 54.98 1xq8 n ASP 115 Cb 0.05 -4.91 0.05 0.00 -0.72 0.00 0.00 41.12 35.60 1xq8 n ASP 115 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 1xq8 n MET 116 N -3.94 2.04 0.06 -0.67 1.56 -1.26 -4.83 117.12 110.07 1xq8 n MET 116 Ca -0.12 -3.48 0.10 0.00 -0.27 0.00 0.00 57.70 53.93 1xq8 n MET 116 Cb 0.62 -1.59 0.41 0.00 2.15 0.00 0.00 33.22 34.82 1xq8 n MET 116 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1xq8 n PRO 117 N -0.52 0.09 -1.67 2.12 -0.04 -1.26 -4.81 135.00 128.90 1xq8 n PRO 117 Ca 0.19 0.30 -0.45 0.00 -0.04 0.00 0.00 63.50 63.50 1xq8 n PRO 117 Cb 0.89 -1.67 -0.03 0.00 -0.04 0.00 0.00 33.50 32.65 1xq8 n PRO 117 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1xq8 n VAL 118 N -1.85 0.85 -3.58 0.52 3.14 -1.26 -4.96 118.33 111.19 1xq8 n VAL 118 Ca 0.03 -0.21 -0.37 0.00 -2.96 0.00 0.00 64.34 60.83 1xq8 n VAL 118 Cb 0.22 -1.48 -0.08 0.00 -1.06 0.00 0.00 33.84 31.44 1xq8 n VAL 118 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1xq8 s ASP 119 N 0.36 6.27 0.08 6.55 1.01 -1.23 -4.96 116.67 124.74 1xq8 s ASP 119 Ca 0.69 0.31 0.22 0.00 0.71 0.00 0.00 52.55 54.48 1xq8 s ASP 119 Cb -0.65 -2.15 0.91 0.00 1.01 0.00 0.00 42.92 42.04 1xq8 s ASP 119 CO 0.48 0.05 1.70 -0.81 0.21 0.00 0.00 175.17 176.81 1xq8 n PRO 120 N 4.08 0.08 -0.12 8.23 -0.04 -1.26 -0.45 135.00 145.51 1xq8 n PRO 120 Ca -0.13 0.20 -0.03 0.00 -0.04 0.00 0.00 63.50 63.50 1xq8 n PRO 120 Cb 0.52 -1.61 0.19 0.00 -0.04 0.00 0.00 33.50 32.55 1xq8 n PRO 120 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1xq8 h ASP 121 N 0.00 0.76 0.00 3.54 2.03 -1.96 -3.40 116.42 117.40 1xq8 h ASP 121 Ca 0.00 -0.14 -0.06 0.00 -0.73 0.00 0.00 57.03 56.10 1xq8 h ASP 121 Cb 0.42 -0.20 -0.06 0.00 -0.83 0.00 0.00 39.33 38.66 1xq8 h ASP 121 CO 0.00 0.76 -0.14 -0.46 -1.03 0.00 0.00 179.24 178.37 1xq8 n ASN 122 N -4.27 -0.50 0.00 4.15 2.04 -1.21 -5.00 115.26 110.47 1xq8 n ASN 122 Ca 0.04 -1.01 0.00 0.00 -0.44 0.00 0.00 54.58 53.17 1xq8 n ASN 122 Cb 0.23 0.16 0.00 0.00 -2.53 0.00 0.00 39.78 37.64 1xq8 n ASN 122 CO 0.00 0.00 0.00 1.21 -0.44 0.00 0.00 177.26 178.03 1xq8 n GLU 123 N -0.05 0.00 0.00 -3.83 0.00 0.40 -3.63 120.64 113.53 1xq8 n GLU 123 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.03 1xq8 n GLU 123 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.92 1xq8 n GLU 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xq8 n ALA 124 N 0.00 0.00 -0.23 4.31 0.00 -1.26 -3.58 120.51 119.75 1xq8 n ALA 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xq8 n ALA 124 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1xq8 n ALA 124 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xq8 n TYR 125 N 0.00 0.00 -3.29 0.00 4.02 -1.26 -4.64 117.16 111.99 1xq8 n TYR 125 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 1xq8 n TYR 125 Cb 0.00 -0.38 -0.06 0.00 -0.02 0.00 0.00 39.34 38.88 1xq8 n TYR 125 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1xq8 s GLU 126 N -2.54 0.73 1.14 -0.72 2.02 -1.26 -4.93 118.70 113.14 1xq8 s GLU 126 Ca 0.00 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.16 1xq8 s GLU 126 Cb 0.00 -0.54 0.00 0.00 0.10 0.00 0.00 34.13 33.69 1xq8 s GLU 126 CO 0.00 -1.22 0.00 -1.33 0.02 0.00 0.00 175.26 172.73 1xq8 n MET 127 N 4.10 -0.23 -0.75 1.61 2.81 -1.24 -4.67 117.12 118.75 1xq8 n MET 127 Ca 0.13 0.15 -0.32 0.00 -1.81 0.00 0.00 57.70 55.84 1xq8 n MET 127 Cb 0.49 -0.28 0.14 0.00 -0.71 0.00 0.00 33.22 32.86 1xq8 n MET 127 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 1xq8 n PRO 128 N -1.47 -0.54 -0.29 0.03 -0.02 -1.26 -4.84 135.00 126.62 1xq8 n PRO 128 Ca 0.00 -0.12 -0.01 0.00 -2.02 0.00 0.00 63.50 61.36 1xq8 n PRO 128 Cb 0.05 -1.92 0.11 0.00 -0.02 0.00 0.00 33.50 31.72 1xq8 n PRO 128 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1xq8 h SER 129 N -1.71 0.79 0.00 2.55 4.64 -2.05 -3.46 113.55 114.31 1xq8 h SER 129 Ca -0.45 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1xq8 h SER 129 Cb 1.29 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1xq8 h SER 129 CO 0.36 0.52 0.00 -1.84 -0.87 0.00 0.00 176.83 175.00 1xq8 n GLU 130 N -4.64 0.00 -2.62 4.77 0.28 -1.26 -4.16 120.64 113.02 1xq8 n GLU 130 Ca 0.10 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 57.01 1xq8 n GLU 130 Cb 0.14 0.00 0.03 0.00 1.43 0.00 0.00 31.44 33.04 1xq8 n GLU 130 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1xq8 n GLU 131 N 0.51 2.03 0.00 3.44 1.02 -1.26 -4.98 120.64 121.40 1xq8 n GLU 131 Ca 0.00 -3.65 0.00 0.00 -0.02 0.00 0.00 57.16 53.49 1xq8 n GLU 131 Cb 0.00 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 1xq8 n GLU 131 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xq8 n GLY 132 N -0.43 1.02 5.13 0.62 0.00 -1.26 -4.81 105.19 105.45 1xq8 n GLY 132 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1xq8 n GLY 132 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xq8 n TYR 133 N 0.00 0.00 -3.67 1.61 4.19 -1.26 -4.26 117.16 113.77 1xq8 n TYR 133 Ca 0.00 0.00 -0.08 0.00 3.31 0.00 0.00 57.90 61.13 1xq8 n TYR 133 Cb 0.00 0.00 -0.09 0.00 0.49 0.00 0.00 39.34 39.74 1xq8 n TYR 133 CO 0.00 0.00 0.00 1.14 0.91 0.00 0.00 176.86 178.91 1xq8 s GLN 134 N 0.00 0.49 0.00 2.98 -2.07 -1.26 -4.99 119.66 114.81 1xq8 s GLN 134 Ca 0.00 1.06 0.00 0.00 -1.82 0.00 0.00 55.36 54.60 1xq8 s GLN 134 Cb 0.00 0.23 0.00 0.00 -1.09 0.00 0.00 33.01 32.15 1xq8 s GLN 134 CO 0.00 -0.18 0.00 -3.47 -1.32 0.00 0.00 175.29 170.32 1xq8 n ASP 135 N 4.70 0.00 -3.88 12.60 2.03 -1.26 -5.10 116.55 125.63 1xq8 n ASP 135 Ca -0.18 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 54.90 1xq8 n ASP 135 Cb 0.54 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.77 1xq8 n ASP 135 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1xq8 s TYR 136 N 0.00 1.06 0.05 -0.67 -0.85 -1.26 -5.06 117.35 110.61 1xq8 s TYR 136 Ca 0.00 -0.41 -0.27 0.00 -0.52 0.00 0.00 57.07 55.88 1xq8 s TYR 136 Cb 0.00 -0.94 -0.14 0.00 0.38 0.00 0.00 41.96 41.26 1xq8 s TYR 136 CO 0.00 -0.34 1.40 0.93 -1.52 0.00 0.00 175.55 176.02 1xq8 h GLU 137 N 7.78 -0.84 -7.08 -3.49 4.39 -1.99 -3.44 114.58 109.91 1xq8 h GLU 137 Ca -0.29 0.06 -0.45 0.00 0.34 0.00 0.00 59.36 59.01 1xq8 h GLU 137 Cb 1.14 0.19 0.22 0.00 -0.10 0.00 0.00 28.75 30.20 1xq8 h GLU 137 CO 0.39 -0.56 -0.13 -0.35 -1.16 0.00 0.00 179.01 177.20 1xq8 n PRO 138 N -4.62 -2.13 0.14 2.33 -0.04 -1.26 -4.84 135.00 124.59 1xq8 n PRO 138 Ca -0.11 -0.59 0.18 0.00 -0.04 0.00 0.00 63.50 62.94 1xq8 n PRO 138 Cb 0.36 -2.13 0.77 0.00 -0.04 0.00 0.00 33.50 32.46 1xq8 n PRO 138 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1xq8 h GLU 139 N -2.52 0.00 0.00 0.54 3.07 -2.06 -3.51 114.58 110.09 1xq8 h GLU 139 Ca -0.58 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.28 1xq8 h GLU 139 Cb 1.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.24 1xq8 h GLU 139 CO 0.47 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 178.08