#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xz7 s HIS 2 N 0.00 1.30 -0.13 3.52 5.04 -1.26 -4.92 115.29 118.85 1xz7 s HIS 2 Ca 0.00 1.37 0.02 0.00 -1.54 0.00 0.00 55.06 54.90 1xz7 s HIS 2 Cb 0.00 -3.72 0.01 0.00 0.04 0.00 0.00 32.58 28.91 1xz7 s HIS 2 CO 0.00 -2.21 -0.17 -1.17 -2.34 0.00 0.00 174.74 168.85 1xz7 s LEU 3 N 11.74 1.84 0.78 8.88 2.96 -1.26 -5.09 118.68 138.52 1xz7 s LEU 3 Ca 0.86 -0.49 -0.13 0.00 -0.22 0.00 0.00 54.13 54.15 1xz7 s LEU 3 Cb -0.14 -1.22 0.07 0.00 0.50 0.00 0.00 46.19 45.40 1xz7 s LEU 3 CO 0.18 0.02 1.16 0.42 -1.32 0.00 0.00 176.35 176.81 1xz7 s THR 4 N 1.04 2.55 0.40 3.68 -4.23 -1.26 -4.71 115.64 113.12 1xz7 s THR 4 Ca -0.04 0.23 0.06 0.00 -1.18 0.00 0.00 61.69 60.76 1xz7 s THR 4 Cb -0.15 -2.63 0.26 0.00 1.34 0.00 0.00 72.50 71.33 1xz7 s THR 4 CO -0.04 -0.19 2.05 1.55 -0.54 0.00 0.00 174.62 177.46 1xz7 h PRO 5 N -0.82 0.57 0.00 3.99 0.13 -2.00 0.14 132.00 134.02 1xz7 h PRO 5 Ca -0.46 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 64.54 1xz7 h PRO 5 Cb 1.27 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1xz7 h PRO 5 CO 0.48 0.38 -0.49 0.93 -0.23 0.00 0.00 178.00 179.08 1xz7 h GLU 6 N 0.59 0.00 -0.08 0.86 4.39 -1.99 -0.72 114.58 117.63 1xz7 h GLU 6 Ca 0.16 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.79 1xz7 h GLU 6 Cb -0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1xz7 h GLU 6 CO -0.03 0.49 -0.22 0.93 -1.16 0.00 0.00 179.01 179.02 1xz7 h GLU 7 N 0.00 0.28 -0.55 2.33 5.08 -1.42 -2.33 114.58 117.98 1xz7 h GLU 7 Ca -0.00 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1xz7 h GLU 7 Cb 0.90 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 1xz7 h GLU 7 CO 0.06 0.82 0.36 -0.22 -1.00 0.00 0.00 179.01 179.03 1xz7 h LYS 8 N -0.20 0.69 0.00 2.33 3.64 -0.65 0.19 116.57 122.57 1xz7 h LYS 8 Ca -0.01 -0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 59.14 1xz7 h LYS 8 Cb 0.83 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 1xz7 h LYS 8 CO 0.05 0.46 -0.88 0.66 -2.27 0.00 0.00 179.45 177.47 1xz7 h SER 9 N 0.71 0.26 -0.37 4.20 4.64 -1.14 -2.23 113.55 119.63 1xz7 h SER 9 Ca 0.20 -0.21 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 1xz7 h SER 9 Cb -0.04 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 1xz7 h SER 9 CO -0.05 1.01 0.07 0.00 -0.87 0.00 0.00 176.83 177.00 1xz7 h ALA 10 N 0.97 0.49 0.09 5.18 0.00 -0.73 -0.75 119.26 124.52 1xz7 h ALA 10 Ca -0.04 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1xz7 h ALA 10 Cb 1.51 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1xz7 h ALA 10 CO 0.13 0.19 -0.05 0.28 0.00 0.00 0.00 179.25 179.81 1xz7 h VAL 11 N 0.46 0.97 -0.57 0.00 2.07 -0.93 -2.74 116.25 115.51 1xz7 h VAL 11 Ca 0.11 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1xz7 h VAL 11 Cb 0.34 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1xz7 h VAL 11 CO 0.01 0.06 0.21 0.74 0.02 0.00 0.00 177.57 178.61 1xz7 h THR 12 N -0.24 1.23 0.08 2.57 2.02 -1.39 -1.23 112.91 115.95 1xz7 h THR 12 Ca -0.01 -0.73 0.02 0.00 0.77 0.00 0.00 66.41 66.45 1xz7 h THR 12 Cb 0.20 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1xz7 h THR 12 CO 0.02 0.28 -0.17 0.00 0.37 0.00 0.00 175.52 176.02 1xz7 h ALA 13 N 1.07 -0.26 -0.66 6.16 0.00 -1.11 -1.79 119.26 122.65 1xz7 h ALA 13 Ca 0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1xz7 h ALA 13 Cb 0.23 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1xz7 h ALA 13 CO -0.01 -0.68 0.29 1.25 0.00 0.00 0.00 179.25 180.10 1xz7 h LEU 14 N -0.32 0.89 -2.03 0.00 5.85 -1.38 -2.67 115.31 115.65 1xz7 h LEU 14 Ca 0.03 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1xz7 h LEU 14 Cb 0.34 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 1xz7 h LEU 14 CO -0.11 0.79 -0.08 -0.25 -0.34 0.00 0.00 178.44 178.46 1xz7 h TRP 15 N 0.93 0.00 0.00 1.25 2.91 -0.83 0.30 115.95 120.50 1xz7 h TRP 15 Ca 0.22 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.24 1xz7 h TRP 15 Cb 0.16 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.81 1xz7 h TRP 15 CO 0.01 0.08 0.00 0.78 -1.03 0.00 0.00 178.44 178.28 1xz7 h GLY 16 N 0.36 0.00 -1.12 2.65 0.00 -0.97 -2.37 103.07 101.62 1xz7 h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xz7 h GLY 16 CO 0.01 0.00 -0.23 0.28 0.00 0.00 0.00 176.54 176.60 1xz7 n LYS 17 N -2.71 1.61 -2.93 4.80 5.02 0.09 -4.97 118.16 119.08 1xz7 n LYS 17 Ca -0.01 -1.26 -0.40 0.00 -2.02 0.00 0.00 58.31 54.62 1xz7 n LYS 17 Cb 0.15 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.63 1xz7 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xz7 s VAL 18 N -2.26 4.61 -0.73 -0.18 1.01 -0.89 -5.01 120.40 116.95 1xz7 s VAL 18 Ca 0.25 1.74 -0.18 0.00 0.00 0.00 0.00 61.98 63.78 1xz7 s VAL 18 Cb 0.19 -4.16 0.13 0.00 0.00 0.00 0.00 36.38 32.54 1xz7 s VAL 18 CO 0.45 0.39 0.84 0.21 0.00 0.00 0.00 175.10 176.98 1xz7 s ASN 19 N -0.27 6.41 0.23 3.32 3.84 -1.26 -4.94 114.94 122.27 1xz7 s ASN 19 Ca 0.40 -1.82 -0.08 0.00 0.21 0.00 0.00 52.86 51.57 1xz7 s ASN 19 Cb -0.22 -2.31 0.23 0.00 -0.55 0.00 0.00 41.25 38.40 1xz7 s ASN 19 CO 0.25 -1.01 1.90 -0.37 -2.79 0.00 0.00 177.10 175.08 1xz7 h VAL 20 N 5.68 1.20 0.03 -5.21 -1.51 -1.95 -0.37 116.25 114.12 1xz7 h VAL 20 Ca -0.10 -0.40 0.02 0.00 -1.23 0.00 0.00 66.70 64.99 1xz7 h VAL 20 Cb 1.06 -0.07 -0.02 0.00 -2.13 0.00 0.00 31.29 30.13 1xz7 h VAL 20 CO 1.04 0.21 -0.14 0.44 -1.23 0.00 0.00 177.57 177.90 1xz7 h ASP 21 N 1.17 -0.38 -0.13 4.19 5.19 -1.92 0.28 116.42 124.82 1xz7 h ASP 21 Ca 0.33 0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.79 1xz7 h ASP 21 Cb -0.09 0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 1xz7 h ASP 21 CO -0.09 -0.19 0.05 -0.08 -3.12 0.00 0.00 179.24 175.81 1xz7 h GLU 22 N -0.24 0.18 -0.53 3.56 4.81 -1.80 -2.36 114.58 118.20 1xz7 h GLU 22 Ca 0.04 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1xz7 h GLU 22 Cb 0.29 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1xz7 h GLU 22 CO -0.11 0.27 -0.01 0.28 -0.73 0.00 0.00 179.01 178.71 1xz7 h VAL 23 N 0.06 1.25 -0.42 0.32 2.07 -0.99 -2.13 116.25 116.41 1xz7 h VAL 23 Ca 0.04 -1.08 0.03 0.00 0.82 0.00 0.00 66.70 66.51 1xz7 h VAL 23 Cb 0.15 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1xz7 h VAL 23 CO -0.00 0.39 0.22 1.23 0.02 0.00 0.00 177.57 179.42 1xz7 h GLY 24 N 0.99 0.58 1.02 2.17 0.00 -0.31 0.18 103.07 107.69 1xz7 h GLY 24 Ca 0.16 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1xz7 h GLY 24 CO 0.03 0.12 0.36 -1.33 0.00 0.00 0.00 176.54 175.71 1xz7 h GLY 25 N 0.44 1.15 0.93 4.60 0.00 -1.22 -2.25 103.07 106.73 1xz7 h GLY 25 Ca 0.18 -0.57 -0.06 0.00 0.00 0.00 0.00 47.33 46.87 1xz7 h GLY 25 CO -0.11 0.55 -0.03 0.83 0.00 0.00 0.00 176.54 177.78 1xz7 h GLU 26 N 1.05 0.65 -0.08 4.80 4.39 -1.12 -1.17 114.58 123.11 1xz7 h GLU 26 Ca 0.26 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1xz7 h GLU 26 Cb 0.12 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1xz7 h GLU 26 CO -0.03 0.78 -0.01 0.00 -1.16 0.00 0.00 179.01 178.59 1xz7 h ALA 27 N 0.85 0.11 -0.68 3.43 0.00 -0.91 -0.28 119.26 121.78 1xz7 h ALA 27 Ca 0.10 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1xz7 h ALA 27 Cb 0.50 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1xz7 h ALA 27 CO 0.02 -0.19 0.24 1.25 0.00 0.00 0.00 179.25 180.57 1xz7 h LEU 28 N -0.17 0.97 -0.02 0.00 5.85 -1.45 -1.53 115.31 118.95 1xz7 h LEU 28 Ca 0.02 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1xz7 h LEU 28 Cb 0.39 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 1xz7 h LEU 28 CO 0.01 0.90 0.00 1.23 -0.34 0.00 0.00 178.44 180.24 1xz7 h GLY 29 N 0.98 0.02 1.68 3.75 0.00 -1.13 -2.39 103.07 105.99 1xz7 h GLY 29 Ca 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.51 1xz7 h GLY 29 CO -0.01 -0.00 -0.03 3.21 0.00 0.00 0.00 176.54 179.70 1xz7 h ARG 30 N 0.01 0.40 -0.45 4.80 3.08 -0.86 -1.53 114.38 119.84 1xz7 h ARG 30 Ca 0.01 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 60.01 1xz7 h ARG 30 Cb 0.01 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 1xz7 h ARG 30 CO -0.02 0.46 0.23 1.25 -1.07 0.00 0.00 179.97 180.83 1xz7 h LEU 31 N 0.39 0.35 -0.95 3.04 5.85 -0.91 0.19 115.31 123.26 1xz7 h LEU 31 Ca 0.08 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.71 1xz7 h LEU 31 Cb 0.31 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1xz7 h LEU 31 CO 0.01 0.25 -0.52 -0.07 -0.34 0.00 0.00 178.44 177.77 1xz7 h LEU 32 N 0.47 0.00 0.17 2.25 3.38 -0.82 -1.27 115.31 119.49 1xz7 h LEU 32 Ca 0.19 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.93 1xz7 h LEU 32 Cb 0.08 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.85 1xz7 h LEU 32 CO -0.12 0.52 -0.99 0.58 0.09 0.00 0.00 178.44 178.52 1xz7 h VAL 33 N 0.00 1.45 0.00 1.22 2.07 -1.04 -3.25 116.25 116.70 1xz7 h VAL 33 Ca -0.01 -2.58 -0.17 0.00 0.82 0.00 0.00 66.70 64.77 1xz7 h VAL 33 Cb 0.93 3.16 -0.02 0.00 -1.52 0.00 0.00 31.29 33.83 1xz7 h VAL 33 CO 0.07 0.74 -0.80 0.58 0.02 0.00 0.00 177.57 178.18 1xz7 h VAL 34 N -0.24 1.52 -2.10 2.57 2.07 -0.59 -3.36 116.25 116.11 1xz7 h VAL 34 Ca -0.17 -2.81 -0.58 0.00 0.82 0.00 0.00 66.70 63.96 1xz7 h VAL 34 Cb 1.78 2.54 -0.40 0.00 -1.52 0.00 0.00 31.29 33.68 1xz7 h VAL 34 CO 0.18 0.79 -0.87 -1.22 0.02 0.00 0.00 177.57 176.47 1xz7 n TYR 35 N -3.50 1.44 0.21 1.57 4.01 -0.49 -5.00 117.16 115.40 1xz7 n TYR 35 Ca -0.00 -3.83 0.17 0.00 -0.16 0.00 0.00 57.90 54.08 1xz7 n TYR 35 Cb 0.80 -0.44 0.83 0.00 -0.31 0.00 0.00 39.34 40.22 1xz7 n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1xz7 h PRO 36 N 4.10 0.00 0.00 -0.72 0.11 -1.72 -0.76 132.00 133.00 1xz7 h PRO 36 Ca 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 1xz7 h PRO 36 Cb 0.78 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 1xz7 h PRO 36 CO 0.63 0.00 -0.05 0.11 -0.21 0.00 0.00 178.00 178.48 1xz7 h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.93 -1.13 115.95 113.63 1xz7 h TRP 37 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.07 1xz7 h TRP 37 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.76 1xz7 h TRP 37 CO 0.00 0.05 0.00 0.25 0.09 0.00 0.00 178.44 178.83 1xz7 n THR 38 N -3.40 1.21 0.30 0.12 -2.24 -0.29 -1.66 114.28 108.31 1xz7 n THR 38 Ca -0.02 0.30 0.18 0.00 -2.27 0.00 0.00 64.05 62.24 1xz7 n THR 38 Cb 0.19 -1.14 0.85 0.00 -2.10 0.00 0.00 70.33 68.13 1xz7 n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1xz7 h GLN 39 N 0.00 0.00 0.00 -0.78 4.20 -1.41 -2.77 115.11 114.35 1xz7 h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1xz7 h GLN 39 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1xz7 h GLN 39 CO 0.00 0.00 0.00 -2.13 -0.67 0.00 0.00 178.83 176.03 1xz7 n ARG 40 N -2.88 0.46 0.00 1.46 0.63 -0.67 -1.06 116.66 114.61 1xz7 n ARG 40 Ca -0.01 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 57.01 1xz7 n ARG 40 Cb 0.18 -1.39 0.00 0.00 0.45 0.00 0.00 32.46 31.70 1xz7 n ARG 40 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1xz7 n PHE 41 N -0.89 0.00 -2.59 -0.14 3.72 -1.04 -4.63 117.46 111.89 1xz7 n PHE 41 Ca 0.09 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.38 1xz7 n PHE 41 Cb 0.04 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.61 1xz7 n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1xz7 n PHE 42 N 0.02 1.79 0.30 1.38 3.72 -0.22 -4.88 117.46 119.57 1xz7 n PHE 42 Ca 0.08 -2.44 0.17 0.00 -0.05 0.00 0.00 57.45 55.21 1xz7 n PHE 42 Cb 0.38 -0.27 0.72 0.00 -0.94 0.00 0.00 39.48 39.37 1xz7 n PHE 42 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1xz7 h GLU 43 N 2.62 0.00 -0.00 -1.08 4.11 -1.82 -2.08 114.58 116.33 1xz7 h GLU 43 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 1xz7 h GLU 43 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1xz7 h GLU 43 CO 0.46 0.00 -0.02 -1.13 0.07 0.00 0.00 179.01 178.39 1xz7 n SER 44 N -2.97 0.37 -0.30 3.06 3.41 -1.26 -3.99 113.62 111.93 1xz7 n SER 44 Ca 0.00 -0.94 0.13 0.00 -0.26 0.00 0.00 58.87 57.80 1xz7 n SER 44 Cb 0.27 -0.04 0.58 0.00 -0.26 0.00 0.00 64.21 64.76 1xz7 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1xz7 n PHE 45 N -0.79 0.06 -3.26 7.33 3.01 -0.78 -5.03 117.46 117.98 1xz7 n PHE 45 Ca 0.20 -0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.64 1xz7 n PHE 45 Cb 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.67 1xz7 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xz7 n GLY 46 N 1.05 0.33 3.64 1.37 0.00 -1.26 -4.80 105.19 105.53 1xz7 n GLY 46 Ca 0.18 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 1xz7 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xz7 s ASP 47 N -4.00 6.50 -0.10 1.61 2.15 -1.26 -4.86 116.67 116.72 1xz7 s ASP 47 Ca 0.00 1.68 0.19 0.00 0.43 0.00 0.00 52.55 54.85 1xz7 s ASP 47 Cb 0.00 -2.53 0.43 0.00 -0.30 0.00 0.00 42.92 40.51 1xz7 s ASP 47 CO 0.00 -1.14 1.19 0.18 -0.17 0.00 0.00 175.17 175.23 1xz7 n LEU 48 N 8.00 1.79 0.16 -1.34 4.77 -1.26 -4.25 117.00 124.86 1xz7 n LEU 48 Ca 0.18 -2.87 0.12 0.00 -0.03 0.00 0.00 56.01 53.41 1xz7 n LEU 48 Cb 0.45 -0.23 0.22 0.00 -2.33 0.00 0.00 43.42 41.53 1xz7 n LEU 48 CO 0.63 0.92 0.72 0.77 -1.33 0.00 0.00 177.39 179.10 1xz7 h SER 49 N 1.02 0.00 -5.28 -1.43 4.64 -1.90 -3.43 113.55 107.16 1xz7 h SER 49 Ca -0.12 -0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 60.99 1xz7 h SER 49 Cb 1.49 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.43 1xz7 h SER 49 CO 0.06 0.01 -0.65 0.42 -0.87 0.00 0.00 176.83 175.80 1xz7 s THR 50 N -3.19 0.19 0.23 2.95 -4.23 -1.26 -5.03 115.64 105.30 1xz7 s THR 50 Ca 0.07 -1.91 -0.06 0.00 -1.18 0.00 0.00 61.69 58.61 1xz7 s THR 50 Cb 0.08 -2.01 0.18 0.00 1.34 0.00 0.00 72.50 72.09 1xz7 s THR 50 CO 0.66 -0.51 1.77 -0.65 -0.54 0.00 0.00 174.62 175.36 1xz7 h PRO 51 N 2.87 0.57 -0.29 3.99 0.11 -1.99 -1.86 132.00 135.40 1xz7 h PRO 51 Ca -0.35 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.62 1xz7 h PRO 51 Cb 1.19 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1xz7 h PRO 51 CO 0.60 0.38 -0.27 -0.44 -0.21 0.00 0.00 178.00 178.06 1xz7 h ASP 52 N 0.59 0.59 -0.83 -2.05 3.32 -1.98 -1.03 116.42 115.02 1xz7 h ASP 52 Ca 0.36 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1xz7 h ASP 52 Cb 0.40 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.75 1xz7 h ASP 52 CO -0.28 0.84 0.46 0.00 -1.72 0.00 0.00 179.24 178.53 1xz7 h ALA 53 N 1.20 1.23 0.34 3.45 0.00 -1.75 -1.86 119.26 121.87 1xz7 h ALA 53 Ca 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1xz7 h ALA 53 Cb 0.73 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1xz7 h ALA 53 CO 0.06 0.62 -0.16 0.28 0.00 0.00 0.00 179.25 180.05 1xz7 h VAL 54 N 1.17 0.42 -0.25 0.00 2.07 -1.10 -2.65 116.25 115.91 1xz7 h VAL 54 Ca 0.29 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 1xz7 h VAL 54 Cb 0.03 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1xz7 h VAL 54 CO -0.05 0.09 0.14 0.24 0.02 0.00 0.00 177.57 178.02 1xz7 h MET 55 N -0.99 0.33 -0.02 1.57 2.07 -1.19 -2.15 114.93 114.55 1xz7 h MET 55 Ca -0.05 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.56 1xz7 h MET 55 Cb 0.50 -0.07 0.00 0.00 -1.87 0.00 0.00 31.60 30.16 1xz7 h MET 55 CO 0.08 0.24 -0.16 0.41 1.07 0.00 0.00 176.91 178.55 1xz7 n GLY 56 N -1.44 0.42 3.66 8.32 0.00 -0.70 -4.80 105.19 110.65 1xz7 n GLY 56 Ca 0.01 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 1xz7 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xz7 s ASN 57 N -2.18 6.60 0.51 1.61 3.84 -0.81 -4.88 114.94 119.62 1xz7 s ASN 57 Ca 0.27 2.38 0.16 0.00 0.21 0.00 0.00 52.86 55.87 1xz7 s ASN 57 Cb 0.20 -2.53 1.23 0.00 -0.55 0.00 0.00 41.25 39.60 1xz7 s ASN 57 CO 0.40 -0.96 2.12 -0.65 -2.79 0.00 0.00 177.10 175.22 1xz7 h PRO 58 N 9.81 0.00 -0.02 0.43 0.11 -1.90 -0.66 132.00 139.78 1xz7 h PRO 58 Ca -0.42 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.46 1xz7 h PRO 58 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1xz7 h PRO 58 CO 0.95 0.04 -0.91 0.87 -0.21 0.00 0.00 178.00 178.74 1xz7 h LYS 59 N 0.00 0.46 -0.30 1.05 1.57 -1.90 -1.59 116.57 115.85 1xz7 h LYS 59 Ca -0.00 -0.46 -0.02 0.00 -1.87 0.00 0.00 60.65 58.30 1xz7 h LYS 59 Cb 0.06 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1xz7 h LYS 59 CO 0.00 1.11 0.12 0.28 -0.57 0.00 0.00 179.45 180.40 1xz7 h VAL 60 N 0.27 1.18 -0.65 0.50 2.07 -1.64 -0.63 116.25 117.36 1xz7 h VAL 60 Ca -0.07 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 1xz7 h VAL 60 Cb 1.53 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 1xz7 h VAL 60 CO 0.16 0.19 0.31 0.11 0.02 0.00 0.00 177.57 178.36 1xz7 h LYS 61 N 0.34 0.94 -0.43 1.57 1.57 -1.13 -0.11 116.57 119.32 1xz7 h LYS 61 Ca 0.10 -0.14 -0.14 0.00 -1.87 0.00 0.00 60.65 58.60 1xz7 h LYS 61 Cb 0.19 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1xz7 h LYS 61 CO -0.01 0.75 -0.29 0.00 -0.57 0.00 0.00 179.45 179.33 1xz7 h ALA 62 N 1.14 0.68 -0.40 3.86 0.00 -1.20 -2.45 119.26 120.89 1xz7 h ALA 62 Ca 0.22 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1xz7 h ALA 62 Cb 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1xz7 h ALA 62 CO -0.03 0.67 -0.18 1.25 0.00 0.00 0.00 179.25 180.96 1xz7 h HIS 63 N 0.79 0.86 -0.97 0.00 -0.00 -0.77 -2.80 115.15 112.26 1xz7 h HIS 63 Ca 0.09 -0.18 0.03 0.00 -0.00 0.00 0.00 60.37 60.31 1xz7 h HIS 63 Cb 0.86 -0.21 -0.06 0.00 -0.00 0.00 0.00 27.41 28.01 1xz7 h HIS 63 CO 0.05 0.89 0.64 0.78 -0.00 0.00 0.00 177.93 180.29 1xz7 h GLY 64 N 0.97 1.41 1.11 5.26 0.00 -0.80 -0.55 103.07 110.48 1xz7 h GLY 64 Ca 0.10 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1xz7 h GLY 64 CO 0.05 0.43 0.43 1.70 0.00 0.00 0.00 176.54 179.15 1xz7 h LYS 65 N 1.24 1.16 -0.23 4.80 3.64 -1.32 -0.98 116.57 124.88 1xz7 h LYS 65 Ca 0.38 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 1xz7 h LYS 65 Cb -0.03 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 1xz7 h LYS 65 CO -0.11 0.86 -0.03 -0.22 -2.27 0.00 0.00 179.45 177.68 1xz7 h LYS 66 N 1.15 0.43 -0.11 1.90 3.64 -1.11 -0.65 116.57 121.83 1xz7 h LYS 66 Ca 0.29 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1xz7 h LYS 66 Cb 0.06 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1xz7 h LYS 66 CO -0.04 0.64 0.06 0.28 -2.27 0.00 0.00 179.45 178.12 1xz7 h VAL 67 N 0.18 1.08 0.00 2.00 2.07 -0.95 -2.36 116.25 118.27 1xz7 h VAL 67 Ca 0.06 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 1xz7 h VAL 67 Cb 0.46 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1xz7 h VAL 67 CO 0.02 0.07 -0.39 -0.07 0.02 0.00 0.00 177.57 177.21 1xz7 h LEU 68 N 0.10 0.00 -0.66 2.57 3.38 -1.18 -2.00 115.31 117.51 1xz7 h LEU 68 Ca 0.04 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1xz7 h LEU 68 Cb 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1xz7 h LEU 68 CO -0.01 0.39 0.10 1.23 0.09 0.00 0.00 178.44 180.24 1xz7 h GLY 69 N 2.48 1.19 1.88 0.83 0.00 -0.82 -0.65 103.07 107.99 1xz7 h GLY 69 Ca -0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 47.33 46.41 1xz7 h GLY 69 CO 0.05 0.74 -0.50 0.00 0.00 0.00 0.00 176.54 176.84 1xz7 h ALA 70 N 1.04 1.08 0.04 3.60 0.00 -1.11 -2.64 119.26 121.27 1xz7 h ALA 70 Ca 0.20 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1xz7 h ALA 70 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1xz7 h ALA 70 CO 0.01 0.64 -0.02 0.35 0.00 0.00 0.00 179.25 180.24 1xz7 h PHE 71 N 0.11 -0.05 -0.76 0.00 3.04 -0.71 -2.23 116.94 116.35 1xz7 h PHE 71 Ca 0.00 -0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.07 1xz7 h PHE 71 Cb 0.92 0.02 -0.08 0.00 2.56 0.00 0.00 35.95 39.36 1xz7 h PHE 71 CO 0.01 0.16 0.36 0.77 -2.02 0.00 0.00 178.31 177.59 1xz7 h SER 72 N -0.25 0.44 -0.60 0.41 0.02 -1.08 0.16 113.55 112.65 1xz7 h SER 72 Ca -0.01 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1xz7 h SER 72 Cb 0.23 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 1xz7 h SER 72 CO 0.01 0.22 0.36 0.44 -1.14 0.00 0.00 176.83 176.71 1xz7 h ASP 73 N 0.57 0.73 -0.62 3.07 5.19 -1.34 0.14 116.42 124.16 1xz7 h ASP 73 Ca 0.39 -0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.74 1xz7 h ASP 73 Cb 0.50 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 39.79 1xz7 h ASP 73 CO -0.32 0.58 0.33 1.23 -3.12 0.00 0.00 179.24 177.93 1xz7 h GLY 74 N 0.89 0.97 2.00 2.75 0.00 -0.36 -2.50 103.07 106.81 1xz7 h GLY 74 Ca 0.22 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1xz7 h GLY 74 CO -0.04 0.42 0.00 1.41 0.00 0.00 0.00 176.54 178.33 1xz7 h LEU 75 N 0.91 0.00 -0.18 3.11 3.38 0.09 0.18 115.31 122.80 1xz7 h LEU 75 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1xz7 h LEU 75 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1xz7 h LEU 75 CO -0.03 0.00 -0.21 0.00 0.09 0.00 0.00 178.44 178.28 1xz7 n ALA 76 N -2.08 2.94 -2.58 1.53 0.00 -0.94 -4.15 120.51 115.22 1xz7 n ALA 76 Ca -0.02 -0.28 -0.15 0.00 0.00 0.00 0.00 53.44 52.99 1xz7 n ALA 76 Cb 0.16 -1.27 0.02 0.00 0.00 0.00 0.00 19.45 18.36 1xz7 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xz7 n HIS 77 N -1.13 1.97 0.29 0.00 8.25 0.63 -4.91 115.22 120.32 1xz7 n HIS 77 Ca 0.11 -2.80 0.17 0.00 -0.26 0.00 0.00 57.72 54.93 1xz7 n HIS 77 Cb 0.31 -0.27 0.90 0.00 1.12 0.00 0.00 29.99 32.06 1xz7 n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1xz7 h LEU 78 N 2.78 0.00 -0.08 2.41 3.38 -1.70 -0.89 115.31 121.22 1xz7 h LEU 78 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1xz7 h LEU 78 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1xz7 h LEU 78 CO 0.60 0.05 -0.24 0.47 0.09 0.00 0.00 178.44 179.40 1xz7 n ASP 79 N -3.44 0.36 -3.10 -0.43 8.00 -1.26 -4.16 116.55 112.52 1xz7 n ASP 79 Ca -0.02 -0.12 -0.17 0.00 0.71 0.00 0.00 54.79 55.20 1xz7 n ASP 79 Cb 0.17 -0.07 -0.01 0.00 -0.02 0.00 0.00 41.12 41.19 1xz7 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1xz7 n ASN 80 N -1.33 0.12 -0.15 -2.24 5.15 -0.35 -4.86 115.26 111.59 1xz7 n ASN 80 Ca 0.08 -3.11 -0.06 0.00 -0.60 0.00 0.00 54.58 50.89 1xz7 n ASN 80 Cb 0.32 -0.11 0.10 0.00 -0.53 0.00 0.00 39.78 39.57 1xz7 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1xz7 h LEU 81 N 3.11 0.88 -0.46 1.20 3.38 -1.72 -1.86 115.31 119.84 1xz7 h LEU 81 Ca 0.06 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1xz7 h LEU 81 Cb 0.99 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1xz7 h LEU 81 CO 0.43 0.95 0.18 0.11 0.09 0.00 0.00 178.44 180.20 1xz7 h LYS 82 N 0.84 0.69 -0.50 1.13 1.57 -1.91 -2.08 116.57 116.31 1xz7 h LYS 82 Ca 0.16 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 1xz7 h LYS 82 Cb 0.50 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1xz7 h LYS 82 CO 0.02 0.63 0.08 0.78 -0.57 0.00 0.00 179.45 180.39 1xz7 h GLY 83 N 0.60 0.90 1.29 3.86 0.00 -1.93 -1.92 103.07 105.87 1xz7 h GLY 83 Ca 0.15 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 1xz7 h GLY 83 CO -0.01 0.56 0.36 -0.84 0.00 0.00 0.00 176.54 176.61 1xz7 h THR 84 N 0.71 1.20 -0.32 4.70 2.02 -1.12 -3.01 112.91 117.09 1xz7 h THR 84 Ca 0.15 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1xz7 h THR 84 Cb 0.41 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1xz7 h THR 84 CO 0.01 0.23 0.00 0.49 0.37 0.00 0.00 175.52 176.62 1xz7 n PHE 85 N -4.37 0.40 -0.06 3.16 3.72 -0.80 -4.68 117.46 114.84 1xz7 n PHE 85 Ca 0.07 -0.21 -0.09 0.00 -0.05 0.00 0.00 57.45 57.16 1xz7 n PHE 85 Cb 0.10 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.62 1xz7 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xz7 h ALA 86 N 4.30 -0.25 -0.30 4.37 0.00 -1.21 0.19 119.26 126.36 1xz7 h ALA 86 Ca 0.00 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1xz7 h ALA 86 Cb 0.95 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1xz7 h ALA 86 CO 0.00 -0.75 -0.24 1.79 0.00 0.00 0.00 179.25 180.06 1xz7 h THR 87 N -0.31 1.27 -0.32 0.00 1.35 -1.83 -1.38 112.91 111.68 1xz7 h THR 87 Ca 0.13 -1.28 -0.09 0.00 -0.55 0.00 0.00 66.41 64.62 1xz7 h THR 87 Cb 0.53 1.30 -0.02 0.00 -1.73 0.00 0.00 68.15 68.23 1xz7 h THR 87 CO -0.43 0.41 -0.19 -0.07 -0.25 0.00 0.00 175.52 174.99 1xz7 h LEU 88 N 0.51 0.60 -0.02 3.87 4.07 -1.76 -2.18 115.31 120.40 1xz7 h LEU 88 Ca 0.07 -0.19 -0.00 0.00 0.08 0.00 0.00 57.88 57.84 1xz7 h LEU 88 Cb 0.68 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 42.26 1xz7 h LEU 88 CO 0.05 0.79 0.01 -1.28 -1.08 0.00 0.00 178.44 176.93 1xz7 h SER 89 N 0.54 0.02 -0.90 -0.43 0.87 0.09 -0.25 113.55 113.49 1xz7 h SER 89 Ca 0.09 -0.08 0.05 0.00 -1.23 0.00 0.00 61.79 60.62 1xz7 h SER 89 Cb 0.63 -0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.52 1xz7 h SER 89 CO 0.04 0.10 0.57 -0.33 -0.53 0.00 0.00 176.83 176.68 1xz7 h GLU 90 N -0.05 1.03 -0.25 2.24 5.08 -1.18 -1.50 114.58 119.95 1xz7 h GLU 90 Ca 0.01 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1xz7 h GLU 90 Cb 0.08 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1xz7 h GLU 90 CO -0.00 0.68 -0.06 1.25 -1.00 0.00 0.00 179.01 179.88 1xz7 h LEU 91 N 1.06 0.48 -1.43 1.33 5.85 -1.05 0.73 115.31 122.29 1xz7 h LEU 91 Ca 0.38 -0.36 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1xz7 h LEU 91 Cb 0.11 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1xz7 h LEU 91 CO -0.15 0.73 -0.27 0.45 -0.34 0.00 0.00 178.44 178.86 1xz7 h HIS 92 N 0.22 0.03 0.00 1.25 3.86 -0.65 -1.22 115.15 118.64 1xz7 h HIS 92 Ca 0.06 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1xz7 h HIS 92 Cb 0.52 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.98 1xz7 h HIS 92 CO 0.05 0.30 -0.02 0.00 0.86 0.00 0.00 177.93 179.12 1xz7 h ASP 94 N -1.00 0.22 0.00 0.00 3.32 -0.89 -3.15 116.42 114.93 1xz7 h ASP 94 Ca -0.00 -0.22 -0.44 0.00 0.02 0.00 0.00 57.03 56.39 1xz7 h ASP 94 Cb 0.27 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 39.68 1xz7 h ASP 94 CO -0.00 1.11 -2.48 0.29 -1.72 0.00 0.00 179.24 176.44 1xz7 n LYS 95 N -3.52 0.57 0.08 3.56 4.01 -0.52 -4.73 118.16 117.61 1xz7 n LYS 95 Ca -0.04 0.24 0.06 0.00 -0.51 0.00 0.00 58.31 58.05 1xz7 n LYS 95 Cb 0.92 -1.45 -0.03 0.00 -0.51 0.00 0.00 35.03 33.96 1xz7 n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1xz7 h LEU 96 N -0.84 0.00 -1.33 -0.35 3.38 -1.50 -3.49 115.31 111.17 1xz7 h LEU 96 Ca -0.66 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 56.93 1xz7 h LEU 96 Cb 1.62 0.00 0.13 0.00 0.09 0.00 0.00 40.66 42.50 1xz7 h LEU 96 CO -0.37 0.29 -0.74 1.41 0.09 0.00 0.00 178.44 179.11 1xz7 n HIS 97 N -2.83 -2.42 -3.28 1.13 8.25 -0.39 -4.97 115.22 110.72 1xz7 n HIS 97 Ca -0.04 0.96 -0.40 0.00 -0.26 0.00 0.00 57.72 57.98 1xz7 n HIS 97 Cb 0.69 -4.92 -0.08 0.00 1.12 0.00 0.00 29.99 26.80 1xz7 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1xz7 s VAL 98 N -3.38 5.10 0.07 1.59 1.01 -0.66 -5.03 120.40 119.10 1xz7 s VAL 98 Ca 0.26 0.80 -0.31 0.00 0.00 0.00 0.00 61.98 62.73 1xz7 s VAL 98 Cb -0.12 -3.79 -0.10 0.00 0.00 0.00 0.00 36.38 32.37 1xz7 s VAL 98 CO 0.75 0.10 1.89 -0.67 0.00 0.00 0.00 175.10 177.17 1xz7 n ASP 99 N 5.48 4.02 0.30 3.32 -0.08 -1.26 -4.75 116.55 123.58 1xz7 n ASP 99 Ca -0.05 0.96 0.20 0.00 -1.51 0.00 0.00 54.79 54.38 1xz7 n ASP 99 Cb 0.50 -1.52 1.05 0.00 2.34 0.00 0.00 41.12 43.49 1xz7 n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1xz7 h PRO 100 N 9.34 0.00 -0.57 -0.67 0.11 -1.96 -1.19 132.00 137.05 1xz7 h PRO 100 Ca -0.48 0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.78 1xz7 h PRO 100 Cb 1.23 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 1xz7 h PRO 100 CO 0.94 0.00 0.40 1.49 -0.21 0.00 0.00 178.00 180.63 1xz7 h GLU 101 N 0.00 0.07 0.00 1.05 4.57 -1.97 -0.43 114.58 117.86 1xz7 h GLU 101 Ca 0.00 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1xz7 h GLU 101 Cb 0.06 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1xz7 h GLU 101 CO 0.00 0.04 -0.09 -0.91 -1.18 0.00 0.00 179.01 176.87 1xz7 h ASN 102 N 0.07 0.00 0.05 1.04 -0.26 -1.59 -2.03 115.58 112.86 1xz7 h ASN 102 Ca 0.27 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.93 1xz7 h ASN 102 Cb 0.99 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.24 1xz7 h ASN 102 CO -0.02 0.09 -0.23 -0.26 -1.06 0.00 0.00 177.43 175.95 1xz7 h PHE 103 N 0.00 0.34 -0.13 1.19 0.04 -1.27 -0.86 116.94 116.25 1xz7 h PHE 103 Ca -0.00 -0.06 -0.18 0.00 2.80 0.00 0.00 57.97 60.53 1xz7 h PHE 103 Cb 0.17 -0.09 0.01 0.00 2.20 0.00 0.00 35.95 38.24 1xz7 h PHE 103 CO 0.00 0.53 -0.61 0.00 -0.60 0.00 0.00 178.31 177.63 1xz7 h ARG 104 N 0.28 0.65 -0.48 1.51 3.08 -1.43 -1.95 114.38 116.05 1xz7 h ARG 104 Ca 0.05 -0.52 -0.00 0.00 0.07 0.00 0.00 59.98 59.57 1xz7 h ARG 104 Cb 0.57 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1xz7 h ARG 104 CO 0.04 1.14 0.30 -0.07 -1.07 0.00 0.00 179.97 180.31 1xz7 h LEU 105 N 0.32 0.56 -1.06 3.04 3.38 -1.17 -2.08 115.31 118.30 1xz7 h LEU 105 Ca -0.04 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1xz7 h LEU 105 Cb 1.25 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 1xz7 h LEU 105 CO 0.13 0.44 0.45 0.25 0.09 0.00 0.00 178.44 179.80 1xz7 h LEU 106 N 0.64 0.98 -0.57 1.67 5.85 -1.15 -1.06 115.31 121.67 1xz7 h LEU 106 Ca 0.17 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1xz7 h LEU 106 Cb -0.03 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 1xz7 h LEU 106 CO -0.03 0.78 0.32 1.23 -0.34 0.00 0.00 178.44 180.39 1xz7 h GLY 107 N 1.14 0.86 1.14 3.75 0.00 -0.97 0.29 103.07 109.28 1xz7 h GLY 107 Ca 0.28 -0.39 -0.12 0.00 0.00 0.00 0.00 47.33 47.11 1xz7 h GLY 107 CO -0.05 0.37 -0.14 3.43 0.00 0.00 0.00 176.54 180.15 1xz7 h ASN 108 N 0.78 1.01 -0.50 0.19 2.35 -1.10 -1.89 115.58 116.42 1xz7 h ASN 108 Ca 0.20 -0.35 -0.04 0.00 -0.55 0.00 0.00 56.30 55.56 1xz7 h ASN 108 Cb 0.04 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 1xz7 h ASN 108 CO -0.03 1.13 0.16 0.58 -1.65 0.00 0.00 177.43 177.62 1xz7 h VAL 109 N 0.88 1.22 -0.74 2.81 2.07 -0.87 -1.83 116.25 119.79 1xz7 h VAL 109 Ca 0.13 -0.76 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 1xz7 h VAL 109 Cb 0.71 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1xz7 h VAL 109 CO 0.05 0.29 0.31 0.25 0.02 0.00 0.00 177.57 178.50 1xz7 h LEU 110 N 0.81 1.00 -0.51 2.57 5.85 -0.69 -0.61 115.31 123.72 1xz7 h LEU 110 Ca 0.18 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1xz7 h LEU 110 Cb 0.25 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1xz7 h LEU 110 CO -0.01 0.88 0.30 0.58 -0.34 0.00 0.00 178.44 179.86 1xz7 h VAL 111 N 1.05 1.16 -0.89 1.05 2.07 -0.97 0.15 116.25 119.88 1xz7 h VAL 111 Ca 0.25 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.39 1xz7 h VAL 111 Cb 0.18 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1xz7 h VAL 111 CO -0.02 0.17 0.58 0.00 0.02 0.00 0.00 177.57 178.31 1xz7 h VAL 113 N 1.21 1.24 -0.52 0.00 2.07 -0.20 -0.23 116.25 119.81 1xz7 h VAL 113 Ca 0.32 -0.83 0.03 0.00 0.82 0.00 0.00 66.70 67.03 1xz7 h VAL 113 Cb -0.12 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1xz7 h VAL 113 CO -0.07 0.30 0.31 -0.07 0.02 0.00 0.00 177.57 178.06 1xz7 h LEU 114 N 0.65 0.50 -0.71 2.57 3.38 -0.57 -0.97 115.31 120.14 1xz7 h LEU 114 Ca 0.15 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1xz7 h LEU 114 Cb 0.33 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1xz7 h LEU 114 CO 0.00 0.35 0.43 0.00 0.09 0.00 0.00 178.44 179.31 1xz7 h ALA 115 N 1.23 0.91 -0.77 1.53 0.00 -0.94 -0.48 119.26 120.74 1xz7 h ALA 115 Ca 0.21 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1xz7 h ALA 115 Cb 0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1xz7 h ALA 115 CO -0.10 0.38 0.31 1.25 0.00 0.00 0.00 179.25 181.09 1xz7 h HIS 116 N 0.97 1.15 0.07 0.00 -0.00 -0.58 0.19 115.15 116.95 1xz7 h HIS 116 Ca 0.26 -0.08 -0.24 0.00 -0.00 0.00 0.00 60.37 60.30 1xz7 h HIS 116 Cb -0.04 -0.35 0.02 0.00 -0.00 0.00 0.00 27.41 27.05 1xz7 h HIS 116 CO -0.01 0.87 -0.99 0.45 -0.00 0.00 0.00 177.93 178.25 1xz7 h HIS 117 N 1.11 0.87 0.00 5.26 -0.00 -0.72 -3.37 115.15 118.30 1xz7 h HIS 117 Ca 0.26 -0.52 0.00 0.00 -0.00 0.00 0.00 60.37 60.11 1xz7 h HIS 117 Cb 0.20 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.53 1xz7 h HIS 117 CO 0.02 1.36 -1.36 1.19 -0.00 0.00 0.00 177.93 179.14 1xz7 n PHE 118 N -3.95 0.08 -1.45 2.45 3.72 -0.23 -5.04 117.46 113.03 1xz7 n PHE 118 Ca -0.12 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1xz7 n PHE 118 Cb 0.87 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 1xz7 n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xz7 n GLY 119 N 1.38 3.25 0.33 1.37 0.00 0.05 -2.48 105.19 109.08 1xz7 n GLY 119 Ca 0.01 -0.17 0.20 0.00 0.00 0.00 0.00 46.02 46.05 1xz7 n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1xz7 h LYS 120 N 0.00 0.29 -0.00 1.61 -0.00 -1.97 -0.47 116.57 116.04 1xz7 h LYS 120 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.63 1xz7 h LYS 120 Cb 0.00 -0.07 -0.00 0.00 -0.00 0.00 0.00 32.23 32.16 1xz7 h LYS 120 CO 0.00 0.19 0.07 1.49 -0.00 0.00 0.00 179.45 181.21 1xz7 h GLU 121 N 0.30 0.00 -4.23 0.07 4.81 -1.88 -3.22 114.58 110.43 1xz7 h GLU 121 Ca 0.67 0.00 -0.76 0.00 -0.13 0.00 0.00 59.36 59.14 1xz7 h GLU 121 Cb 1.45 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.63 1xz7 h GLU 121 CO -0.62 0.00 1.31 0.34 -0.73 0.00 0.00 179.01 179.31 1xz7 n PHE 122 N -3.08 4.51 -1.56 0.92 7.35 -0.19 -4.96 117.46 120.47 1xz7 n PHE 122 Ca -0.03 -3.31 -0.30 0.00 -0.76 0.00 0.00 57.45 53.06 1xz7 n PHE 122 Cb 0.14 -2.02 0.08 0.00 0.35 0.00 0.00 39.48 38.03 1xz7 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1xz7 s THR 123 N 0.64 3.32 0.20 -2.13 -4.23 -1.22 -4.70 115.64 107.52 1xz7 s THR 123 Ca 0.40 0.43 -0.13 0.00 -1.18 0.00 0.00 61.69 61.21 1xz7 s THR 123 Cb -0.01 -3.17 0.16 0.00 1.34 0.00 0.00 72.50 70.81 1xz7 s THR 123 CO -0.00 -0.56 1.67 -0.65 -0.54 0.00 0.00 174.62 174.54 1xz7 h PRO 124 N -0.99 0.10 -0.70 3.99 0.11 -1.94 0.13 132.00 132.70 1xz7 h PRO 124 Ca -0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1xz7 h PRO 124 Cb 1.25 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1xz7 h PRO 124 CO 0.59 0.07 0.39 -1.35 -0.21 0.00 0.00 178.00 177.48 1xz7 h PRO 125 N 0.11 0.97 -0.17 1.05 0.11 -1.99 -0.75 132.00 131.31 1xz7 h PRO 125 Ca 0.27 -0.10 -0.03 0.00 0.11 0.00 0.00 66.00 66.25 1xz7 h PRO 125 Cb 0.42 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 1xz7 h PRO 125 CO -0.46 0.71 -0.01 0.28 -0.21 0.00 0.00 178.00 178.31 1xz7 h VAL 126 N 0.98 1.26 -0.42 3.15 2.07 -1.68 -2.29 116.25 119.32 1xz7 h VAL 126 Ca 0.25 -0.87 0.06 0.00 0.82 0.00 0.00 66.70 66.96 1xz7 h VAL 126 Cb 0.02 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 1xz7 h VAL 126 CO -0.04 0.26 0.10 -0.61 0.02 0.00 0.00 177.57 177.30 1xz7 h GLN 127 N 0.05 0.23 -0.92 1.57 4.15 -0.45 -1.30 115.11 118.45 1xz7 h GLN 127 Ca 0.05 -0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.60 1xz7 h GLN 127 Cb 0.40 -0.05 -0.07 0.00 0.21 0.00 0.00 27.48 27.96 1xz7 h GLN 127 CO 0.01 0.15 0.59 0.00 -1.93 0.00 0.00 178.83 177.65 1xz7 h ALA 128 N 1.31 1.77 -0.23 3.38 0.00 -0.85 0.21 119.26 124.84 1xz7 h ALA 128 Ca 0.20 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 1xz7 h ALA 128 Cb 0.24 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1xz7 h ALA 128 CO -0.25 -0.02 -0.33 0.00 0.00 0.00 0.00 179.25 178.65 1xz7 h ALA 129 N 1.59 0.35 -0.10 0.00 0.00 -0.74 -2.80 119.26 117.57 1xz7 h ALA 129 Ca 0.46 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1xz7 h ALA 129 Cb 0.69 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1xz7 h ALA 129 CO -0.22 0.40 -0.10 1.88 0.00 0.00 0.00 179.25 181.21 1xz7 h TYR 130 N 0.34 0.15 -0.57 0.00 0.05 -0.12 -2.14 116.97 114.68 1xz7 h TYR 130 Ca 0.03 -0.01 -0.07 0.00 0.05 0.00 0.00 58.73 58.72 1xz7 h TYR 130 Cb 0.91 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.58 1xz7 h TYR 130 CO 0.08 0.25 0.08 1.96 -1.05 0.00 0.00 178.16 179.48 1xz7 h GLN 131 N 0.14 0.95 -0.84 4.88 1.08 -0.46 -0.49 115.11 120.37 1xz7 h GLN 131 Ca 0.03 -0.26 -0.01 0.00 -1.45 0.00 0.00 58.65 56.96 1xz7 h GLN 131 Cb 0.27 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.55 1xz7 h GLN 131 CO 0.01 0.91 0.50 0.87 -0.95 0.00 0.00 178.83 180.18 1xz7 h LYS 132 N 0.84 1.15 0.14 1.46 1.57 -1.21 -1.86 116.57 118.66 1xz7 h LYS 132 Ca 0.17 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1xz7 h LYS 132 Cb 0.43 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1xz7 h LYS 132 CO 0.01 0.82 -0.07 0.28 -0.57 0.00 0.00 179.45 179.92 1xz7 h VAL 133 N 1.16 0.98 -0.44 0.50 2.07 -1.08 -0.56 116.25 118.88 1xz7 h VAL 133 Ca 0.30 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1xz7 h VAL 133 Cb -0.03 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1xz7 h VAL 133 CO -0.06 0.13 0.18 -0.37 0.02 0.00 0.00 177.57 177.48 1xz7 h VAL 134 N -0.46 1.17 -0.23 2.57 -1.51 -1.02 0.17 116.25 116.94 1xz7 h VAL 134 Ca -0.02 -0.51 -0.11 0.00 -1.23 0.00 0.00 66.70 64.82 1xz7 h VAL 134 Cb 0.37 0.64 -0.01 0.00 -2.13 0.00 0.00 31.29 30.15 1xz7 h VAL 134 CO 0.03 0.20 -0.34 0.00 -1.23 0.00 0.00 177.57 176.24 1xz7 h ALA 135 N 1.57 1.00 -0.43 5.19 0.00 -1.24 -1.77 119.26 123.58 1xz7 h ALA 135 Ca 0.15 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 1xz7 h ALA 135 Cb 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1xz7 h ALA 135 CO -0.02 0.60 -0.27 0.78 0.00 0.00 0.00 179.25 180.35 1xz7 h GLY 136 N 1.07 1.03 1.05 0.00 0.00 -0.01 -0.67 103.07 105.53 1xz7 h GLY 136 Ca 0.05 -0.96 -0.11 0.00 0.00 0.00 0.00 47.33 46.30 1xz7 h GLY 136 CO 0.06 0.88 -0.13 -2.08 0.00 0.00 0.00 176.54 175.27 1xz7 h VAL 137 N 0.78 1.27 -0.64 4.60 2.07 -0.93 -1.50 116.25 121.90 1xz7 h VAL 137 Ca 0.09 -1.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 1xz7 h VAL 137 Cb 0.85 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1xz7 h VAL 137 CO 0.08 0.44 0.32 0.00 0.02 0.00 0.00 177.57 178.42 1xz7 h ALA 138 N 0.88 0.82 -0.78 1.67 0.00 -1.20 -0.20 119.26 120.45 1xz7 h ALA 138 Ca 0.12 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1xz7 h ALA 138 Cb 0.68 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1xz7 h ALA 138 CO 0.05 0.37 0.29 -0.91 0.00 0.00 0.00 179.25 179.06 1xz7 h ASN 139 N 0.88 1.10 -0.44 0.00 2.35 -1.02 -1.56 115.58 116.89 1xz7 h ASN 139 Ca 0.22 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.72 1xz7 h ASN 139 Cb 0.09 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 1xz7 h ASN 139 CO -0.03 0.98 -0.00 0.00 -1.65 0.00 0.00 177.43 176.73 1xz7 h ALA 140 N 1.17 0.59 0.00 -0.83 0.00 -0.98 -2.61 119.26 116.61 1xz7 h ALA 140 Ca 0.26 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1xz7 h ALA 140 Cb 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1xz7 h ALA 140 CO -0.02 0.38 -0.20 -0.07 0.00 0.00 0.00 179.25 179.35 1xz7 h LEU 141 N 0.62 0.00 -0.28 0.00 3.38 -0.86 -2.72 115.31 115.45 1xz7 h LEU 141 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1xz7 h LEU 141 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1xz7 h LEU 141 CO 0.02 0.20 -0.27 0.00 0.09 0.00 0.00 178.44 178.48 1xz7 n ALA 142 N -2.25 3.08 0.17 1.53 0.00 -0.60 -4.41 120.51 118.02 1xz7 n ALA 142 Ca -0.01 -0.34 0.04 0.00 0.00 0.00 0.00 53.44 53.13 1xz7 n ALA 142 Cb 0.36 -1.20 0.28 0.00 0.00 0.00 0.00 19.45 18.89 1xz7 n ALA 142 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1xz7 h HIS 143 N 0.69 0.00 -0.37 0.00 2.07 -1.13 -2.67 115.15 113.73 1xz7 h HIS 143 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1xz7 h HIS 143 Cb 0.47 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.45 1xz7 h HIS 143 CO 0.00 0.43 0.00 1.63 -3.07 0.00 0.00 177.93 176.92 1xz7 n LYS 144 N -3.55 2.12 -2.12 5.12 4.76 -1.26 -4.93 118.16 118.30 1xz7 n LYS 144 Ca -0.00 -1.71 -0.37 0.00 -2.87 0.00 0.00 58.31 53.36 1xz7 n LYS 144 Cb 0.55 -1.42 0.01 0.00 -1.84 0.00 0.00 35.03 32.32 1xz7 n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1xz7 s TYR 145 N -1.52 2.68 0.00 2.13 1.51 -1.01 -4.77 117.35 116.37 1xz7 s TYR 145 Ca 0.35 1.49 0.00 0.00 -1.01 0.00 0.00 57.07 57.90 1xz7 s TYR 145 Cb 0.19 -3.49 0.00 0.00 -0.11 0.00 0.00 41.96 38.55 1xz7 s TYR 145 CO 0.26 -1.91 0.00 -2.39 -1.11 0.00 0.00 175.55 170.40