#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xz4 s HIS 2 N 0.00 2.62 0.11 6.34 5.04 -1.26 -4.73 115.29 123.41 1xz4 s HIS 2 Ca 0.00 -0.82 0.04 0.00 -1.54 0.00 0.00 55.06 52.74 1xz4 s HIS 2 Cb 0.00 -4.58 -0.04 0.00 0.04 0.00 0.00 32.58 28.00 1xz4 s HIS 2 CO 0.00 -1.85 0.09 -0.51 -2.34 0.00 0.00 174.74 170.13 1xz4 s LEU 3 N 4.56 3.77 0.59 8.88 1.43 -1.26 -5.11 118.68 131.54 1xz4 s LEU 3 Ca 0.40 -0.06 -0.14 0.00 -1.03 0.00 0.00 54.13 53.29 1xz4 s LEU 3 Cb -0.03 -2.43 -0.05 0.00 0.03 0.00 0.00 46.19 43.71 1xz4 s LEU 3 CO -0.05 0.14 1.03 0.42 0.23 0.00 0.00 176.35 178.12 1xz4 s THR 4 N -1.49 4.29 0.61 5.49 -4.23 -1.26 -4.80 115.64 114.25 1xz4 s THR 4 Ca 0.29 0.96 0.32 0.00 -1.18 0.00 0.00 61.69 62.08 1xz4 s THR 4 Cb -0.11 -3.61 0.37 0.00 1.34 0.00 0.00 72.50 70.48 1xz4 s THR 4 CO 0.22 -0.76 2.19 -0.65 -0.54 0.00 0.00 174.62 175.08 1xz4 h PRO 5 N 0.27 0.00 0.00 3.99 0.11 -1.99 0.56 132.00 134.94 1xz4 h PRO 5 Ca -0.46 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.47 1xz4 h PRO 5 Cb 1.20 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 1xz4 h PRO 5 CO 0.60 0.00 -0.94 0.93 -0.21 0.00 0.00 178.00 178.38 1xz4 h GLU 6 N 0.00 0.00 -0.06 1.05 4.39 -1.99 -2.42 114.58 115.55 1xz4 h GLU 6 Ca 0.04 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.63 1xz4 h GLU 6 Cb 0.25 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1xz4 h GLU 6 CO -0.00 0.78 -0.37 0.93 -1.16 0.00 0.00 179.01 179.18 1xz4 h GLU 7 N 0.00 0.36 -0.98 2.33 5.08 -0.48 -2.43 114.58 118.46 1xz4 h GLU 7 Ca -0.04 -0.31 0.05 0.00 -1.00 0.00 0.00 59.36 58.07 1xz4 h GLU 7 Cb 1.67 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.92 1xz4 h GLU 7 CO 0.10 0.96 0.64 -0.22 -1.00 0.00 0.00 179.01 179.49 1xz4 h LYS 8 N -0.13 1.15 -0.09 2.33 3.11 -0.35 0.24 116.57 122.83 1xz4 h LYS 8 Ca -0.03 -0.07 -0.16 0.00 -2.81 0.00 0.00 60.65 57.58 1xz4 h LYS 8 Cb 1.04 -0.26 -0.01 0.00 -1.00 0.00 0.00 32.23 32.00 1xz4 h LYS 8 CO 0.08 0.76 -0.65 0.77 -2.81 0.00 0.00 179.45 177.60 1xz4 h SER 9 N 1.18 0.41 -0.49 4.20 0.02 -1.42 -1.92 113.55 115.53 1xz4 h SER 9 Ca 0.41 -0.25 -0.12 0.00 -0.84 0.00 0.00 61.79 61.00 1xz4 h SER 9 Cb 0.11 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1xz4 h SER 9 CO -0.15 0.95 -0.16 0.00 -1.14 0.00 0.00 176.83 176.33 1xz4 h ALA 10 N 1.05 0.68 -0.12 3.77 0.00 -0.72 -1.04 119.26 122.87 1xz4 h ALA 10 Ca -0.01 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1xz4 h ALA 10 Cb 1.19 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1xz4 h ALA 10 CO 0.11 0.63 0.07 0.28 0.00 0.00 0.00 179.25 180.34 1xz4 h VAL 11 N 0.83 1.07 -0.24 0.00 2.07 -0.72 -2.81 116.25 116.44 1xz4 h VAL 11 Ca 0.12 -0.19 -0.16 0.00 0.82 0.00 0.00 66.70 67.29 1xz4 h VAL 11 Cb 0.73 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1xz4 h VAL 11 CO 0.06 0.07 -0.49 0.71 0.02 0.00 0.00 177.57 177.93 1xz4 h THR 12 N 0.12 1.30 -0.57 2.57 1.35 -1.28 -1.82 112.91 114.58 1xz4 h THR 12 Ca 0.04 -1.70 -0.05 0.00 -0.55 0.00 0.00 66.41 64.15 1xz4 h THR 12 Cb 0.05 1.64 -0.03 0.00 -1.73 0.00 0.00 68.15 68.08 1xz4 h THR 12 CO -0.01 0.54 0.14 0.00 -0.25 0.00 0.00 175.52 175.94 1xz4 h ALA 13 N 0.94 1.19 -0.09 6.62 0.00 -1.13 -2.85 119.26 123.93 1xz4 h ALA 13 Ca 0.02 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.53 1xz4 h ALA 13 Cb 1.04 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1xz4 h ALA 13 CO 0.10 0.56 -0.73 1.25 0.00 0.00 0.00 179.25 180.42 1xz4 h LEU 14 N 0.84 0.80 -1.87 0.00 5.85 -1.25 -3.29 115.31 116.39 1xz4 h LEU 14 Ca 0.18 -0.67 0.06 0.00 0.84 0.00 0.00 57.88 58.29 1xz4 h LEU 14 Cb 0.30 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1xz4 h LEU 14 CO -0.00 1.35 0.21 -0.25 -0.34 0.00 0.00 178.44 179.41 1xz4 h TRP 15 N 0.31 0.17 0.00 1.25 2.91 -1.20 -1.58 115.95 117.80 1xz4 h TRP 15 Ca -0.07 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.96 1xz4 h TRP 15 Cb 1.38 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 29.98 1xz4 h TRP 15 CO 0.11 0.09 0.00 0.78 -1.03 0.00 0.00 178.44 178.39 1xz4 h GLY 16 N 0.17 0.00 -1.41 2.65 0.00 -1.58 -1.23 103.07 101.67 1xz4 h GLY 16 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1xz4 h GLY 16 CO -0.02 0.00 -0.18 0.28 0.00 0.00 0.00 176.54 176.62 1xz4 n LYS 17 N -3.00 1.83 -3.04 4.80 5.02 -0.60 -4.92 118.16 118.25 1xz4 n LYS 17 Ca -0.03 -1.48 -0.40 0.00 -2.02 0.00 0.00 58.31 54.39 1xz4 n LYS 17 Cb 0.08 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.57 1xz4 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xz4 s VAL 18 N -2.19 5.00 -0.72 -0.18 1.01 -0.47 -5.01 120.40 117.84 1xz4 s VAL 18 Ca 0.25 1.39 -0.26 0.00 0.00 0.00 0.00 61.98 63.36 1xz4 s VAL 18 Cb 0.19 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.59 1xz4 s VAL 18 CO 0.41 0.14 1.22 0.21 0.00 0.00 0.00 175.10 177.08 1xz4 s ASN 19 N 1.04 6.16 0.41 3.32 3.84 -1.26 -4.87 114.94 123.58 1xz4 s ASN 19 Ca 0.34 -0.56 0.11 0.00 0.21 0.00 0.00 52.86 52.97 1xz4 s ASN 19 Cb -0.17 -2.53 0.88 0.00 -0.55 0.00 0.00 41.25 38.88 1xz4 s ASN 19 CO 0.13 -1.76 1.96 -0.37 -2.79 0.00 0.00 177.10 174.27 1xz4 h VAL 20 N 6.02 1.15 0.68 -5.21 -1.51 -1.95 -1.29 116.25 114.15 1xz4 h VAL 20 Ca -0.28 -0.66 -0.03 0.00 -1.23 0.00 0.00 66.70 64.50 1xz4 h VAL 20 Cb 1.05 1.19 -0.01 0.00 -2.13 0.00 0.00 31.29 31.40 1xz4 h VAL 20 CO 1.26 0.20 -0.49 0.44 -1.23 0.00 0.00 177.57 177.75 1xz4 h ASP 21 N 0.17 -1.28 -0.14 4.19 3.32 -1.91 0.56 116.42 121.33 1xz4 h ASP 21 Ca 0.04 0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.21 1xz4 h ASP 21 Cb 0.31 0.39 -0.05 0.00 0.22 0.00 0.00 39.33 40.21 1xz4 h ASP 21 CO 0.02 -0.72 -0.14 -0.33 -1.72 0.00 0.00 179.24 176.35 1xz4 h GLU 22 N -1.13 -0.16 -0.75 3.56 5.08 -1.74 -2.98 114.58 116.46 1xz4 h GLU 22 Ca -0.09 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1xz4 h GLU 22 Cb 0.93 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 1xz4 h GLU 22 CO 0.04 -0.11 0.28 0.28 -1.00 0.00 0.00 179.01 178.50 1xz4 h VAL 23 N -0.17 1.26 -0.10 3.13 2.07 -1.26 -2.62 116.25 118.57 1xz4 h VAL 23 Ca 0.10 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.78 1xz4 h VAL 23 Cb 0.31 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1xz4 h VAL 23 CO -0.24 0.34 0.04 1.23 0.02 0.00 0.00 177.57 178.96 1xz4 h GLY 24 N 1.10 0.12 0.98 2.17 0.00 -0.76 -0.06 103.07 106.61 1xz4 h GLY 24 Ca 0.25 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.52 1xz4 h GLY 24 CO -0.02 0.02 0.24 -1.33 0.00 0.00 0.00 176.54 175.46 1xz4 h GLY 25 N 0.09 0.88 0.92 4.60 0.00 -1.43 -1.82 103.07 106.32 1xz4 h GLY 25 Ca 0.04 -0.46 0.01 0.00 0.00 0.00 0.00 47.33 46.92 1xz4 h GLY 25 CO -0.03 0.44 0.21 -2.09 0.00 0.00 0.00 176.54 175.06 1xz4 h GLU 26 N 0.75 0.41 -0.06 4.80 4.57 -1.35 -0.61 114.58 123.10 1xz4 h GLU 26 Ca 0.19 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1xz4 h GLU 26 Cb 0.17 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1xz4 h GLU 26 CO -0.02 0.27 0.03 0.00 -1.18 0.00 0.00 179.01 178.11 1xz4 h ALA 27 N 1.15 0.08 -0.62 2.92 0.00 -0.88 0.42 119.26 122.34 1xz4 h ALA 27 Ca 0.14 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1xz4 h ALA 27 Cb -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1xz4 h ALA 27 CO -0.06 -0.34 0.09 1.25 0.00 0.00 0.00 179.25 180.18 1xz4 h LEU 28 N -0.04 0.97 -0.19 0.00 5.85 -1.32 -1.74 115.31 118.84 1xz4 h LEU 28 Ca 0.02 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 1xz4 h LEU 28 Cb 0.15 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1xz4 h LEU 28 CO -0.00 0.97 0.05 1.23 -0.34 0.00 0.00 178.44 180.35 1xz4 h GLY 29 N 1.03 0.33 1.32 3.75 0.00 -0.97 -2.44 103.07 106.08 1xz4 h GLY 29 Ca 0.19 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 1xz4 h GLY 29 CO 0.01 0.19 0.33 3.21 0.00 0.00 0.00 176.54 180.28 1xz4 h ARG 30 N 0.12 0.89 -0.41 4.80 3.08 -0.83 -1.59 114.38 120.44 1xz4 h ARG 30 Ca 0.06 -0.10 0.04 0.00 0.07 0.00 0.00 59.98 60.04 1xz4 h ARG 30 Cb 0.27 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 1xz4 h ARG 30 CO 0.00 0.67 0.19 1.25 -1.07 0.00 0.00 179.97 181.02 1xz4 h LEU 31 N 0.90 0.27 -1.31 3.04 5.85 -0.87 0.18 115.31 123.37 1xz4 h LEU 31 Ca 0.23 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.90 1xz4 h LEU 31 Cb 0.06 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1xz4 h LEU 31 CO -0.03 0.19 -0.34 -0.07 -0.34 0.00 0.00 178.44 177.85 1xz4 h LEU 32 N 0.39 0.00 0.03 2.25 3.38 -1.03 -1.15 115.31 119.19 1xz4 h LEU 32 Ca 0.18 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1xz4 h LEU 32 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1xz4 h LEU 32 CO -0.14 0.34 -0.18 0.58 0.09 0.00 0.00 178.44 179.13 1xz4 h VAL 33 N 0.00 1.72 0.03 1.22 2.07 -0.61 -3.29 116.25 117.38 1xz4 h VAL 33 Ca -0.00 -2.33 -0.22 0.00 0.82 0.00 0.00 66.70 64.96 1xz4 h VAL 33 Cb 0.64 3.29 -0.00 0.00 -1.52 0.00 0.00 31.29 33.70 1xz4 h VAL 33 CO 0.04 0.62 -0.97 0.58 0.02 0.00 0.00 177.57 177.86 1xz4 h VAL 34 N -0.83 1.47 -2.56 2.57 2.07 -0.62 -3.35 116.25 115.02 1xz4 h VAL 34 Ca -0.03 -2.68 -0.60 0.00 0.82 0.00 0.00 66.70 64.21 1xz4 h VAL 34 Cb 1.12 2.55 -0.41 0.00 -1.52 0.00 0.00 31.29 33.03 1xz4 h VAL 34 CO 0.03 0.79 -0.66 -1.22 0.02 0.00 0.00 177.57 176.53 1xz4 n TYR 35 N -3.65 2.73 -0.32 1.57 4.01 -0.44 -5.00 117.16 116.06 1xz4 n TYR 35 Ca -0.05 -4.10 0.27 0.00 -0.16 0.00 0.00 57.90 53.86 1xz4 n TYR 35 Cb 0.86 -0.50 0.59 0.00 -0.31 0.00 0.00 39.34 39.98 1xz4 n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1xz4 h PRO 36 N 4.78 0.25 0.00 -0.72 0.11 -1.70 -1.86 132.00 132.87 1xz4 h PRO 36 Ca 0.17 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1xz4 h PRO 36 Cb 0.74 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.79 1xz4 h PRO 36 CO 0.71 0.17 0.00 0.11 -0.21 0.00 0.00 178.00 178.78 1xz4 h TRP 37 N 0.26 0.00 0.00 0.65 0.09 -1.93 -1.11 115.95 113.92 1xz4 h TRP 37 Ca 0.59 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.57 1xz4 h TRP 37 Cb 1.76 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.00 1xz4 h TRP 37 CO -0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1xz4 n THR 38 N -2.77 1.00 0.31 0.12 -2.24 -0.70 -2.72 114.28 107.28 1xz4 n THR 38 Ca -0.02 0.25 0.16 0.00 -2.27 0.00 0.00 64.05 62.17 1xz4 n THR 38 Cb 0.07 -1.01 0.71 0.00 -2.10 0.00 0.00 70.33 68.00 1xz4 n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1xz4 h GLN 39 N 0.00 0.00 -0.34 -0.78 4.20 -1.42 -3.11 115.11 113.66 1xz4 h GLN 39 Ca 0.00 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.79 1xz4 h GLN 39 Cb 0.25 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 1xz4 h GLN 39 CO 0.00 0.00 0.24 0.07 -0.67 0.00 0.00 178.83 178.47 1xz4 h ARG 40 N 0.00 0.08 -0.00 1.46 0.11 -1.75 0.47 114.38 114.75 1xz4 h ARG 40 Ca 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1xz4 h ARG 40 Cb 0.30 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.36 1xz4 h ARG 40 CO 0.00 0.05 -0.13 1.19 0.10 0.00 0.00 179.97 181.18 1xz4 n PHE 41 N -4.45 0.00 -1.71 4.08 3.01 -1.18 -4.10 117.46 113.11 1xz4 n PHE 41 Ca 0.05 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.54 1xz4 n PHE 41 Cb 0.36 -0.27 0.18 0.00 -0.01 0.00 0.00 39.48 39.75 1xz4 n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1xz4 n PHE 42 N -1.17 0.25 -0.05 1.38 3.01 0.15 -4.77 117.46 116.26 1xz4 n PHE 42 Ca 0.12 -1.50 0.04 0.00 1.01 0.00 0.00 57.45 57.11 1xz4 n PHE 42 Cb 0.29 -0.25 0.39 0.00 -0.01 0.00 0.00 39.48 39.90 1xz4 n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1xz4 h GLU 43 N 1.12 0.64 0.00 -1.08 5.08 -1.71 -1.47 114.58 117.15 1xz4 h GLU 43 Ca 0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1xz4 h GLU 43 Cb 1.11 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1xz4 h GLU 43 CO 0.08 0.42 0.00 -1.13 -1.00 0.00 0.00 179.01 177.38 1xz4 n SER 44 N -4.46 0.00 -0.10 1.42 3.41 -1.26 -2.63 113.62 110.00 1xz4 n SER 44 Ca 0.05 0.12 0.12 0.00 -0.26 0.00 0.00 58.87 58.90 1xz4 n SER 44 Cb 0.07 -0.27 0.27 0.00 -0.26 0.00 0.00 64.21 64.02 1xz4 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1xz4 n PHE 45 N -1.27 0.00 -0.42 7.33 0.99 -0.55 -5.05 117.46 118.48 1xz4 n PHE 45 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.50 1xz4 n PHE 45 Cb 0.08 -0.19 0.00 0.00 -1.00 0.00 0.00 39.48 38.37 1xz4 n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1xz4 n GLY 46 N 1.44 -0.69 3.67 1.37 0.00 -1.08 -4.78 105.19 105.12 1xz4 n GLY 46 Ca 0.08 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 1xz4 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xz4 s ASP 47 N -4.00 6.69 -0.16 1.61 3.68 -1.26 -4.88 116.67 118.34 1xz4 s ASP 47 Ca 0.00 2.28 0.21 0.00 2.13 0.00 0.00 52.55 57.16 1xz4 s ASP 47 Cb 0.00 -2.55 0.46 0.00 -1.45 0.00 0.00 42.92 39.39 1xz4 s ASP 47 CO 0.00 -0.88 1.16 0.18 0.13 0.00 0.00 175.17 175.76 1xz4 n LEU 48 N 6.40 1.94 0.10 -1.34 4.77 -1.26 -4.37 117.00 123.23 1xz4 n LEU 48 Ca 0.16 -2.98 -0.01 0.00 -0.03 0.00 0.00 56.01 53.15 1xz4 n LEU 48 Cb 0.42 0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.55 1xz4 n LEU 48 CO 0.62 1.02 0.29 0.77 -1.33 0.00 0.00 177.39 178.76 1xz4 h SER 49 N 1.76 0.00 -3.92 -1.43 4.64 -1.93 -3.45 113.55 109.22 1xz4 h SER 49 Ca -0.09 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.87 1xz4 h SER 49 Cb 1.50 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.44 1xz4 h SER 49 CO 0.20 0.69 -0.73 0.42 -0.87 0.00 0.00 176.83 176.54 1xz4 s THR 50 N -2.86 1.25 0.28 2.95 -4.23 -1.26 -5.03 115.64 106.74 1xz4 s THR 50 Ca 0.02 -1.97 0.02 0.00 -1.18 0.00 0.00 61.69 58.59 1xz4 s THR 50 Cb 0.08 -1.76 0.27 0.00 1.34 0.00 0.00 72.50 72.44 1xz4 s THR 50 CO 0.78 -0.64 1.75 -0.65 -0.54 0.00 0.00 174.62 175.32 1xz4 h PRO 51 N 2.99 0.59 -0.34 3.99 0.11 -1.98 -0.89 132.00 136.47 1xz4 h PRO 51 Ca -0.37 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.58 1xz4 h PRO 51 Cb 1.20 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1xz4 h PRO 51 CO 0.59 0.39 -0.27 -0.44 -0.21 0.00 0.00 178.00 178.07 1xz4 h ASP 52 N 0.61 0.72 -0.54 -2.05 3.32 -1.98 -0.65 116.42 115.85 1xz4 h ASP 52 Ca 0.52 -0.27 -0.10 0.00 0.02 0.00 0.00 57.03 57.20 1xz4 h ASP 52 Cb 0.82 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 1xz4 h ASP 52 CO -0.41 0.95 -0.03 0.00 -1.72 0.00 0.00 179.24 178.03 1xz4 h ALA 53 N 1.10 0.87 0.19 3.45 0.00 -1.54 -1.32 119.26 122.00 1xz4 h ALA 53 Ca 0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1xz4 h ALA 53 Cb 0.77 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1xz4 h ALA 53 CO 0.06 0.65 -0.09 0.28 0.00 0.00 0.00 179.25 180.16 1xz4 h VAL 54 N 0.91 0.91 0.00 0.00 2.07 -1.02 -1.75 116.25 117.38 1xz4 h VAL 54 Ca 0.16 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 1xz4 h VAL 54 Cb 0.57 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1xz4 h VAL 54 CO 0.03 0.17 -0.15 0.24 0.02 0.00 0.00 177.57 177.89 1xz4 h MET 55 N -0.65 0.00 0.00 1.57 2.07 -1.13 -2.48 114.93 114.31 1xz4 h MET 55 Ca -0.03 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 1xz4 h MET 55 Cb 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.20 1xz4 h MET 55 CO 0.04 0.15 -0.61 0.78 1.07 0.00 0.00 176.91 178.34 1xz4 h GLY 56 N 1.27 0.00 -5.74 8.32 0.00 -1.18 -3.48 103.07 102.26 1xz4 h GLY 56 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 1xz4 h GLY 56 CO 0.02 0.00 1.26 0.21 0.00 0.00 0.00 176.54 178.03 1xz4 s ASN 57 N -4.65 6.27 0.52 0.19 3.84 -0.66 -4.89 114.94 115.55 1xz4 s ASN 57 Ca 0.05 2.36 0.25 0.00 0.21 0.00 0.00 52.86 55.73 1xz4 s ASN 57 Cb 0.12 -2.53 1.42 0.00 -0.55 0.00 0.00 41.25 39.71 1xz4 s ASN 57 CO 0.72 -1.24 2.09 1.55 -2.79 0.00 0.00 177.10 177.43 1xz4 h PRO 58 N 11.39 0.00 0.00 0.43 0.13 -1.91 -2.23 132.00 139.81 1xz4 h PRO 58 Ca -0.45 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.52 1xz4 h PRO 58 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1xz4 h PRO 58 CO 0.95 0.11 -0.77 0.87 -0.23 0.00 0.00 178.00 178.93 1xz4 h LYS 59 N 0.00 0.00 -0.28 0.86 1.57 -1.90 -0.36 116.57 116.46 1xz4 h LYS 59 Ca -0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1xz4 h LYS 59 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1xz4 h LYS 59 CO 0.01 0.77 -0.09 0.28 -0.57 0.00 0.00 179.45 179.85 1xz4 h VAL 60 N 0.00 1.29 -0.45 0.50 2.07 -1.76 0.04 116.25 117.93 1xz4 h VAL 60 Ca -0.01 -1.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.33 1xz4 h VAL 60 Cb 1.39 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1xz4 h VAL 60 CO 0.10 0.36 0.13 0.11 0.02 0.00 0.00 177.57 178.29 1xz4 h LYS 61 N 0.31 0.71 -0.60 1.57 1.57 -1.22 -0.12 116.57 118.79 1xz4 h LYS 61 Ca 0.07 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1xz4 h LYS 61 Cb 0.58 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1xz4 h LYS 61 CO 0.03 0.70 0.12 0.00 -0.57 0.00 0.00 179.45 179.73 1xz4 h ALA 62 N 0.98 0.79 -0.49 3.86 0.00 -1.03 -2.74 119.26 120.64 1xz4 h ALA 62 Ca 0.14 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1xz4 h ALA 62 Cb 0.29 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1xz4 h ALA 62 CO -0.00 0.52 -0.03 1.25 0.00 0.00 0.00 179.25 180.99 1xz4 h HIS 63 N 0.88 0.89 -0.26 0.00 -0.00 -0.63 -2.69 115.15 113.35 1xz4 h HIS 63 Ca 0.19 -0.14 -0.02 0.00 -0.00 0.00 0.00 60.37 60.39 1xz4 h HIS 63 Cb 0.39 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.54 1xz4 h HIS 63 CO 0.03 0.83 0.06 0.78 -0.00 0.00 0.00 177.93 179.63 1xz4 h GLY 64 N 0.98 0.41 1.06 5.26 0.00 -0.77 -1.90 103.07 108.11 1xz4 h GLY 64 Ca 0.14 -0.20 -0.11 0.00 0.00 0.00 0.00 47.33 47.17 1xz4 h GLY 64 CO 0.03 0.19 -0.11 1.70 0.00 0.00 0.00 176.54 178.34 1xz4 h LYS 65 N 0.38 0.96 -0.22 4.80 3.64 -1.20 -1.92 116.57 123.01 1xz4 h LYS 65 Ca 0.09 -0.36 -0.02 0.00 -1.27 0.00 0.00 60.65 59.09 1xz4 h LYS 65 Cb 0.16 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1xz4 h LYS 65 CO -0.00 1.03 0.07 -0.22 -2.27 0.00 0.00 179.45 178.06 1xz4 h LYS 66 N 0.82 0.33 -0.03 1.90 3.64 -1.34 0.06 116.57 121.96 1xz4 h LYS 66 Ca 0.13 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1xz4 h LYS 66 Cb 0.67 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1xz4 h LYS 66 CO 0.05 0.41 0.01 0.28 -2.27 0.00 0.00 179.45 177.93 1xz4 h VAL 67 N 0.18 1.16 0.00 2.00 2.07 -1.33 -1.65 116.25 118.69 1xz4 h VAL 67 Ca 0.07 -0.48 -0.12 0.00 0.82 0.00 0.00 66.70 66.99 1xz4 h VAL 67 Cb 0.21 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1xz4 h VAL 67 CO -0.00 0.13 -0.55 0.25 0.02 0.00 0.00 177.57 177.41 1xz4 h LEU 68 N -0.15 0.00 -0.80 2.57 5.85 -1.39 -0.27 115.31 121.11 1xz4 h LEU 68 Ca 0.01 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 1xz4 h LEU 68 Cb 0.20 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1xz4 h LEU 68 CO -0.00 0.55 0.16 1.23 -0.34 0.00 0.00 178.44 180.04 1xz4 h GLY 69 N 1.98 1.13 1.59 3.75 0.00 -0.83 0.31 103.07 111.01 1xz4 h GLY 69 Ca -0.01 -0.70 -0.11 0.00 0.00 0.00 0.00 47.33 46.52 1xz4 h GLY 69 CO 0.07 0.65 -0.33 0.00 0.00 0.00 0.00 176.54 176.94 1xz4 h ALA 70 N 1.16 1.02 -0.27 3.60 0.00 -0.92 -2.04 119.26 121.80 1xz4 h ALA 70 Ca 0.21 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1xz4 h ALA 70 Cb 0.36 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1xz4 h ALA 70 CO 0.00 0.59 0.03 0.35 0.00 0.00 0.00 179.25 180.22 1xz4 h PHE 71 N 0.40 0.50 -0.95 0.00 3.57 -0.54 -2.89 116.94 117.04 1xz4 h PHE 71 Ca 0.05 -0.08 0.06 0.00 3.53 0.00 0.00 57.97 61.53 1xz4 h PHE 71 Cb 0.77 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.32 1xz4 h PHE 71 CO 0.03 0.59 0.62 1.03 -2.23 0.00 0.00 178.31 178.34 1xz4 h SER 72 N 0.26 0.99 -0.50 0.41 0.87 -0.21 -1.28 113.55 114.08 1xz4 h SER 72 Ca 0.08 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.60 1xz4 h SER 72 Cb 0.37 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 1xz4 h SER 72 CO 0.01 0.65 0.17 0.44 -0.53 0.00 0.00 176.83 177.56 1xz4 h ASP 73 N 1.13 0.77 0.41 6.23 3.32 -1.28 -2.09 116.42 124.91 1xz4 h ASP 73 Ca 0.40 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 1xz4 h ASP 73 Cb 0.13 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 1xz4 h ASP 73 CO -0.14 0.73 -0.09 1.23 -1.72 0.00 0.00 179.24 179.25 1xz4 h GLY 74 N 0.96 0.00 2.00 2.75 0.00 -1.03 -1.46 103.07 106.29 1xz4 h GLY 74 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1xz4 h GLY 74 CO -0.01 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.57 1xz4 n LEU 75 N -3.49 0.48 -0.08 3.11 4.77 -0.79 -2.32 117.00 118.69 1xz4 n LEU 75 Ca -0.02 0.61 0.13 0.00 -0.03 0.00 0.00 56.01 56.71 1xz4 n LEU 75 Cb 0.23 -0.54 0.48 0.00 -2.33 0.00 0.00 43.42 41.25 1xz4 n LEU 75 CO 0.28 -0.45 0.74 0.00 -1.33 0.00 0.00 177.39 176.63 1xz4 n ALA 76 N -1.70 2.94 -2.77 -1.18 0.00 -0.55 -4.10 120.51 113.15 1xz4 n ALA 76 Ca 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 53.44 53.18 1xz4 n ALA 76 Cb 0.22 -1.27 0.05 0.00 0.00 0.00 0.00 19.45 18.45 1xz4 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xz4 n HIS 77 N -1.15 1.28 -0.28 0.00 8.25 -0.98 -4.89 115.22 117.45 1xz4 n HIS 77 Ca 0.10 -2.06 0.26 0.00 -0.26 0.00 0.00 57.72 55.76 1xz4 n HIS 77 Cb 0.31 -0.23 0.61 0.00 1.12 0.00 0.00 29.99 31.80 1xz4 n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1xz4 h LEU 78 N 2.50 0.24 0.00 2.41 3.38 -1.70 0.63 115.31 122.77 1xz4 h LEU 78 Ca -0.12 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1xz4 h LEU 78 Cb 1.32 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1xz4 h LEU 78 CO 0.21 0.06 0.00 0.47 0.09 0.00 0.00 178.44 179.27 1xz4 n ASP 79 N -4.43 0.00 -2.97 -0.43 10.43 -1.26 -2.46 116.55 115.43 1xz4 n ASP 79 Ca 0.23 0.24 -0.14 0.00 2.57 0.00 0.00 54.79 57.69 1xz4 n ASP 79 Cb 0.95 -0.39 0.02 0.00 1.84 0.00 0.00 41.12 43.54 1xz4 n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1xz4 n ASN 80 N -1.39 -0.13 -0.17 -2.24 5.15 0.22 -4.67 115.26 112.03 1xz4 n ASN 80 Ca 0.07 -3.13 -0.08 0.00 -0.60 0.00 0.00 54.58 50.85 1xz4 n ASN 80 Cb 0.20 0.19 0.01 0.00 -0.53 0.00 0.00 39.78 39.65 1xz4 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1xz4 h LEU 81 N 2.94 0.62 -0.60 1.20 3.38 -1.65 -2.70 115.31 118.50 1xz4 h LEU 81 Ca -0.00 -0.10 0.12 0.00 0.09 0.00 0.00 57.88 57.98 1xz4 h LEU 81 Cb 1.05 -0.16 -0.11 0.00 0.09 0.00 0.00 40.66 41.53 1xz4 h LEU 81 CO 0.36 0.55 -0.16 0.11 0.09 0.00 0.00 178.44 179.39 1xz4 h LYS 82 N 0.65 -0.01 -0.41 1.13 1.57 -1.91 -1.23 116.57 116.35 1xz4 h LYS 82 Ca 0.17 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1xz4 h LYS 82 Cb 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1xz4 h LYS 82 CO -0.03 -0.01 0.17 0.78 -0.57 0.00 0.00 179.45 179.79 1xz4 h GLY 83 N -0.01 0.66 2.00 3.86 0.00 -1.92 -2.47 103.07 105.18 1xz4 h GLY 83 Ca 0.29 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 1xz4 h GLY 83 CO -0.62 0.33 -0.21 -0.84 0.00 0.00 0.00 176.54 175.21 1xz4 h THR 84 N 0.52 1.04 -0.37 4.70 2.02 -0.95 -3.17 112.91 116.70 1xz4 h THR 84 Ca 0.14 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1xz4 h THR 84 Cb 0.18 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1xz4 h THR 84 CO -0.01 0.20 0.00 0.49 0.37 0.00 0.00 175.52 176.57 1xz4 n PHE 85 N -4.14 0.50 -0.06 3.16 3.01 -0.59 -4.73 117.46 114.61 1xz4 n PHE 85 Ca -0.02 -0.50 -0.10 0.00 1.01 0.00 0.00 57.45 57.84 1xz4 n PHE 85 Cb 0.27 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 39.68 1xz4 n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xz4 h ALA 86 N 2.16 0.28 -0.21 4.37 0.00 -1.42 0.31 119.26 124.76 1xz4 h ALA 86 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1xz4 h ALA 86 Cb 0.75 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1xz4 h ALA 86 CO 0.00 -0.21 -0.01 1.15 0.00 0.00 0.00 179.25 180.18 1xz4 h THR 87 N 0.27 1.26 -0.99 0.00 2.02 -1.84 -2.54 112.91 111.09 1xz4 h THR 87 Ca 0.08 -0.93 0.09 0.00 0.77 0.00 0.00 66.41 66.42 1xz4 h THR 87 Cb 0.02 1.46 -0.07 0.00 -1.74 0.00 0.00 68.15 67.82 1xz4 h THR 87 CO -0.01 0.28 0.64 -0.07 0.37 0.00 0.00 175.52 176.72 1xz4 h LEU 88 N 0.13 0.98 0.20 2.58 3.38 -1.79 -0.90 115.31 119.88 1xz4 h LEU 88 Ca 0.06 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1xz4 h LEU 88 Cb 0.43 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1xz4 h LEU 88 CO 0.01 0.59 -0.10 -1.28 0.09 0.00 0.00 178.44 177.75 1xz4 h SER 89 N 1.09 -0.25 -0.58 -0.43 0.87 -0.05 -0.59 113.55 113.62 1xz4 h SER 89 Ca 0.45 0.01 0.07 0.00 -1.23 0.00 0.00 61.79 61.10 1xz4 h SER 89 Cb 0.30 0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.26 1xz4 h SER 89 CO -0.20 -0.17 0.24 -0.33 -0.53 0.00 0.00 176.83 175.84 1xz4 h GLU 90 N -0.28 0.44 -0.59 2.24 5.08 -1.19 -1.68 114.58 118.60 1xz4 h GLU 90 Ca -0.02 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1xz4 h GLU 90 Cb 0.22 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 1xz4 h GLU 90 CO 0.04 0.29 0.30 1.25 -1.00 0.00 0.00 179.01 179.89 1xz4 h LEU 91 N 0.45 0.42 -1.01 1.33 5.85 -0.90 0.65 115.31 122.11 1xz4 h LEU 91 Ca 0.28 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.94 1xz4 h LEU 91 Cb 0.28 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1xz4 h LEU 91 CO -0.25 0.28 -0.47 0.45 -0.34 0.00 0.00 178.44 178.11 1xz4 h HIS 92 N 0.56 0.00 0.02 1.25 3.86 -0.44 -1.60 115.15 118.80 1xz4 h HIS 92 Ca 0.27 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.48 1xz4 h HIS 92 Cb 0.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.67 1xz4 h HIS 92 CO -0.10 0.47 -0.01 0.00 0.86 0.00 0.00 177.93 179.15 1xz4 h ASP 94 N -0.75 0.57 0.00 0.00 3.32 -0.98 -3.02 116.42 115.56 1xz4 h ASP 94 Ca -0.00 -0.42 -0.42 0.00 0.02 0.00 0.00 57.03 56.21 1xz4 h ASP 94 Cb 0.02 -0.17 -0.07 0.00 0.22 0.00 0.00 39.33 39.33 1xz4 h ASP 94 CO 0.00 1.20 -2.48 0.29 -1.72 0.00 0.00 179.24 176.54 1xz4 n LYS 95 N -3.79 0.63 0.04 3.56 4.76 -0.77 -4.66 118.16 117.93 1xz4 n LYS 95 Ca -0.06 0.20 0.11 0.00 -2.87 0.00 0.00 58.31 55.69 1xz4 n LYS 95 Cb 0.79 -1.52 -0.06 0.00 -1.84 0.00 0.00 35.03 32.41 1xz4 n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1xz4 n LEU 96 N -3.63 0.49 -3.62 -0.35 4.77 -0.67 -4.99 117.00 109.01 1xz4 n LEU 96 Ca -0.49 0.10 -0.22 0.00 -0.03 0.00 0.00 56.01 55.37 1xz4 n LEU 96 Cb 0.95 -0.05 0.07 0.00 -2.33 0.00 0.00 43.42 42.06 1xz4 n LEU 96 CO 0.18 -0.05 0.13 1.41 -1.33 0.00 0.00 177.39 177.73 1xz4 n HIS 97 N -2.32 -2.42 -3.37 -1.77 8.25 -0.41 -4.96 115.22 108.23 1xz4 n HIS 97 Ca -0.01 0.95 -0.39 0.00 -0.26 0.00 0.00 57.72 58.01 1xz4 n HIS 97 Cb 0.52 -4.78 -0.09 0.00 1.12 0.00 0.00 29.99 26.77 1xz4 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1xz4 s VAL 98 N -3.39 5.16 -0.00 1.59 1.01 -0.63 -5.03 120.40 119.12 1xz4 s VAL 98 Ca 0.32 0.57 -0.32 0.00 0.00 0.00 0.00 61.98 62.56 1xz4 s VAL 98 Cb -0.15 -3.72 -0.10 0.00 0.00 0.00 0.00 36.38 32.41 1xz4 s VAL 98 CO 0.76 0.13 1.93 -0.67 0.00 0.00 0.00 175.10 177.25 1xz4 n ASP 99 N 5.36 3.88 0.32 3.32 4.64 -1.26 -4.78 116.55 128.03 1xz4 n ASP 99 Ca -0.08 0.94 0.15 0.00 -1.38 0.00 0.00 54.79 54.42 1xz4 n ASP 99 Cb 0.51 -1.47 0.79 0.00 -1.04 0.00 0.00 41.12 39.90 1xz4 n ASP 99 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1xz4 h PRO 100 N 9.90 0.00 -0.38 -0.67 0.11 -1.96 0.62 132.00 139.61 1xz4 h PRO 100 Ca -0.49 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.71 1xz4 h PRO 100 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1xz4 h PRO 100 CO 0.94 0.00 0.27 1.49 -0.21 0.00 0.00 178.00 180.49 1xz4 h GLU 101 N 0.00 0.10 -0.36 1.05 4.57 -1.99 -1.69 114.58 116.26 1xz4 h GLU 101 Ca 0.01 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1xz4 h GLU 101 Cb 0.74 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.29 1xz4 h GLU 101 CO -0.00 0.07 0.12 -0.91 -1.18 0.00 0.00 179.01 177.11 1xz4 h ASN 102 N 0.10 0.46 -0.39 1.04 2.35 -1.24 -2.02 115.58 115.89 1xz4 h ASN 102 Ca 0.18 -0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 1xz4 h ASN 102 Cb 0.57 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 1xz4 h ASN 102 CO -0.02 0.44 0.10 -0.26 -1.65 0.00 0.00 177.43 176.04 1xz4 h PHE 103 N 0.51 0.73 -0.29 1.19 0.04 -1.49 -0.80 116.94 116.84 1xz4 h PHE 103 Ca 0.12 -0.06 -0.07 0.00 2.80 0.00 0.00 57.97 60.76 1xz4 h PHE 103 Cb 0.14 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 1xz4 h PHE 103 CO 0.01 0.63 -0.09 0.00 -0.60 0.00 0.00 178.31 178.26 1xz4 h ARG 104 N 0.69 0.57 -0.65 1.51 3.08 -1.41 -1.90 114.38 116.26 1xz4 h ARG 104 Ca 0.15 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1xz4 h ARG 104 Cb 0.28 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 1xz4 h ARG 104 CO 0.00 0.78 0.39 -0.07 -1.07 0.00 0.00 179.97 180.00 1xz4 h LEU 105 N 0.32 0.78 -1.12 3.04 3.38 -1.19 -2.24 115.31 118.29 1xz4 h LEU 105 Ca 0.07 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1xz4 h LEU 105 Cb 0.58 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1xz4 h LEU 105 CO 0.03 0.62 0.04 0.25 0.09 0.00 0.00 178.44 179.47 1xz4 h LEU 106 N 0.88 0.62 -0.32 1.67 5.85 -1.07 -1.84 115.31 121.10 1xz4 h LEU 106 Ca 0.23 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.85 1xz4 h LEU 106 Cb -0.02 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1xz4 h LEU 106 CO -0.04 0.66 0.17 1.23 -0.34 0.00 0.00 178.44 180.13 1xz4 h GLY 107 N 0.90 0.44 1.22 3.75 0.00 -0.89 0.64 103.07 109.12 1xz4 h GLY 107 Ca 0.13 -0.13 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1xz4 h GLY 107 CO 0.01 0.11 0.01 3.43 0.00 0.00 0.00 176.54 180.10 1xz4 h ASN 108 N 0.36 0.92 -0.47 0.19 2.35 -1.06 -2.10 115.58 115.77 1xz4 h ASN 108 Ca 0.13 -0.24 -0.06 0.00 -0.55 0.00 0.00 56.30 55.58 1xz4 h ASN 108 Cb 0.02 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 1xz4 h ASN 108 CO -0.07 0.97 0.08 0.58 -1.65 0.00 0.00 177.43 177.34 1xz4 h VAL 109 N 0.87 1.25 -0.64 2.81 2.07 -1.16 -1.52 116.25 119.92 1xz4 h VAL 109 Ca 0.16 -0.91 0.04 0.00 0.82 0.00 0.00 66.70 66.81 1xz4 h VAL 109 Cb 0.50 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 1xz4 h VAL 109 CO 0.02 0.32 0.38 0.25 0.02 0.00 0.00 177.57 178.57 1xz4 h LEU 110 N 0.65 0.61 -0.65 2.57 5.85 -0.74 -0.39 115.31 123.20 1xz4 h LEU 110 Ca 0.14 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1xz4 h LEU 110 Cb 0.39 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1xz4 h LEU 110 CO 0.01 0.42 0.41 0.58 -0.34 0.00 0.00 178.44 179.52 1xz4 h VAL 111 N 0.74 1.18 -0.57 1.05 2.07 -1.12 -0.12 116.25 119.48 1xz4 h VAL 111 Ca 0.27 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1xz4 h VAL 111 Cb 0.07 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 1xz4 h VAL 111 CO -0.13 0.18 0.30 0.00 0.02 0.00 0.00 177.57 177.94 1xz4 h VAL 113 N 0.80 1.28 -0.91 0.00 2.07 -0.37 -1.46 116.25 117.67 1xz4 h VAL 113 Ca 0.20 -1.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.05 1xz4 h VAL 113 Cb 0.05 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1xz4 h VAL 113 CO -0.03 0.54 0.56 -0.07 0.02 0.00 0.00 177.57 178.60 1xz4 h LEU 114 N 0.62 1.08 -0.52 2.57 3.38 -0.79 -1.28 115.31 120.36 1xz4 h LEU 114 Ca 0.02 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1xz4 h LEU 114 Cb 1.09 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1xz4 h LEU 114 CO 0.11 0.81 0.13 0.00 0.09 0.00 0.00 178.44 179.59 1xz4 h ALA 115 N 1.31 0.68 -0.76 1.53 0.00 -1.00 -0.55 119.26 120.47 1xz4 h ALA 115 Ca 0.33 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1xz4 h ALA 115 Cb -0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 1xz4 h ALA 115 CO -0.06 0.37 0.50 1.25 0.00 0.00 0.00 179.25 181.30 1xz4 h HIS 116 N 0.71 0.94 -0.19 0.00 -0.00 -1.12 0.81 115.15 116.30 1xz4 h HIS 116 Ca 0.16 0.02 -0.19 0.00 -0.00 0.00 0.00 60.37 60.37 1xz4 h HIS 116 Cb 0.32 -0.32 0.01 0.00 -0.00 0.00 0.00 27.41 27.42 1xz4 h HIS 116 CO 0.02 0.58 -0.61 1.25 -0.00 0.00 0.00 177.93 179.17 1xz4 h HIS 117 N 1.01 0.99 0.00 5.26 6.17 -0.92 -3.35 115.15 124.30 1xz4 h HIS 117 Ca 0.29 -0.40 0.00 0.00 0.71 0.00 0.00 60.37 60.97 1xz4 h HIS 117 Cb -0.08 -0.17 0.00 0.00 2.52 0.00 0.00 27.41 29.68 1xz4 h HIS 117 CO -0.02 1.21 -1.02 1.19 0.71 0.00 0.00 177.93 180.00 1xz4 n PHE 118 N -4.05 0.00 -2.66 5.26 3.01 -0.24 -5.05 117.46 113.72 1xz4 n PHE 118 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.40 1xz4 n PHE 118 Cb 0.66 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 40.04 1xz4 n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xz4 n GLY 119 N 1.42 3.07 0.33 1.37 0.00 0.27 -2.58 105.19 109.09 1xz4 n GLY 119 Ca 0.02 -0.28 0.19 0.00 0.00 0.00 0.00 46.02 45.95 1xz4 n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1xz4 h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.97 -0.54 116.57 117.78 1xz4 h LYS 120 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1xz4 h LYS 120 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1xz4 h LYS 120 CO 0.00 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 178.38 1xz4 h GLU 121 N 0.00 0.00 -3.76 0.07 5.08 -1.89 -3.32 114.58 110.75 1xz4 h GLU 121 Ca 0.02 0.00 -0.76 0.00 -1.00 0.00 0.00 59.36 57.62 1xz4 h GLU 121 Cb 0.25 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.32 1xz4 h GLU 121 CO -0.00 0.00 1.71 0.34 -1.00 0.00 0.00 179.01 180.05 1xz4 n PHE 122 N -2.76 3.45 -1.47 4.33 7.35 -0.21 -4.95 117.46 123.20 1xz4 n PHE 122 Ca 0.01 -2.94 -0.30 0.00 -0.76 0.00 0.00 57.45 53.46 1xz4 n PHE 122 Cb 0.25 -1.94 0.11 0.00 0.35 0.00 0.00 39.48 38.25 1xz4 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1xz4 s THR 123 N 0.33 2.83 0.19 -2.13 -4.23 -1.25 -4.70 115.64 106.68 1xz4 s THR 123 Ca 0.39 0.27 -0.15 0.00 -1.18 0.00 0.00 61.69 61.02 1xz4 s THR 123 Cb 0.06 -2.95 0.16 0.00 1.34 0.00 0.00 72.50 71.11 1xz4 s THR 123 CO 0.01 -0.35 1.65 -0.65 -0.54 0.00 0.00 174.62 174.74 1xz4 h PRO 124 N -1.26 0.01 -0.46 3.99 0.11 -1.93 0.09 132.00 132.55 1xz4 h PRO 124 Ca -0.48 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1xz4 h PRO 124 Cb 1.28 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 1xz4 h PRO 124 CO 0.58 0.00 0.16 -1.35 -0.21 0.00 0.00 178.00 177.19 1xz4 h PRO 125 N 0.01 0.67 -0.32 1.05 0.11 -1.99 -0.74 132.00 130.78 1xz4 h PRO 125 Ca 0.25 -0.10 -0.07 0.00 0.11 0.00 0.00 66.00 66.19 1xz4 h PRO 125 Cb 0.38 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 1xz4 h PRO 125 CO -0.53 0.57 -0.07 0.28 -0.21 0.00 0.00 178.00 178.05 1xz4 h VAL 126 N 0.66 1.28 -0.90 3.15 2.07 -1.71 -1.85 116.25 118.94 1xz4 h VAL 126 Ca 0.16 -1.10 0.04 0.00 0.82 0.00 0.00 66.70 66.62 1xz4 h VAL 126 Cb 0.17 1.34 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 1xz4 h VAL 126 CO -0.01 0.36 0.58 -0.61 0.02 0.00 0.00 177.57 177.90 1xz4 h GLN 127 N 0.39 1.07 -0.80 1.57 4.15 -0.70 -0.71 115.11 120.07 1xz4 h GLN 127 Ca 0.08 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.39 1xz4 h GLN 127 Cb 0.55 -0.24 -0.04 0.00 0.21 0.00 0.00 27.48 27.97 1xz4 h GLN 127 CO 0.03 0.71 0.33 0.00 -1.93 0.00 0.00 178.83 177.96 1xz4 h ALA 128 N 1.38 1.06 -0.32 3.38 0.00 -0.76 0.16 119.26 124.16 1xz4 h ALA 128 Ca 0.37 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1xz4 h ALA 128 Cb 0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1xz4 h ALA 128 CO -0.13 0.67 -0.02 0.00 0.00 0.00 0.00 179.25 179.76 1xz4 h ALA 129 N 1.19 0.43 0.00 0.00 0.00 -0.63 -2.37 119.26 117.88 1xz4 h ALA 129 Ca 0.27 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1xz4 h ALA 129 Cb 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1xz4 h ALA 129 CO -0.02 0.21 -0.19 1.88 0.00 0.00 0.00 179.25 181.13 1xz4 h TYR 130 N 0.37 0.00 -0.23 0.00 0.05 -0.57 -2.02 116.97 114.57 1xz4 h TYR 130 Ca 0.09 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.77 1xz4 h TYR 130 Cb 0.48 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.21 1xz4 h TYR 130 CO 0.04 0.19 -0.28 1.96 -1.05 0.00 0.00 178.16 179.02 1xz4 h GLN 131 N 0.00 0.46 -0.29 4.88 1.08 -0.27 -0.79 115.11 120.18 1xz4 h GLN 131 Ca -0.00 -0.18 -0.08 0.00 -1.45 0.00 0.00 58.65 56.94 1xz4 h GLN 131 Cb 0.36 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 1xz4 h GLN 131 CO 0.02 0.70 -0.13 0.87 -0.95 0.00 0.00 178.83 179.35 1xz4 h LYS 132 N 0.40 0.60 -0.02 1.46 1.57 -0.91 -2.30 116.57 117.38 1xz4 h LYS 132 Ca 0.06 -0.26 0.02 0.00 -1.87 0.00 0.00 60.65 58.60 1xz4 h LYS 132 Cb 0.70 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 1xz4 h LYS 132 CO 0.05 0.83 -0.12 0.28 -0.57 0.00 0.00 179.45 179.92 1xz4 h VAL 133 N 0.35 0.69 -0.45 0.50 2.07 -1.11 -1.60 116.25 116.70 1xz4 h VAL 133 Ca 0.07 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.52 1xz4 h VAL 133 Cb 0.64 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1xz4 h VAL 133 CO 0.04 0.00 -0.00 -0.37 0.02 0.00 0.00 177.57 177.26 1xz4 h VAL 134 N -0.20 1.24 -0.39 2.57 -1.51 -1.12 -0.36 116.25 116.49 1xz4 h VAL 134 Ca 0.05 -0.97 -0.07 0.00 -1.23 0.00 0.00 66.70 64.48 1xz4 h VAL 134 Cb 0.27 0.90 -0.02 0.00 -2.13 0.00 0.00 31.29 30.31 1xz4 h VAL 134 CO -0.14 0.34 -0.04 0.00 -1.23 0.00 0.00 177.57 176.50 1xz4 h ALA 135 N 1.30 1.20 -0.51 5.19 0.00 -1.30 -1.39 119.26 123.76 1xz4 h ALA 135 Ca 0.14 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1xz4 h ALA 135 Cb 0.43 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1xz4 h ALA 135 CO 0.02 0.52 -0.15 0.78 0.00 0.00 0.00 179.25 180.42 1xz4 h GLY 136 N 0.93 1.08 0.93 0.00 0.00 -0.30 -1.16 103.07 104.56 1xz4 h GLY 136 Ca 0.12 -0.91 -0.08 0.00 0.00 0.00 0.00 47.33 46.46 1xz4 h GLY 136 CO 0.02 0.83 -0.10 -2.08 0.00 0.00 0.00 176.54 175.21 1xz4 h VAL 137 N 0.86 1.28 -0.52 4.60 2.07 -0.96 -1.07 116.25 122.51 1xz4 h VAL 137 Ca 0.12 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.47 1xz4 h VAL 137 Cb 0.72 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 1xz4 h VAL 137 CO 0.06 0.38 0.33 0.00 0.02 0.00 0.00 177.57 178.36 1xz4 h ALA 138 N 0.80 0.67 -0.77 1.67 0.00 -1.11 -1.04 119.26 119.48 1xz4 h ALA 138 Ca 0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1xz4 h ALA 138 Cb 0.61 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1xz4 h ALA 138 CO 0.04 0.13 0.34 -0.91 0.00 0.00 0.00 179.25 178.86 1xz4 h ASN 139 N 0.71 1.03 -0.53 0.00 2.35 -1.13 -2.05 115.58 115.95 1xz4 h ASN 139 Ca 0.19 -0.13 -0.10 0.00 -0.55 0.00 0.00 56.30 55.71 1xz4 h ASN 139 Cb -0.04 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.05 1xz4 h ASN 139 CO -0.04 0.89 -0.05 0.00 -1.65 0.00 0.00 177.43 176.58 1xz4 h ALA 140 N 1.27 0.72 0.00 -0.83 0.00 -0.89 -2.06 119.26 117.47 1xz4 h ALA 140 Ca 0.26 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1xz4 h ALA 140 Cb 0.15 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1xz4 h ALA 140 CO -0.03 0.58 -0.09 -0.07 0.00 0.00 0.00 179.25 179.64 1xz4 h LEU 141 N 0.84 0.00 0.00 0.00 3.38 -0.99 -2.76 115.31 115.78 1xz4 h LEU 141 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1xz4 h LEU 141 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1xz4 h LEU 141 CO 0.04 0.09 -0.84 0.00 0.09 0.00 0.00 178.44 177.83 1xz4 n ALA 142 N -2.22 2.97 0.12 1.53 0.00 -0.79 -4.36 120.51 117.77 1xz4 n ALA 142 Ca -0.01 -0.29 0.12 0.00 0.00 0.00 0.00 53.44 53.25 1xz4 n ALA 142 Cb 0.24 -1.10 0.62 0.00 0.00 0.00 0.00 19.45 19.22 1xz4 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1xz4 h HIS 143 N 0.00 0.09 -0.38 0.00 6.17 -1.07 -2.24 115.15 117.72 1xz4 h HIS 143 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1xz4 h HIS 143 Cb 0.80 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.69 1xz4 h HIS 143 CO 0.00 0.05 0.00 1.63 0.71 0.00 0.00 177.93 180.32 1xz4 n LYS 144 N -4.48 2.09 -2.29 5.26 4.76 -1.26 -4.96 118.16 117.28 1xz4 n LYS 144 Ca 0.03 -1.67 -0.37 0.00 -2.87 0.00 0.00 58.31 53.43 1xz4 n LYS 144 Cb 0.27 -1.41 -0.01 0.00 -1.84 0.00 0.00 35.03 32.04 1xz4 n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1xz4 s TYR 145 N -1.50 2.91 0.00 2.13 2.02 -0.84 -4.76 117.35 117.30 1xz4 s TYR 145 Ca 0.34 1.55 0.00 0.00 -0.37 0.00 0.00 57.07 58.58 1xz4 s TYR 145 Cb 0.18 -3.35 0.00 0.00 -0.40 0.00 0.00 41.96 38.40 1xz4 s TYR 145 CO 0.25 -1.41 0.00 -2.39 -1.57 0.00 0.00 175.55 170.43