#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xz2 s HIS 2 N 0.00 2.93 0.07 6.34 5.04 -1.26 -4.76 115.29 123.64 1xz2 s HIS 2 Ca 0.00 -1.41 -0.00 0.00 -1.54 0.00 0.00 55.06 52.10 1xz2 s HIS 2 Cb 0.00 -4.53 -0.04 0.00 0.04 0.00 0.00 32.58 28.05 1xz2 s HIS 2 CO 0.00 -1.69 0.22 -0.51 -2.34 0.00 0.00 174.74 170.42 1xz2 s LEU 3 N 3.56 4.35 0.78 8.88 1.43 -1.26 -5.10 118.68 131.33 1xz2 s LEU 3 Ca 0.44 0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 53.72 1xz2 s LEU 3 Cb -0.01 -2.98 0.06 0.00 0.03 0.00 0.00 46.19 43.29 1xz2 s LEU 3 CO -0.04 0.16 1.09 0.42 0.23 0.00 0.00 176.35 178.22 1xz2 s THR 4 N -1.52 3.19 0.47 5.49 -4.23 -1.26 -4.79 115.64 113.00 1xz2 s THR 4 Ca 0.35 0.39 0.14 0.00 -1.18 0.00 0.00 61.69 61.39 1xz2 s THR 4 Cb -0.13 -3.15 0.22 0.00 1.34 0.00 0.00 72.50 70.78 1xz2 s THR 4 CO 0.28 -0.51 2.05 -0.65 -0.54 0.00 0.00 174.62 175.25 1xz2 h PRO 5 N -1.02 0.05 0.00 3.99 0.11 -1.99 0.26 132.00 133.40 1xz2 h PRO 5 Ca -0.46 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.49 1xz2 h PRO 5 Cb 1.26 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1xz2 h PRO 5 CO 0.59 0.13 -0.73 0.93 -0.21 0.00 0.00 178.00 178.72 1xz2 h GLU 6 N 0.05 0.00 -0.18 1.05 4.39 -1.99 -1.94 114.58 115.96 1xz2 h GLU 6 Ca 0.01 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.58 1xz2 h GLU 6 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1xz2 h GLU 6 CO 0.01 0.73 -0.41 0.93 -1.16 0.00 0.00 179.01 179.11 1xz2 h GLU 7 N 0.00 0.60 -0.76 2.33 5.08 -1.58 -2.30 114.58 117.96 1xz2 h GLU 7 Ca -0.01 -0.40 -0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1xz2 h GLU 7 Cb 1.43 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.70 1xz2 h GLU 7 CO 0.09 1.02 0.46 -0.22 -1.00 0.00 0.00 179.01 179.36 1xz2 h LYS 8 N 0.27 1.02 -0.39 2.33 3.11 -0.51 -1.45 116.57 120.95 1xz2 h LYS 8 Ca -0.00 -0.09 -0.11 0.00 -2.81 0.00 0.00 60.65 57.64 1xz2 h LYS 8 Cb 1.02 -0.22 -0.02 0.00 -1.00 0.00 0.00 32.23 32.02 1xz2 h LYS 8 CO 0.09 0.72 -0.19 0.77 -2.81 0.00 0.00 179.45 178.03 1xz2 h SER 9 N 1.03 0.74 -0.32 4.20 0.02 -1.35 -1.69 113.55 116.18 1xz2 h SER 9 Ca 0.27 -0.25 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 1xz2 h SER 9 Cb -0.04 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 1xz2 h SER 9 CO -0.05 0.92 -0.04 0.00 -1.14 0.00 0.00 176.83 176.52 1xz2 h ALA 10 N 1.14 0.43 -0.10 3.77 0.00 -1.00 -0.54 119.26 122.96 1xz2 h ALA 10 Ca 0.10 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1xz2 h ALA 10 Cb 0.68 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1xz2 h ALA 10 CO 0.05 0.23 -0.05 0.28 0.00 0.00 0.00 179.25 179.76 1xz2 h VAL 11 N 0.38 0.83 -0.41 0.00 2.07 -1.07 -2.25 116.25 115.80 1xz2 h VAL 11 Ca 0.08 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.47 1xz2 h VAL 11 Cb 0.52 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1xz2 h VAL 11 CO 0.03 0.00 -0.27 0.71 0.02 0.00 0.00 177.57 178.05 1xz2 h THR 12 N -0.05 1.27 -0.69 2.57 1.35 -1.27 -1.68 112.91 114.41 1xz2 h THR 12 Ca 0.06 -1.43 0.02 0.00 -0.55 0.00 0.00 66.41 64.51 1xz2 h THR 12 Cb 0.13 1.24 -0.04 0.00 -1.73 0.00 0.00 68.15 67.75 1xz2 h THR 12 CO -0.13 0.48 0.44 0.00 -0.25 0.00 0.00 175.52 176.06 1xz2 h ALA 13 N 0.93 0.89 -0.32 6.62 0.00 -0.98 -2.63 119.26 123.77 1xz2 h ALA 13 Ca 0.09 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 1xz2 h ALA 13 Cb 0.83 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1xz2 h ALA 13 CO 0.07 0.24 -0.50 1.25 0.00 0.00 0.00 179.25 180.30 1xz2 h LEU 14 N 0.87 0.99 -1.64 0.00 5.85 -1.25 -3.26 115.31 116.88 1xz2 h LEU 14 Ca 0.27 -0.51 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 1xz2 h LEU 14 Cb -0.03 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 1xz2 h LEU 14 CO -0.09 1.32 -0.00 -0.25 -0.34 0.00 0.00 178.44 179.08 1xz2 h TRP 15 N 0.70 0.22 0.00 1.25 2.91 -0.98 -1.40 115.95 118.65 1xz2 h TRP 15 Ca 0.03 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.04 1xz2 h TRP 15 Cb 1.11 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 29.69 1xz2 h TRP 15 CO 0.07 0.24 0.00 0.78 -1.03 0.00 0.00 178.44 178.50 1xz2 h GLY 16 N 0.47 0.00 -1.01 2.65 0.00 -1.52 -0.89 103.07 102.77 1xz2 h GLY 16 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1xz2 h GLY 16 CO 0.00 0.00 -0.22 0.28 0.00 0.00 0.00 176.54 176.60 1xz2 n LYS 17 N -2.85 1.56 -3.05 4.80 5.02 -0.53 -4.93 118.16 118.19 1xz2 n LYS 17 Ca -0.03 -1.20 -0.40 0.00 -2.02 0.00 0.00 58.31 54.66 1xz2 n LYS 17 Cb 0.06 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.55 1xz2 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xz2 s VAL 18 N -2.27 5.02 -0.70 -0.18 1.01 -0.34 -5.02 120.40 117.94 1xz2 s VAL 18 Ca 0.25 1.41 -0.25 0.00 0.00 0.00 0.00 61.98 63.39 1xz2 s VAL 18 Cb 0.19 -4.03 0.05 0.00 0.00 0.00 0.00 36.38 32.59 1xz2 s VAL 18 CO 0.45 0.20 1.14 0.21 0.00 0.00 0.00 175.10 177.09 1xz2 s ASN 19 N 0.91 6.18 0.45 3.32 3.84 -1.26 -4.89 114.94 123.49 1xz2 s ASN 19 Ca 0.36 -0.65 0.11 0.00 0.21 0.00 0.00 52.86 52.89 1xz2 s ASN 19 Cb -0.17 -2.50 1.02 0.00 -0.55 0.00 0.00 41.25 39.05 1xz2 s ASN 19 CO 0.16 -1.65 2.07 -0.37 -2.79 0.00 0.00 177.10 174.52 1xz2 h VAL 20 N 6.01 1.07 0.56 -5.21 -1.51 -1.95 -1.20 116.25 114.03 1xz2 h VAL 20 Ca -0.28 -0.22 -0.03 0.00 -1.23 0.00 0.00 66.70 64.95 1xz2 h VAL 20 Cb 1.06 0.84 0.01 0.00 -2.13 0.00 0.00 31.29 31.07 1xz2 h VAL 20 CO 1.23 0.08 -0.27 0.44 -1.23 0.00 0.00 177.57 177.83 1xz2 h ASP 21 N 0.26 -0.63 0.10 4.19 3.32 -1.90 0.28 116.42 122.04 1xz2 h ASP 21 Ca 0.07 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1xz2 h ASP 21 Cb 0.04 0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1xz2 h ASP 21 CO -0.01 -0.44 -0.05 -0.33 -1.72 0.00 0.00 179.24 176.69 1xz2 h GLU 22 N -0.77 -0.14 -0.66 3.56 5.08 -1.78 -2.92 114.58 116.96 1xz2 h GLU 22 Ca -0.08 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1xz2 h GLU 22 Cb 0.58 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1xz2 h GLU 22 CO 0.13 -0.09 0.16 0.28 -1.00 0.00 0.00 179.01 178.49 1xz2 h VAL 23 N -0.14 1.25 -0.01 3.13 2.07 -1.28 -2.47 116.25 118.79 1xz2 h VAL 23 Ca -0.01 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.59 1xz2 h VAL 23 Cb 0.11 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1xz2 h VAL 23 CO 0.02 0.35 -0.06 1.23 0.02 0.00 0.00 177.57 179.13 1xz2 h GLY 24 N 1.06 -0.06 1.00 2.17 0.00 -0.85 -0.11 103.07 106.28 1xz2 h GLY 24 Ca 0.21 0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.62 1xz2 h GLY 24 CO 0.00 -0.07 0.43 -1.33 0.00 0.00 0.00 176.54 175.57 1xz2 h GLY 25 N -0.11 0.92 0.94 4.60 0.00 -1.41 -1.41 103.07 106.60 1xz2 h GLY 25 Ca 0.03 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 1xz2 h GLY 25 CO -0.08 0.33 0.14 -2.09 0.00 0.00 0.00 176.54 174.84 1xz2 h GLU 26 N 0.88 0.61 -0.06 4.80 4.57 -1.28 -0.42 114.58 123.68 1xz2 h GLU 26 Ca 0.24 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 1xz2 h GLU 26 Cb -0.09 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.40 1xz2 h GLU 26 CO -0.06 0.59 0.00 0.00 -1.18 0.00 0.00 179.01 178.37 1xz2 h ALA 27 N 0.98 0.08 -0.37 2.92 0.00 -0.87 0.26 119.26 122.26 1xz2 h ALA 27 Ca 0.13 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1xz2 h ALA 27 Cb 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1xz2 h ALA 27 CO -0.01 -0.26 0.03 1.25 0.00 0.00 0.00 179.25 180.26 1xz2 h LEU 28 N -0.17 0.62 -0.54 0.00 5.85 -1.29 -2.12 115.31 117.66 1xz2 h LEU 28 Ca 0.02 -0.29 0.05 0.00 0.84 0.00 0.00 57.88 58.50 1xz2 h LEU 28 Cb 0.31 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 1xz2 h LEU 28 CO 0.00 0.75 0.28 1.23 -0.34 0.00 0.00 178.44 180.36 1xz2 h GLY 29 N 0.47 0.77 1.72 3.75 0.00 -1.06 -2.25 103.07 106.46 1xz2 h GLY 29 Ca 0.11 -0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 1xz2 h GLY 29 CO 0.01 0.12 -0.11 3.21 0.00 0.00 0.00 176.54 179.77 1xz2 h ARG 30 N 0.54 0.34 -0.36 4.80 3.08 -0.84 -1.55 114.38 120.40 1xz2 h ARG 30 Ca 0.24 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 1xz2 h ARG 30 Cb 0.15 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1xz2 h ARG 30 CO -0.16 0.47 0.17 1.25 -1.07 0.00 0.00 179.97 180.62 1xz2 h LEU 31 N 0.33 0.47 -1.47 3.04 5.85 -0.92 0.15 115.31 122.76 1xz2 h LEU 31 Ca 0.07 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 1xz2 h LEU 31 Cb 0.40 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1xz2 h LEU 31 CO 0.02 0.47 -0.27 -0.07 -0.34 0.00 0.00 178.44 178.26 1xz2 h LEU 32 N 0.43 0.00 0.08 2.25 3.38 -0.97 -1.34 115.31 119.14 1xz2 h LEU 32 Ca 0.12 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 1xz2 h LEU 32 Cb 0.13 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.89 1xz2 h LEU 32 CO -0.01 0.27 -0.66 0.58 0.09 0.00 0.00 178.44 178.70 1xz2 h VAL 33 N 0.00 1.49 0.05 1.22 2.07 -0.80 -3.28 116.25 117.00 1xz2 h VAL 33 Ca -0.00 -2.43 -0.25 0.00 0.82 0.00 0.00 66.70 64.84 1xz2 h VAL 33 Cb 0.53 3.13 0.01 0.00 -1.52 0.00 0.00 31.29 33.44 1xz2 h VAL 33 CO 0.04 0.65 -1.06 0.58 0.02 0.00 0.00 177.57 177.79 1xz2 h VAL 34 N -0.62 1.40 -2.58 2.57 2.07 -0.70 -3.35 116.25 115.04 1xz2 h VAL 34 Ca -0.13 -2.58 -0.61 0.00 0.82 0.00 0.00 66.70 64.20 1xz2 h VAL 34 Cb 1.42 2.58 -0.42 0.00 -1.52 0.00 0.00 31.29 33.35 1xz2 h VAL 34 CO 0.06 0.77 -0.63 -1.22 0.02 0.00 0.00 177.57 176.57 1xz2 n TYR 35 N -3.71 3.07 -0.12 1.57 4.01 -0.51 -4.99 117.16 116.47 1xz2 n TYR 35 Ca -0.08 -4.16 0.27 0.00 -0.16 0.00 0.00 57.90 53.77 1xz2 n TYR 35 Cb 0.90 -0.54 0.72 0.00 -0.31 0.00 0.00 39.34 40.11 1xz2 n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1xz2 h PRO 36 N 4.76 0.00 0.00 -0.72 0.11 -1.71 -1.44 132.00 133.01 1xz2 h PRO 36 Ca 0.17 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 1xz2 h PRO 36 Cb 0.72 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.83 1xz2 h PRO 36 CO 0.74 0.00 -0.03 0.11 -0.21 0.00 0.00 178.00 178.61 1xz2 h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.92 -1.50 115.95 113.27 1xz2 h TRP 37 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.36 1xz2 h TRP 37 Cb 1.67 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.91 1xz2 h TRP 37 CO 0.00 0.03 0.00 0.25 0.09 0.00 0.00 178.44 178.81 1xz2 n THR 38 N -3.36 1.03 0.31 0.12 -2.24 -0.54 -2.21 114.28 107.38 1xz2 n THR 38 Ca -0.02 0.28 0.12 0.00 -2.27 0.00 0.00 64.05 62.16 1xz2 n THR 38 Cb 0.16 -1.12 0.54 0.00 -2.10 0.00 0.00 70.33 67.80 1xz2 n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xz2 n GLN 39 N -1.77 0.18 0.20 -0.78 6.02 -0.57 -3.41 117.38 117.26 1xz2 n GLN 39 Ca 0.03 0.51 0.17 0.00 -0.01 0.00 0.00 57.00 57.69 1xz2 n GLN 39 Cb 0.17 -1.92 0.81 0.00 1.02 0.00 0.00 30.24 30.33 1xz2 n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1xz2 h ARG 40 N 0.00 0.00 -0.00 -1.09 0.11 -1.67 -0.60 114.38 111.13 1xz2 h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1xz2 h ARG 40 Cb 0.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.32 1xz2 h ARG 40 CO 0.00 0.00 -0.27 1.19 0.10 0.00 0.00 179.97 180.99 1xz2 n PHE 41 N -3.87 0.00 -1.81 4.08 3.01 -1.22 -4.36 117.46 113.29 1xz2 n PHE 41 Ca 0.02 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.51 1xz2 n PHE 41 Cb 0.33 -0.21 0.16 0.00 -0.01 0.00 0.00 39.48 39.75 1xz2 n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1xz2 n PHE 42 N -1.06 0.22 0.27 1.38 3.01 -0.23 -4.73 117.46 116.32 1xz2 n PHE 42 Ca 0.10 -1.39 0.15 0.00 1.01 0.00 0.00 57.45 57.33 1xz2 n PHE 42 Cb 0.33 -0.24 0.88 0.00 -0.01 0.00 0.00 39.48 40.44 1xz2 n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1xz2 h GLU 43 N 1.11 0.00 0.00 -1.08 5.08 -1.76 -0.65 114.58 117.28 1xz2 h GLU 43 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1xz2 h GLU 43 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1xz2 h GLU 43 CO 0.07 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.95 1xz2 n SER 44 N -3.88 0.00 -0.04 1.42 3.41 -1.26 -3.09 113.62 110.18 1xz2 n SER 44 Ca -0.02 0.50 0.13 0.00 -0.26 0.00 0.00 58.87 59.22 1xz2 n SER 44 Cb 0.14 -0.50 0.47 0.00 -0.26 0.00 0.00 64.21 64.06 1xz2 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1xz2 n PHE 45 N -1.50 0.00 -0.68 7.33 0.99 -0.25 -5.05 117.46 118.29 1xz2 n PHE 45 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.49 1xz2 n PHE 45 Cb 0.21 -0.31 0.00 0.00 -1.00 0.00 0.00 39.48 38.37 1xz2 n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1xz2 n GLY 46 N 1.44 0.09 3.66 1.37 0.00 -1.18 -4.80 105.19 105.78 1xz2 n GLY 46 Ca 0.08 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 1xz2 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xz2 s ASP 47 N -4.00 6.76 -0.07 1.61 3.68 -1.26 -4.87 116.67 118.52 1xz2 s ASP 47 Ca 0.00 2.08 0.19 0.00 2.13 0.00 0.00 52.55 56.95 1xz2 s ASP 47 Cb 0.00 -2.54 0.37 0.00 -1.45 0.00 0.00 42.92 39.30 1xz2 s ASP 47 CO 0.00 -0.86 1.16 0.18 0.13 0.00 0.00 175.17 175.78 1xz2 n LEU 48 N 6.78 1.44 0.23 -1.34 4.77 -1.26 -4.36 117.00 123.25 1xz2 n LEU 48 Ca 0.16 -2.48 0.13 0.00 -0.03 0.00 0.00 56.01 53.79 1xz2 n LEU 48 Cb 0.43 -0.17 0.29 0.00 -2.33 0.00 0.00 43.42 41.64 1xz2 n LEU 48 CO 0.60 0.74 0.83 0.77 -1.33 0.00 0.00 177.39 179.00 1xz2 h SER 49 N 0.83 0.00 -4.86 -1.43 4.64 -1.93 -3.44 113.55 107.36 1xz2 h SER 49 Ca -0.13 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.01 1xz2 h SER 49 Cb 1.54 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.48 1xz2 h SER 49 CO 0.06 0.04 -0.69 0.42 -0.87 0.00 0.00 176.83 175.78 1xz2 s THR 50 N -3.31 0.48 0.28 2.95 -4.23 -1.26 -5.04 115.64 105.52 1xz2 s THR 50 Ca 0.05 -1.78 0.03 0.00 -1.18 0.00 0.00 61.69 58.81 1xz2 s THR 50 Cb 0.06 -1.48 0.28 0.00 1.34 0.00 0.00 72.50 72.70 1xz2 s THR 50 CO 0.64 -0.86 1.78 -0.65 -0.54 0.00 0.00 174.62 174.99 1xz2 h PRO 51 N 3.23 0.72 -0.52 3.99 0.11 -1.98 -1.14 132.00 136.41 1xz2 h PRO 51 Ca -0.35 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.62 1xz2 h PRO 51 Cb 1.16 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1xz2 h PRO 51 CO 0.62 0.48 -0.09 -0.44 -0.21 0.00 0.00 178.00 178.36 1xz2 h ASP 52 N 0.74 0.95 -0.26 -2.05 3.32 -1.98 -1.49 116.42 115.66 1xz2 h ASP 52 Ca 0.52 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 1xz2 h ASP 52 Cb 0.75 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1xz2 h ASP 52 CO -0.36 1.05 0.07 0.00 -1.72 0.00 0.00 179.24 178.28 1xz2 h ALA 53 N 1.03 0.34 0.53 3.45 0.00 -1.63 -2.14 119.26 120.84 1xz2 h ALA 53 Ca 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1xz2 h ALA 53 Cb 0.63 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1xz2 h ALA 53 CO 0.04 -0.02 -0.28 0.28 0.00 0.00 0.00 179.25 179.27 1xz2 h VAL 54 N 0.24 0.42 0.00 0.00 2.07 -1.08 -1.80 116.25 116.09 1xz2 h VAL 54 Ca 0.08 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 1xz2 h VAL 54 Cb 0.26 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1xz2 h VAL 54 CO -0.00 0.00 -0.08 0.24 0.02 0.00 0.00 177.57 177.75 1xz2 h MET 55 N -0.75 0.00 -0.02 1.57 2.07 -1.29 -2.32 114.93 114.19 1xz2 h MET 55 Ca -0.07 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.56 1xz2 h MET 55 Cb 0.60 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.33 1xz2 h MET 55 CO 0.10 0.08 -0.17 0.41 1.07 0.00 0.00 176.91 178.40 1xz2 n GLY 56 N -1.01 0.16 3.66 8.32 0.00 -0.81 -4.92 105.19 110.59 1xz2 n GLY 56 Ca -0.02 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 1xz2 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xz2 s ASN 57 N -2.22 6.83 0.51 1.61 3.84 -0.70 -4.91 114.94 119.91 1xz2 s ASN 57 Ca 0.28 1.82 0.25 0.00 0.21 0.00 0.00 52.86 55.41 1xz2 s ASN 57 Cb 0.20 -2.54 1.39 0.00 -0.55 0.00 0.00 41.25 39.75 1xz2 s ASN 57 CO 0.42 -0.84 2.08 1.55 -2.79 0.00 0.00 177.10 177.52 1xz2 h PRO 58 N 8.72 0.00 0.01 0.43 0.13 -1.91 -2.32 132.00 137.06 1xz2 h PRO 58 Ca -0.30 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.61 1xz2 h PRO 58 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1xz2 h PRO 58 CO 0.97 0.12 -0.93 0.87 -0.23 0.00 0.00 178.00 178.80 1xz2 h LYS 59 N 0.00 0.30 -0.55 0.86 1.57 -1.91 -1.11 116.57 115.74 1xz2 h LYS 59 Ca -0.00 -0.34 -0.04 0.00 -1.87 0.00 0.00 60.65 58.40 1xz2 h LYS 59 Cb 0.29 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1xz2 h LYS 59 CO 0.02 1.04 0.19 0.28 -0.57 0.00 0.00 179.45 180.41 1xz2 h VAL 60 N 0.16 1.23 -0.37 0.50 2.07 -1.77 -0.30 116.25 117.78 1xz2 h VAL 60 Ca -0.07 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.65 1xz2 h VAL 60 Cb 1.57 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1xz2 h VAL 60 CO 0.15 0.29 0.07 0.11 0.02 0.00 0.00 177.57 178.21 1xz2 h LYS 61 N 0.77 0.60 -0.16 1.57 1.57 -1.30 -1.07 116.57 118.55 1xz2 h LYS 61 Ca 0.18 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1xz2 h LYS 61 Cb 0.26 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1xz2 h LYS 61 CO -0.01 0.65 0.08 0.00 -0.57 0.00 0.00 179.45 179.60 1xz2 h ALA 62 N 0.92 0.20 -0.94 3.86 0.00 -1.10 -2.34 119.26 119.86 1xz2 h ALA 62 Ca 0.11 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xz2 h ALA 62 Cb 0.34 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1xz2 h ALA 62 CO 0.00 -0.25 0.58 1.25 0.00 0.00 0.00 179.25 180.84 1xz2 h HIS 63 N 0.14 1.22 -0.92 0.00 -0.00 -1.00 -2.34 115.15 112.25 1xz2 h HIS 63 Ca 0.05 0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.48 1xz2 h HIS 63 Cb 0.10 -0.40 -0.06 0.00 -0.00 0.00 0.00 27.41 27.05 1xz2 h HIS 63 CO -0.03 0.80 0.60 0.78 -0.00 0.00 0.00 177.93 180.08 1xz2 h GLY 64 N 1.29 1.34 1.03 5.26 0.00 -0.93 -0.77 103.07 110.30 1xz2 h GLY 64 Ca 0.34 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 1xz2 h GLY 64 CO -0.07 0.35 0.19 1.70 0.00 0.00 0.00 176.54 178.71 1xz2 h LYS 65 N 1.10 1.03 -0.02 4.80 3.64 -0.90 -1.16 116.57 125.06 1xz2 h LYS 65 Ca 0.38 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1xz2 h LYS 65 Cb 0.11 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1xz2 h LYS 65 CO -0.13 0.91 0.00 -0.22 -2.27 0.00 0.00 179.45 177.74 1xz2 h LYS 66 N 0.96 0.03 0.20 1.90 3.64 -1.02 -0.52 116.57 121.75 1xz2 h LYS 66 Ca 0.21 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1xz2 h LYS 66 Cb 0.32 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1xz2 h LYS 66 CO -0.00 0.26 -0.13 0.28 -2.27 0.00 0.00 179.45 177.58 1xz2 h VAL 67 N -0.21 0.71 0.00 2.00 2.07 -1.09 -1.68 116.25 118.04 1xz2 h VAL 67 Ca 0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1xz2 h VAL 67 Cb 0.25 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1xz2 h VAL 67 CO 0.00 0.00 -0.15 0.25 0.02 0.00 0.00 177.57 177.69 1xz2 h LEU 68 N -0.33 0.00 -0.57 2.57 5.85 -1.24 -1.07 115.31 120.52 1xz2 h LEU 68 Ca -0.02 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.59 1xz2 h LEU 68 Cb 0.28 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1xz2 h LEU 68 CO 0.01 0.15 -0.13 1.23 -0.34 0.00 0.00 178.44 179.36 1xz2 h GLY 69 N 2.35 1.09 1.38 3.75 0.00 -0.77 0.17 103.07 111.04 1xz2 h GLY 69 Ca -0.00 -0.89 -0.13 0.00 0.00 0.00 0.00 47.33 46.30 1xz2 h GLY 69 CO 0.02 0.82 -0.34 0.00 0.00 0.00 0.00 176.54 177.03 1xz2 h ALA 70 N 0.95 0.81 -0.33 3.60 0.00 -0.83 -1.51 119.26 121.95 1xz2 h ALA 70 Ca 0.14 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1xz2 h ALA 70 Cb 0.69 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1xz2 h ALA 70 CO 0.05 0.65 0.16 0.35 0.00 0.00 0.00 179.25 180.45 1xz2 h PHE 71 N 0.58 0.47 -0.87 0.00 3.57 -1.11 -2.38 116.94 117.20 1xz2 h PHE 71 Ca 0.06 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.55 1xz2 h PHE 71 Cb 0.87 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.41 1xz2 h PHE 71 CO 0.04 0.41 0.57 1.03 -2.23 0.00 0.00 178.31 178.14 1xz2 h SER 72 N 0.39 0.98 -0.54 0.41 0.87 -0.68 -0.59 113.55 114.39 1xz2 h SER 72 Ca 0.11 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1xz2 h SER 72 Cb 0.12 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 1xz2 h SER 72 CO -0.01 0.70 0.33 0.44 -0.53 0.00 0.00 176.83 177.75 1xz2 h ASP 73 N 1.15 0.66 0.37 6.23 3.32 -1.16 -2.25 116.42 124.74 1xz2 h ASP 73 Ca 0.33 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.31 1xz2 h ASP 73 Cb -0.09 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.29 1xz2 h ASP 73 CO -0.08 0.51 -0.17 1.23 -1.72 0.00 0.00 179.24 179.01 1xz2 h GLY 74 N 0.80 0.00 1.96 2.75 0.00 -0.58 -2.59 103.07 105.41 1xz2 h GLY 74 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1xz2 h GLY 74 CO -0.04 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.54 1xz2 n LEU 75 N -3.79 0.00 -0.19 3.11 4.77 -0.84 -1.91 117.00 118.15 1xz2 n LEU 75 Ca -0.02 0.48 0.12 0.00 -0.03 0.00 0.00 56.01 56.57 1xz2 n LEU 75 Cb 0.27 -0.48 0.31 0.00 -2.33 0.00 0.00 43.42 41.18 1xz2 n LEU 75 CO 0.32 -0.22 0.56 0.00 -1.33 0.00 0.00 177.39 176.72 1xz2 n ALA 76 N -1.48 3.29 -2.62 -1.18 0.00 -0.98 -4.25 120.51 113.29 1xz2 n ALA 76 Ca 0.04 -0.41 -0.09 0.00 0.00 0.00 0.00 53.44 52.98 1xz2 n ALA 76 Cb 0.18 -1.10 0.03 0.00 0.00 0.00 0.00 19.45 18.57 1xz2 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xz2 n HIS 77 N -0.86 1.70 0.05 0.00 8.25 -0.80 -4.89 115.22 118.66 1xz2 n HIS 77 Ca 0.10 -2.45 0.20 0.00 -0.26 0.00 0.00 57.72 55.32 1xz2 n HIS 77 Cb 0.35 -0.28 0.73 0.00 1.12 0.00 0.00 29.99 31.92 1xz2 n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1xz2 h LEU 78 N 2.65 0.00 -0.13 2.41 3.38 -1.73 0.33 115.31 122.22 1xz2 h LEU 78 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xz2 h LEU 78 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1xz2 h LEU 78 CO 0.44 0.00 -0.02 0.47 0.09 0.00 0.00 178.44 179.42 1xz2 n ASP 79 N -4.09 0.22 -2.72 -0.43 10.43 -1.26 -2.46 116.55 116.24 1xz2 n ASP 79 Ca 0.08 -0.78 -0.09 0.00 2.57 0.00 0.00 54.79 56.57 1xz2 n ASP 79 Cb 0.58 -0.08 0.08 0.00 1.84 0.00 0.00 41.12 43.54 1xz2 n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1xz2 n ASN 80 N -0.94 -0.59 -0.17 -2.24 5.15 0.12 -4.75 115.26 111.83 1xz2 n ASN 80 Ca 0.20 -2.70 -0.06 0.00 -0.60 0.00 0.00 54.58 51.42 1xz2 n ASN 80 Cb 0.19 0.45 0.04 0.00 -0.53 0.00 0.00 39.78 39.93 1xz2 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1xz2 h LEU 81 N 2.51 0.49 -0.73 1.20 3.38 -1.67 -2.31 115.31 118.19 1xz2 h LEU 81 Ca -0.17 0.00 0.16 0.00 0.09 0.00 0.00 57.88 57.96 1xz2 h LEU 81 Cb 1.22 -0.10 -0.12 0.00 0.09 0.00 0.00 40.66 41.74 1xz2 h LEU 81 CO 0.19 0.35 0.04 0.11 0.09 0.00 0.00 178.44 179.22 1xz2 h LYS 82 N 0.61 0.13 -0.19 1.13 1.57 -1.91 -1.00 116.57 116.92 1xz2 h LYS 82 Ca 0.21 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 1xz2 h LYS 82 Cb 0.02 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1xz2 h LYS 82 CO -0.09 0.09 0.04 0.78 -0.57 0.00 0.00 179.45 179.70 1xz2 h GLY 83 N 0.13 0.32 1.81 3.86 0.00 -1.84 -2.71 103.07 104.65 1xz2 h GLY 83 Ca 0.40 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.48 1xz2 h GLY 83 CO -0.61 0.19 -0.09 -0.84 0.00 0.00 0.00 176.54 175.18 1xz2 h THR 84 N 0.11 1.16 -0.48 4.70 2.02 -0.81 -3.16 112.91 116.45 1xz2 h THR 84 Ca 0.06 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.55 1xz2 h THR 84 Cb 0.27 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1xz2 h THR 84 CO 0.00 0.22 0.00 0.49 0.37 0.00 0.00 175.52 176.60 1xz2 n PHE 85 N -4.31 0.84 -0.06 3.16 3.01 -0.46 -4.68 117.46 114.96 1xz2 n PHE 85 Ca -0.01 -0.57 -0.10 0.00 1.01 0.00 0.00 57.45 57.78 1xz2 n PHE 85 Cb 0.24 -0.10 -0.03 0.00 -0.01 0.00 0.00 39.48 39.58 1xz2 n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xz2 h ALA 86 N 2.92 0.29 -0.54 4.37 0.00 -1.44 0.22 119.26 125.08 1xz2 h ALA 86 Ca 0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1xz2 h ALA 86 Cb 1.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1xz2 h ALA 86 CO 0.07 -0.18 -0.12 1.15 0.00 0.00 0.00 179.25 180.18 1xz2 h THR 87 N 0.27 1.27 -0.58 0.00 2.02 -1.84 -2.51 112.91 111.54 1xz2 h THR 87 Ca 0.08 -1.28 -0.06 0.00 0.77 0.00 0.00 66.41 65.93 1xz2 h THR 87 Cb 0.05 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 1xz2 h THR 87 CO -0.01 0.45 0.12 -0.07 0.37 0.00 0.00 175.52 176.38 1xz2 h LEU 88 N 0.90 0.87 0.01 2.58 3.38 -1.77 -1.37 115.31 119.91 1xz2 h LEU 88 Ca 0.14 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1xz2 h LEU 88 Cb 0.69 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1xz2 h LEU 88 CO 0.05 0.86 -0.01 -1.28 0.09 0.00 0.00 178.44 178.15 1xz2 h SER 89 N 0.88 -0.03 -0.63 -0.43 0.87 -0.33 -0.67 113.55 113.21 1xz2 h SER 89 Ca 0.19 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.81 1xz2 h SER 89 Cb 0.35 0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.26 1xz2 h SER 89 CO 0.00 -0.02 0.33 -0.33 -0.53 0.00 0.00 176.83 176.28 1xz2 h GLU 90 N -0.03 0.58 -0.58 2.24 5.08 -1.28 -1.52 114.58 119.07 1xz2 h GLU 90 Ca 0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1xz2 h GLU 90 Cb 0.03 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1xz2 h GLU 90 CO -0.00 0.39 0.29 1.25 -1.00 0.00 0.00 179.01 179.93 1xz2 h LEU 91 N 0.60 0.75 -1.20 1.33 5.85 -0.98 -0.11 115.31 121.55 1xz2 h LEU 91 Ca 0.29 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 1xz2 h LEU 91 Cb 0.21 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1xz2 h LEU 91 CO -0.20 0.66 -0.37 0.45 -0.34 0.00 0.00 178.44 178.64 1xz2 h HIS 92 N 0.79 0.00 0.00 1.25 3.86 -0.70 -1.30 115.15 119.04 1xz2 h HIS 92 Ca 0.20 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 1xz2 h HIS 92 Cb 0.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.57 1xz2 h HIS 92 CO -0.00 0.37 -0.14 0.00 0.86 0.00 0.00 177.93 179.01 1xz2 h ASP 94 N -0.88 0.83 0.02 0.00 3.32 -1.14 -3.07 116.42 115.49 1xz2 h ASP 94 Ca 0.00 -0.55 -0.40 0.00 0.02 0.00 0.00 57.03 56.10 1xz2 h ASP 94 Cb 0.14 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.39 1xz2 h ASP 94 CO 0.00 1.34 -2.37 0.29 -1.72 0.00 0.00 179.24 176.78 1xz2 n LYS 95 N -3.90 0.65 0.02 3.56 4.76 -0.96 -4.66 118.16 117.62 1xz2 n LYS 95 Ca -0.07 0.21 0.07 0.00 -2.87 0.00 0.00 58.31 55.65 1xz2 n LYS 95 Cb 0.75 -1.55 -0.11 0.00 -1.84 0.00 0.00 35.03 32.29 1xz2 n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1xz2 n LEU 96 N -3.55 0.38 -3.62 -0.35 4.77 -0.53 -5.00 117.00 109.09 1xz2 n LEU 96 Ca -0.45 0.15 -0.23 0.00 -0.03 0.00 0.00 56.01 55.45 1xz2 n LEU 96 Cb 0.96 0.05 0.07 0.00 -2.33 0.00 0.00 43.42 42.17 1xz2 n LEU 96 CO 0.23 0.02 0.13 1.41 -1.33 0.00 0.00 177.39 177.86 1xz2 n HIS 97 N -2.53 -2.43 -3.25 -1.77 8.25 -0.25 -4.96 115.22 108.27 1xz2 n HIS 97 Ca -0.07 0.95 -0.40 0.00 -0.26 0.00 0.00 57.72 57.94 1xz2 n HIS 97 Cb 0.67 -4.76 -0.08 0.00 1.12 0.00 0.00 29.99 26.94 1xz2 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1xz2 s VAL 98 N -3.38 5.07 0.04 1.59 1.01 -0.58 -5.03 120.40 119.12 1xz2 s VAL 98 Ca 0.34 0.77 -0.32 0.00 0.00 0.00 0.00 61.98 62.78 1xz2 s VAL 98 Cb -0.16 -3.83 -0.10 0.00 0.00 0.00 0.00 36.38 32.29 1xz2 s VAL 98 CO 0.76 0.05 1.89 -0.67 0.00 0.00 0.00 175.10 177.13 1xz2 n ASP 99 N 5.55 3.91 0.24 3.32 4.64 -1.26 -4.79 116.55 128.16 1xz2 n ASP 99 Ca -0.05 0.95 0.14 0.00 -1.38 0.00 0.00 54.79 54.46 1xz2 n ASP 99 Cb 0.50 -1.49 0.77 0.00 -1.04 0.00 0.00 41.12 39.85 1xz2 n ASP 99 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1xz2 h PRO 100 N 9.37 0.00 -0.45 -0.67 0.11 -1.97 -1.05 132.00 137.34 1xz2 h PRO 100 Ca -0.48 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.74 1xz2 h PRO 100 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1xz2 h PRO 100 CO 0.94 0.00 0.31 1.49 -0.21 0.00 0.00 178.00 180.54 1xz2 h GLU 101 N 0.00 0.12 -0.16 1.05 4.57 -1.99 -1.06 114.58 117.11 1xz2 h GLU 101 Ca 0.00 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1xz2 h GLU 101 Cb 0.21 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 1xz2 h GLU 101 CO 0.00 0.08 0.03 -0.91 -1.18 0.00 0.00 179.01 177.03 1xz2 h ASN 102 N 0.12 0.19 0.10 1.04 2.35 -1.56 -1.90 115.58 115.92 1xz2 h ASN 102 Ca 0.21 -0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.84 1xz2 h ASN 102 Cb 0.68 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 1xz2 h ASN 102 CO -0.02 0.21 -0.34 -0.26 -1.65 0.00 0.00 177.43 175.37 1xz2 h PHE 103 N 0.22 0.40 -0.32 1.19 0.04 -1.39 -1.33 116.94 115.75 1xz2 h PHE 103 Ca 0.06 -0.10 -0.12 0.00 2.80 0.00 0.00 57.97 60.61 1xz2 h PHE 103 Cb 0.10 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 1xz2 h PHE 103 CO 0.00 0.65 -0.29 0.00 -0.60 0.00 0.00 178.31 178.07 1xz2 h ARG 104 N 0.30 0.76 -0.45 1.51 3.08 -1.38 -2.19 114.38 116.01 1xz2 h ARG 104 Ca 0.04 -0.39 -0.01 0.00 0.07 0.00 0.00 59.98 59.69 1xz2 h ARG 104 Cb 0.74 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 1xz2 h ARG 104 CO 0.06 1.01 0.25 -0.07 -1.07 0.00 0.00 179.97 180.15 1xz2 h LEU 105 N 0.52 0.55 -1.13 3.04 3.38 -1.21 -2.44 115.31 118.02 1xz2 h LEU 105 Ca 0.05 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1xz2 h LEU 105 Cb 0.86 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 1xz2 h LEU 105 CO 0.07 0.47 0.43 0.25 0.09 0.00 0.00 178.44 179.75 1xz2 h LEU 106 N 0.59 0.92 -0.29 1.67 5.85 -1.24 -1.89 115.31 120.91 1xz2 h LEU 106 Ca 0.16 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1xz2 h LEU 106 Cb 0.04 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 1xz2 h LEU 106 CO -0.03 0.72 0.09 1.23 -0.34 0.00 0.00 178.44 180.11 1xz2 h GLY 107 N 1.08 0.35 1.47 3.75 0.00 -0.94 0.32 103.07 109.10 1xz2 h GLY 107 Ca 0.27 -0.05 -0.11 0.00 0.00 0.00 0.00 47.33 47.44 1xz2 h GLY 107 CO -0.05 0.02 -0.29 3.43 0.00 0.00 0.00 176.54 179.65 1xz2 h ASN 108 N 0.21 0.62 -0.59 0.19 2.35 -1.19 -1.94 115.58 115.22 1xz2 h ASN 108 Ca 0.13 -0.23 -0.09 0.00 -0.55 0.00 0.00 56.30 55.56 1xz2 h ASN 108 Cb 0.11 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 1xz2 h ASN 108 CO -0.15 0.87 0.02 0.58 -1.65 0.00 0.00 177.43 177.11 1xz2 h VAL 109 N 0.52 1.26 -0.61 2.81 2.07 -1.03 -1.59 116.25 119.68 1xz2 h VAL 109 Ca 0.07 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1xz2 h VAL 109 Cb 0.76 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1xz2 h VAL 109 CO 0.06 0.41 0.35 0.25 0.02 0.00 0.00 177.57 178.66 1xz2 h LEU 110 N 0.93 0.75 -0.55 2.57 5.85 -0.77 -0.25 115.31 123.84 1xz2 h LEU 110 Ca 0.17 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1xz2 h LEU 110 Cb 0.53 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1xz2 h LEU 110 CO 0.03 0.61 0.36 0.58 -0.34 0.00 0.00 178.44 179.67 1xz2 h VAL 111 N 0.83 1.12 -0.88 1.05 2.07 -1.08 0.04 116.25 119.40 1xz2 h VAL 111 Ca 0.22 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 67.55 1xz2 h VAL 111 Cb 0.01 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.05 1xz2 h VAL 111 CO -0.04 0.13 0.55 0.00 0.02 0.00 0.00 177.57 178.23 1xz2 h VAL 113 N 1.00 1.26 -0.82 0.00 2.07 -0.25 -0.53 116.25 118.97 1xz2 h VAL 113 Ca 0.38 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 1xz2 h VAL 113 Cb 0.17 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1xz2 h VAL 113 CO -0.17 0.36 0.38 -0.07 0.02 0.00 0.00 177.57 178.08 1xz2 h LEU 114 N 0.66 1.09 -0.73 2.57 3.38 -0.77 -0.14 115.31 121.38 1xz2 h LEU 114 Ca 0.13 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1xz2 h LEU 114 Cb 0.47 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1xz2 h LEU 114 CO 0.02 0.93 0.21 0.00 0.09 0.00 0.00 178.44 179.69 1xz2 h ALA 115 N 1.20 0.96 -0.48 1.53 0.00 -1.03 -0.23 119.26 121.21 1xz2 h ALA 115 Ca 0.28 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1xz2 h ALA 115 Cb 0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1xz2 h ALA 115 CO -0.03 0.66 0.02 1.25 0.00 0.00 0.00 179.25 181.14 1xz2 h HIS 116 N 1.09 0.91 -0.25 0.00 -0.00 -0.72 -0.58 115.15 115.60 1xz2 h HIS 116 Ca 0.23 -0.15 -0.19 0.00 -0.00 0.00 0.00 60.37 60.26 1xz2 h HIS 116 Cb 0.34 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 27.51 1xz2 h HIS 116 CO 0.03 0.86 -0.60 1.25 -0.00 0.00 0.00 177.93 179.47 1xz2 h HIS 117 N 0.70 1.08 0.00 5.26 6.17 -0.77 -3.34 115.15 124.24 1xz2 h HIS 117 Ca 0.14 -0.41 0.00 0.00 0.71 0.00 0.00 60.37 60.81 1xz2 h HIS 117 Cb 0.48 -0.19 0.00 0.00 2.52 0.00 0.00 27.41 30.22 1xz2 h HIS 117 CO 0.04 1.24 -0.82 1.19 0.71 0.00 0.00 177.93 180.28 1xz2 n PHE 118 N -4.01 0.00 -1.66 5.26 3.01 -0.12 -5.06 117.46 114.88 1xz2 n PHE 118 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.41 1xz2 n PHE 118 Cb 0.65 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 40.11 1xz2 n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xz2 n GLY 119 N 1.40 3.14 0.34 1.37 0.00 -0.23 -2.51 105.19 108.70 1xz2 n GLY 119 Ca 0.03 -0.19 0.19 0.00 0.00 0.00 0.00 46.02 46.05 1xz2 n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1xz2 h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.97 0.34 116.57 118.65 1xz2 h LYS 120 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1xz2 h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1xz2 h LYS 120 CO 0.00 0.00 -0.09 0.93 -2.00 0.00 0.00 179.45 178.29 1xz2 h GLU 121 N 0.00 0.00 -4.16 0.07 5.08 -1.89 -3.33 114.58 110.36 1xz2 h GLU 121 Ca 0.01 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.64 1xz2 h GLU 121 Cb 0.31 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.46 1xz2 h GLU 121 CO -0.00 0.09 2.44 0.34 -1.00 0.00 0.00 179.01 180.88 1xz2 n PHE 122 N -3.22 3.63 -1.39 4.33 7.35 0.11 -4.94 117.46 123.34 1xz2 n PHE 122 Ca 0.01 -2.93 -0.30 0.00 -0.76 0.00 0.00 57.45 53.46 1xz2 n PHE 122 Cb 0.37 -2.32 0.11 0.00 0.35 0.00 0.00 39.48 37.99 1xz2 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1xz2 s THR 123 N 2.19 2.86 0.18 -2.13 -4.23 -1.25 -4.70 115.64 108.55 1xz2 s THR 123 Ca 0.45 0.28 -0.16 0.00 -1.18 0.00 0.00 61.69 61.07 1xz2 s THR 123 Cb 0.09 -2.90 0.14 0.00 1.34 0.00 0.00 72.50 71.17 1xz2 s THR 123 CO -0.02 -0.36 1.65 -0.65 -0.54 0.00 0.00 174.62 174.69 1xz2 h PRO 124 N -1.31 -0.03 -0.36 3.99 0.11 -1.93 0.64 132.00 133.11 1xz2 h PRO 124 Ca -0.48 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1xz2 h PRO 124 Cb 1.28 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 1xz2 h PRO 124 CO 0.57 -0.02 0.09 -1.35 -0.21 0.00 0.00 178.00 177.08 1xz2 h PRO 125 N -0.03 0.53 -0.35 1.05 0.11 -1.99 -0.63 132.00 130.68 1xz2 h PRO 125 Ca 0.23 -0.09 -0.14 0.00 0.11 0.00 0.00 66.00 66.11 1xz2 h PRO 125 Cb 0.38 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 1xz2 h PRO 125 CO -0.50 0.49 -0.34 0.28 -0.21 0.00 0.00 178.00 177.72 1xz2 h VAL 126 N 0.52 1.28 -0.42 3.15 2.07 -1.79 -2.13 116.25 118.94 1xz2 h VAL 126 Ca 0.12 -1.51 0.02 0.00 0.82 0.00 0.00 66.70 66.16 1xz2 h VAL 126 Cb 0.21 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1xz2 h VAL 126 CO -0.00 0.50 0.23 -0.61 0.02 0.00 0.00 177.57 177.70 1xz2 h GLN 127 N 0.65 0.45 -0.83 1.57 4.15 -0.47 -1.41 115.11 119.22 1xz2 h GLN 127 Ca 0.06 -0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.50 1xz2 h GLN 127 Cb 0.92 -0.10 -0.06 0.00 0.21 0.00 0.00 27.48 28.46 1xz2 h GLN 127 CO 0.08 0.30 0.51 0.00 -1.93 0.00 0.00 178.83 177.80 1xz2 h ALA 128 N 1.20 1.12 -0.38 3.38 0.00 -0.93 0.10 119.26 123.76 1xz2 h ALA 128 Ca 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1xz2 h ALA 128 Cb 0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1xz2 h ALA 128 CO -0.10 0.28 0.18 0.00 0.00 0.00 0.00 179.25 179.61 1xz2 h ALA 129 N 1.38 0.49 -0.00 0.00 0.00 -1.04 -2.32 119.26 117.77 1xz2 h ALA 129 Ca 0.35 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 1xz2 h ALA 129 Cb 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1xz2 h ALA 129 CO -0.16 0.06 -0.40 1.88 0.00 0.00 0.00 179.25 180.63 1xz2 h TYR 130 N 0.48 0.01 -0.66 0.00 0.05 -0.44 -2.07 116.97 114.34 1xz2 h TYR 130 Ca 0.13 -0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.83 1xz2 h TYR 130 Cb 0.12 -0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.83 1xz2 h TYR 130 CO -0.01 0.41 0.09 1.96 -1.05 0.00 0.00 178.16 179.56 1xz2 h GLN 131 N 0.01 1.10 -0.49 4.88 1.08 -0.50 0.41 115.11 121.60 1xz2 h GLN 131 Ca -0.00 -0.30 -0.04 0.00 -1.45 0.00 0.00 58.65 56.86 1xz2 h GLN 131 Cb 0.72 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.00 1xz2 h GLN 131 CO 0.05 1.01 0.16 0.87 -0.95 0.00 0.00 178.83 179.98 1xz2 h LYS 132 N 1.03 0.75 0.10 1.46 1.57 -1.04 -1.94 116.57 118.50 1xz2 h LYS 132 Ca 0.20 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1xz2 h LYS 132 Cb 0.46 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 1xz2 h LYS 132 CO 0.02 0.70 -0.06 0.28 -0.57 0.00 0.00 179.45 179.81 1xz2 h VAL 133 N 0.65 0.86 -0.17 0.50 2.07 -1.04 -1.37 116.25 117.76 1xz2 h VAL 133 Ca 0.16 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.60 1xz2 h VAL 133 Cb 0.25 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1xz2 h VAL 133 CO -0.01 0.00 -0.24 -0.37 0.02 0.00 0.00 177.57 176.98 1xz2 h VAL 134 N -0.16 1.24 -0.46 2.57 -1.51 -0.82 -0.19 116.25 116.92 1xz2 h VAL 134 Ca -0.01 -1.12 -0.11 0.00 -1.23 0.00 0.00 66.70 64.23 1xz2 h VAL 134 Cb 0.14 1.38 -0.02 0.00 -2.13 0.00 0.00 31.29 30.66 1xz2 h VAL 134 CO 0.01 0.35 -0.16 0.00 -1.23 0.00 0.00 177.57 176.53 1xz2 h ALA 135 N 1.49 0.85 -0.38 5.19 0.00 -1.25 -1.54 119.26 123.61 1xz2 h ALA 135 Ca 0.04 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1xz2 h ALA 135 Cb 0.57 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1xz2 h ALA 135 CO 0.04 0.64 -0.05 0.78 0.00 0.00 0.00 179.25 180.66 1xz2 h GLY 136 N 0.95 0.77 0.95 0.00 0.00 -0.40 -0.50 103.07 104.83 1xz2 h GLY 136 Ca 0.12 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 1xz2 h GLY 136 CO 0.05 0.56 0.14 -2.08 0.00 0.00 0.00 176.54 175.21 1xz2 h VAL 137 N 0.52 1.22 -0.66 4.60 2.07 -1.00 0.08 116.25 123.08 1xz2 h VAL 137 Ca 0.10 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 1xz2 h VAL 137 Cb 0.55 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1xz2 h VAL 137 CO 0.03 0.26 0.40 0.00 0.02 0.00 0.00 177.57 178.28 1xz2 h ALA 138 N 0.99 0.84 -0.66 1.67 0.00 -1.12 0.11 119.26 121.09 1xz2 h ALA 138 Ca 0.14 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1xz2 h ALA 138 Cb 0.26 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1xz2 h ALA 138 CO -0.00 0.31 0.27 -0.91 0.00 0.00 0.00 179.25 178.91 1xz2 h ASN 139 N 0.89 0.91 -0.22 0.00 2.35 -0.88 -1.57 115.58 117.06 1xz2 h ASN 139 Ca 0.24 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1xz2 h ASN 139 Cb -0.04 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 1xz2 h ASN 139 CO -0.05 0.83 0.10 0.00 -1.65 0.00 0.00 177.43 176.66 1xz2 h ALA 140 N 1.11 0.29 0.00 -0.83 0.00 -0.56 -2.03 119.26 117.24 1xz2 h ALA 140 Ca 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1xz2 h ALA 140 Cb 0.20 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1xz2 h ALA 140 CO -0.02 -0.13 -0.06 -0.07 0.00 0.00 0.00 179.25 178.97 1xz2 h LEU 141 N 0.22 0.00 -0.08 0.00 3.38 -0.80 -2.17 115.31 115.86 1xz2 h LEU 141 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1xz2 h LEU 141 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1xz2 h LEU 141 CO -0.01 0.06 -0.50 0.00 0.09 0.00 0.00 178.44 178.08 1xz2 n ALA 142 N -2.32 3.58 -0.18 1.53 0.00 -0.61 -4.35 120.51 118.15 1xz2 n ALA 142 Ca -0.02 -0.38 0.03 0.00 0.00 0.00 0.00 53.44 53.06 1xz2 n ALA 142 Cb 0.15 -1.09 0.29 0.00 0.00 0.00 0.00 19.45 18.80 1xz2 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1xz2 h HIS 143 N 0.20 0.85 -0.39 0.00 6.17 -0.69 -2.68 115.15 118.60 1xz2 h HIS 143 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.10 1xz2 h HIS 143 Cb 0.50 -0.29 0.00 0.00 2.52 0.00 0.00 27.41 30.15 1xz2 h HIS 143 CO 0.00 0.51 0.00 1.63 0.71 0.00 0.00 177.93 180.78 1xz2 n LYS 144 N -4.45 2.06 -2.33 5.26 4.76 -1.26 -4.93 118.16 117.28 1xz2 n LYS 144 Ca 0.08 -1.48 -0.37 0.00 -2.87 0.00 0.00 58.31 53.68 1xz2 n LYS 144 Cb 0.09 -1.38 -0.02 0.00 -1.84 0.00 0.00 35.03 31.88 1xz2 n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1xz2 s TYR 145 N -1.52 2.98 0.00 2.13 2.02 -1.01 -4.76 117.35 117.19 1xz2 s TYR 145 Ca 0.27 1.56 0.00 0.00 -0.37 0.00 0.00 57.07 58.53 1xz2 s TYR 145 Cb 0.15 -3.31 0.00 0.00 -0.40 0.00 0.00 41.96 38.40 1xz2 s TYR 145 CO 0.17 -1.28 0.00 -2.39 -1.57 0.00 0.00 175.55 170.48