#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bz0 s HIS 2 N 0.00 3.03 -0.07 6.34 2.46 -1.26 -4.58 115.29 121.21 1bz0 s HIS 2 Ca 0.00 -0.92 0.04 0.00 0.47 0.00 0.00 55.06 54.65 1bz0 s HIS 2 Cb 0.00 -3.89 -0.02 0.00 -0.13 0.00 0.00 32.58 28.55 1bz0 s HIS 2 CO 0.00 -1.21 -0.19 -0.51 -2.47 0.00 0.00 174.74 170.35 1bz0 s LEU 3 N 2.55 2.39 0.94 8.88 1.43 -1.26 -5.10 118.68 128.50 1bz0 s LEU 3 Ca 0.11 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.71 1bz0 s LEU 3 Cb -0.24 -1.48 0.15 0.00 0.03 0.00 0.00 46.19 44.66 1bz0 s LEU 3 CO 0.07 0.25 1.09 0.42 0.23 0.00 0.00 176.35 178.41 1bz0 s THR 4 N -0.18 2.50 0.50 5.49 -4.23 -1.26 -4.70 115.64 113.75 1bz0 s THR 4 Ca -0.02 0.16 0.20 0.00 -1.18 0.00 0.00 61.69 60.85 1bz0 s THR 4 Cb -0.14 -2.49 0.35 0.00 1.34 0.00 0.00 72.50 71.56 1bz0 s THR 4 CO 0.03 -0.21 2.03 -0.65 -0.54 0.00 0.00 174.62 175.28 1bz0 h PRO 5 N -1.76 0.11 0.03 3.99 0.11 -2.00 -0.04 132.00 132.45 1bz0 h PRO 5 Ca -0.50 -0.01 -0.25 0.00 0.11 0.00 0.00 66.00 65.35 1bz0 h PRO 5 Cb 1.29 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 32.38 1bz0 h PRO 5 CO 0.51 0.07 -1.04 0.93 -0.21 0.00 0.00 178.00 178.26 1bz0 h GLU 6 N 0.11 0.48 -0.41 1.05 3.07 -1.99 -1.67 114.58 115.23 1bz0 h GLU 6 Ca 0.20 -0.57 -0.14 0.00 -0.50 0.00 0.00 59.36 58.35 1bz0 h GLU 6 Cb 0.65 0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.72 1bz0 h GLU 6 CO -0.02 1.21 -0.30 0.93 -1.40 0.00 0.00 179.01 179.42 1bz0 h GLU 7 N 0.25 0.92 -0.33 2.33 5.08 -1.58 -1.29 114.58 119.96 1bz0 h GLU 7 Ca -0.11 -0.45 -0.01 0.00 -1.00 0.00 0.00 59.36 57.79 1bz0 h GLU 7 Cb 1.70 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.93 1bz0 h GLU 7 CO 0.19 1.10 0.18 -0.22 -1.00 0.00 0.00 179.01 179.26 1bz0 h LYS 8 N 0.74 0.45 -0.15 2.33 1.63 -1.00 -2.04 116.57 118.54 1bz0 h LYS 8 Ca 0.08 -0.05 -0.09 0.00 -0.85 0.00 0.00 60.65 59.73 1bz0 h LYS 8 Cb 0.89 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.41 1bz0 h LYS 8 CO 0.08 0.38 -0.33 0.66 -3.45 0.00 0.00 179.45 176.80 1bz0 h SER 9 N 0.40 0.29 -0.61 4.20 4.64 -1.24 -0.96 113.55 120.27 1bz0 h SER 9 Ca 0.11 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.31 1bz0 h SER 9 Cb 0.06 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.04 1bz0 h SER 9 CO -0.02 0.61 0.29 0.00 -0.87 0.00 0.00 176.83 176.85 1bz0 h ALA 10 N 1.41 0.79 0.25 5.18 0.00 -0.83 0.16 119.26 126.22 1bz0 h ALA 10 Ca 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1bz0 h ALA 10 Cb 0.71 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1bz0 h ALA 10 CO 0.05 0.35 -0.12 0.28 0.00 0.00 0.00 179.25 179.82 1bz0 h VAL 11 N 0.84 0.80 -0.20 0.00 2.07 -1.10 -2.55 116.25 116.11 1bz0 h VAL 11 Ca 0.21 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 1bz0 h VAL 11 Cb 0.12 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1bz0 h VAL 11 CO -0.03 0.08 0.11 0.74 0.02 0.00 0.00 177.57 178.49 1bz0 h THR 12 N -0.53 1.10 -0.33 2.57 2.02 -1.09 -1.93 112.91 114.73 1bz0 h THR 12 Ca -0.03 -0.28 0.05 0.00 0.77 0.00 0.00 66.41 66.92 1bz0 h THR 12 Cb 0.39 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 1bz0 h THR 12 CO 0.06 0.10 0.07 0.00 0.37 0.00 0.00 175.52 176.11 1bz0 h ALA 13 N 1.00 0.35 -0.43 6.16 0.00 -0.97 -2.54 119.26 122.83 1bz0 h ALA 13 Ca 0.07 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1bz0 h ALA 13 Cb 0.06 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1bz0 h ALA 13 CO -0.01 -0.34 -0.13 1.25 0.00 0.00 0.00 179.25 180.02 1bz0 h LEU 14 N 0.18 0.86 -2.05 0.00 6.46 -1.38 -3.10 115.31 116.29 1bz0 h LEU 14 Ca 0.15 -0.37 -0.01 0.00 -0.12 0.00 0.00 57.88 57.52 1bz0 h LEU 14 Cb 0.17 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 39.86 1bz0 h LEU 14 CO -0.20 1.04 -0.07 -0.25 -0.62 0.00 0.00 178.44 178.34 1bz0 h TRP 15 N 0.68 0.00 0.00 1.25 2.91 -1.03 -1.84 115.95 117.92 1bz0 h TRP 15 Ca 0.11 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.12 1bz0 h TRP 15 Cb 0.68 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.33 1bz0 h TRP 15 CO 0.05 0.07 -0.04 0.78 -1.03 0.00 0.00 178.44 178.27 1bz0 h GLY 16 N 0.31 0.00 -0.41 2.65 0.00 -1.38 -1.84 103.07 102.40 1bz0 h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1bz0 h GLY 16 CO 0.01 0.00 -0.44 0.28 0.00 0.00 0.00 176.54 176.39 1bz0 n LYS 17 N -3.44 0.95 -2.78 4.80 5.02 -0.69 -4.94 118.16 117.07 1bz0 n LYS 17 Ca -0.02 -0.71 -0.42 0.00 -2.02 0.00 0.00 58.31 55.14 1bz0 n LYS 17 Cb 0.17 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.66 1bz0 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1bz0 s VAL 18 N -2.54 4.90 -0.64 -0.18 1.01 -0.69 -4.99 120.40 117.26 1bz0 s VAL 18 Ca 0.20 1.93 -0.22 0.00 0.00 0.00 0.00 61.98 63.88 1bz0 s VAL 18 Cb 0.18 -4.26 0.07 0.00 0.00 0.00 0.00 36.38 32.38 1bz0 s VAL 18 CO 0.58 0.17 0.92 0.21 0.00 0.00 0.00 175.10 176.98 1bz0 s ASN 19 N 0.97 6.18 0.35 3.32 3.84 -1.26 -4.93 114.94 123.41 1bz0 s ASN 19 Ca 0.49 -1.03 0.05 0.00 0.21 0.00 0.00 52.86 52.58 1bz0 s ASN 19 Cb -0.20 -2.40 0.72 0.00 -0.55 0.00 0.00 41.25 38.82 1bz0 s ASN 19 CO 0.26 -1.38 1.95 0.58 -2.79 0.00 0.00 177.10 175.71 1bz0 h VAL 20 N 5.97 1.01 0.40 -5.21 2.07 -1.95 -0.74 116.25 117.80 1bz0 h VAL 20 Ca -0.29 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1bz0 h VAL 20 Cb 1.07 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1bz0 h VAL 20 CO 1.16 0.14 -0.33 0.44 0.02 0.00 0.00 177.57 179.01 1bz0 h ASP 21 N 0.79 -0.87 0.07 0.57 3.32 -1.91 0.97 116.42 119.35 1bz0 h ASP 21 Ca 0.33 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.45 1bz0 h ASP 21 Cb 0.28 0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1bz0 h ASP 21 CO -0.12 -0.48 -0.03 -0.33 -1.72 0.00 0.00 179.24 176.56 1bz0 h GLU 22 N -0.73 -0.09 -0.50 3.56 5.08 -1.88 -2.41 114.58 117.60 1bz0 h GLU 22 Ca -0.03 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 1bz0 h GLU 22 Cb 0.64 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1bz0 h GLU 22 CO -0.02 0.08 -0.12 0.28 -1.00 0.00 0.00 179.01 178.24 1bz0 h VAL 23 N -0.25 1.27 -0.21 3.13 2.07 -1.15 -2.34 116.25 118.78 1bz0 h VAL 23 Ca -0.01 -1.25 0.02 0.00 0.82 0.00 0.00 66.70 66.28 1bz0 h VAL 23 Cb 0.21 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1bz0 h VAL 23 CO 0.02 0.44 0.08 1.23 0.02 0.00 0.00 177.57 179.36 1bz0 h GLY 24 N 0.95 0.26 1.00 2.17 0.00 -0.78 0.89 103.07 107.57 1bz0 h GLY 24 Ca 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1bz0 h GLY 24 CO 0.05 0.04 0.35 -1.33 0.00 0.00 0.00 176.54 175.65 1bz0 h GLY 25 N 0.19 1.01 0.85 4.60 0.00 -1.39 -1.23 103.07 107.09 1bz0 h GLY 25 Ca 0.09 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 1bz0 h GLY 25 CO -0.08 0.45 -0.00 0.83 0.00 0.00 0.00 176.54 177.74 1bz0 h GLU 26 N 0.92 0.44 0.21 4.80 4.39 -1.09 -0.96 114.58 123.28 1bz0 h GLU 26 Ca 0.23 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 1bz0 h GLU 26 Cb 0.07 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1bz0 h GLU 26 CO -0.03 0.61 -0.10 0.00 -1.16 0.00 0.00 179.01 178.33 1bz0 h ALA 27 N 0.81 -0.28 -0.68 3.43 0.00 -0.71 0.06 119.26 121.89 1bz0 h ALA 27 Ca 0.07 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1bz0 h ALA 27 Cb 0.42 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1bz0 h ALA 27 CO 0.01 -0.63 0.25 1.25 0.00 0.00 0.00 179.25 180.14 1bz0 h LEU 28 N -0.33 0.96 -0.47 0.00 5.85 -1.26 -1.30 115.31 118.76 1bz0 h LEU 28 Ca -0.03 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 1bz0 h LEU 28 Cb 0.25 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1bz0 h LEU 28 CO 0.05 0.88 0.24 1.23 -0.34 0.00 0.00 178.44 180.50 1bz0 h GLY 29 N 0.98 0.71 1.49 3.75 0.00 -1.03 -2.32 103.07 106.64 1bz0 h GLY 29 Ca 0.23 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 1bz0 h GLY 29 CO -0.02 0.32 -0.03 3.21 0.00 0.00 0.00 176.54 180.02 1bz0 h ARG 30 N 0.62 0.63 -0.38 4.80 3.08 -0.84 -1.55 114.38 120.73 1bz0 h ARG 30 Ca 0.16 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 60.06 1bz0 h ARG 30 Cb 0.08 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1bz0 h ARG 30 CO -0.02 0.67 0.24 1.25 -1.07 0.00 0.00 179.97 181.04 1bz0 h LEU 31 N 0.59 0.41 -1.37 3.04 5.85 -0.75 0.68 115.31 123.76 1bz0 h LEU 31 Ca 0.12 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 1bz0 h LEU 31 Cb 0.42 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1bz0 h LEU 31 CO 0.02 0.30 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.08 1bz0 h LEU 32 N 0.50 0.00 0.05 2.25 4.07 -1.03 -1.49 115.31 119.66 1bz0 h LEU 32 Ca 0.14 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.96 1bz0 h LEU 32 Cb -0.04 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 1bz0 h LEU 32 CO -0.04 0.26 -0.76 0.58 -1.08 0.00 0.00 178.44 177.40 1bz0 h VAL 33 N 0.00 1.36 -0.07 1.22 2.07 -0.79 -3.28 116.25 116.76 1bz0 h VAL 33 Ca -0.00 -2.34 -0.19 0.00 0.82 0.00 0.00 66.70 64.98 1bz0 h VAL 33 Cb 0.63 2.91 -0.00 0.00 -1.52 0.00 0.00 31.29 33.31 1bz0 h VAL 33 CO 0.03 0.57 -0.76 0.58 0.02 0.00 0.00 177.57 178.01 1bz0 h VAL 34 N -0.76 1.38 -2.58 2.57 2.07 -0.90 -3.36 116.25 114.68 1bz0 h VAL 34 Ca -0.18 -2.19 -0.60 0.00 0.82 0.00 0.00 66.70 64.55 1bz0 h VAL 34 Cb 1.34 2.16 -0.40 0.00 -1.52 0.00 0.00 31.29 32.87 1bz0 h VAL 34 CO -0.02 0.66 -0.77 -1.22 0.02 0.00 0.00 177.57 176.24 1bz0 n TYR 35 N -3.82 1.55 0.33 1.57 4.01 -0.56 -4.99 117.16 115.24 1bz0 n TYR 35 Ca -0.05 -3.88 0.21 0.00 -0.16 0.00 0.00 57.90 54.03 1bz0 n TYR 35 Cb 0.73 -0.30 1.13 0.00 -0.31 0.00 0.00 39.34 40.59 1bz0 n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1bz0 h PRO 36 N 5.09 0.00 0.00 -0.72 0.13 -1.72 -1.11 132.00 133.67 1bz0 h PRO 36 Ca 0.19 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.31 1bz0 h PRO 36 Cb 0.80 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 1bz0 h PRO 36 CO 0.60 0.00 -0.03 0.11 -0.23 0.00 0.00 178.00 178.45 1bz0 h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -0.83 115.95 114.86 1bz0 h TRP 37 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1bz0 h TRP 37 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.28 1bz0 h TRP 37 CO 0.00 0.03 0.00 1.79 0.09 0.00 0.00 178.44 180.35 1bz0 h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.51 -2.63 112.91 110.24 1bz0 h THR 38 Ca -0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 1bz0 h THR 38 Cb 0.15 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.39 1bz0 h THR 38 CO 0.00 0.00 0.00 1.56 -0.25 0.00 0.00 175.52 176.83 1bz0 h GLN 39 N 0.00 0.00 -0.03 4.72 4.20 -1.35 -3.10 115.11 119.56 1bz0 h GLN 39 Ca 0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1bz0 h GLN 39 Cb 0.19 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 1bz0 h GLN 39 CO 0.00 0.00 0.18 0.07 -0.67 0.00 0.00 178.83 178.41 1bz0 h ARG 40 N 0.00 0.00 -0.01 1.46 0.11 -1.68 -0.69 114.38 113.56 1bz0 h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1bz0 h ARG 40 Cb 0.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.27 1bz0 h ARG 40 CO 0.00 0.00 -0.12 1.19 0.10 0.00 0.00 179.97 181.14 1bz0 n PHE 41 N -3.10 0.00 -2.35 4.08 3.72 -1.17 -4.44 117.46 114.20 1bz0 n PHE 41 Ca -0.02 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.33 1bz0 n PHE 41 Cb 0.24 -0.04 0.06 0.00 -0.94 0.00 0.00 39.48 38.81 1bz0 n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1bz0 n PHE 42 N 0.08 1.24 -0.13 1.38 3.72 -0.27 -4.86 117.46 118.62 1bz0 n PHE 42 Ca 0.15 -1.74 0.16 0.00 -0.05 0.00 0.00 57.45 55.98 1bz0 n PHE 42 Cb 0.40 -0.25 0.54 0.00 -0.94 0.00 0.00 39.48 39.23 1bz0 n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1bz0 h GLU 43 N 1.92 0.32 -0.21 -1.08 4.39 -1.78 -1.94 114.58 116.21 1bz0 h GLU 43 Ca 0.01 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1bz0 h GLU 43 Cb 1.43 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 1bz0 h GLU 43 CO 0.30 0.21 0.00 -1.13 -1.16 0.00 0.00 179.01 177.24 1bz0 n SER 44 N -4.46 1.34 -0.07 1.42 3.41 -1.26 -4.20 113.62 109.80 1bz0 n SER 44 Ca 0.13 -1.87 0.14 0.00 -0.26 0.00 0.00 58.87 57.01 1bz0 n SER 44 Cb 0.54 -0.14 0.55 0.00 -0.26 0.00 0.00 64.21 64.90 1bz0 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1bz0 n PHE 45 N 0.19 0.00 0.00 7.33 3.01 -0.73 -5.04 117.46 122.22 1bz0 n PHE 45 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.57 1bz0 n PHE 45 Cb 0.23 -0.26 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 1bz0 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1bz0 n GLY 46 N 1.36 0.20 3.65 1.37 0.00 -1.26 -4.64 105.19 105.86 1bz0 n GLY 46 Ca 0.11 -1.84 -0.43 0.00 0.00 0.00 0.00 46.02 43.86 1bz0 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bz0 s ASP 47 N -4.00 6.83 -0.07 1.61 2.15 -1.26 -4.87 116.67 117.07 1bz0 s ASP 47 Ca 0.00 1.48 0.10 0.00 0.43 0.00 0.00 52.55 54.56 1bz0 s ASP 47 Cb 0.00 -2.54 0.16 0.00 -0.30 0.00 0.00 42.92 40.24 1bz0 s ASP 47 CO 0.00 -0.89 1.08 0.18 -0.17 0.00 0.00 175.17 175.37 1bz0 n LEU 48 N 7.04 1.22 -0.18 -1.34 4.77 -1.26 -4.06 117.00 123.18 1bz0 n LEU 48 Ca 0.14 -2.10 -0.10 0.00 -0.03 0.00 0.00 56.01 53.92 1bz0 n LEU 48 Cb 0.46 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.34 1bz0 n LEU 48 CO 0.59 0.51 0.75 0.77 -1.33 0.00 0.00 177.39 178.67 1bz0 h SER 49 N 0.06 1.00 -2.71 -1.43 4.64 -1.92 -3.43 113.55 109.77 1bz0 h SER 49 Ca -0.01 -0.35 -0.52 0.00 -0.47 0.00 0.00 61.79 60.44 1bz0 h SER 49 Cb 1.22 -0.27 -0.14 0.00 -0.31 0.00 0.00 62.40 62.89 1bz0 h SER 49 CO 0.00 1.12 -0.69 0.42 -0.87 0.00 0.00 176.83 176.81 1bz0 s THR 50 N -4.86 1.85 0.30 2.95 -4.23 -1.26 -5.02 115.64 105.37 1bz0 s THR 50 Ca -0.12 -2.18 -0.01 0.00 -1.18 0.00 0.00 61.69 58.20 1bz0 s THR 50 Cb 0.13 -2.42 0.27 0.00 1.34 0.00 0.00 72.50 71.81 1bz0 s THR 50 CO 0.86 -0.33 1.95 -0.65 -0.54 0.00 0.00 174.62 175.91 1bz0 h PRO 51 N 2.26 1.06 -0.39 3.99 0.11 -1.98 0.17 132.00 137.22 1bz0 h PRO 51 Ca -0.40 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 1bz0 h PRO 51 Cb 1.24 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1bz0 h PRO 51 CO 0.66 0.70 -0.01 -0.44 -0.21 0.00 0.00 178.00 178.71 1bz0 h ASP 52 N 1.09 0.69 0.18 -2.05 3.32 -1.98 0.60 116.42 118.26 1bz0 h ASP 52 Ca 0.33 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1bz0 h ASP 52 Cb -0.02 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.34 1bz0 h ASP 52 CO -0.09 0.83 -0.08 0.00 -1.72 0.00 0.00 179.24 178.18 1bz0 h ALA 53 N 0.88 -0.24 -0.07 3.45 0.00 -1.68 -2.12 119.26 119.47 1bz0 h ALA 53 Ca 0.11 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1bz0 h ALA 53 Cb 0.49 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1bz0 h ALA 53 CO 0.02 -0.61 -0.07 0.28 0.00 0.00 0.00 179.25 178.88 1bz0 h VAL 54 N -0.29 0.80 -0.31 0.00 2.07 -0.55 -2.40 116.25 115.56 1bz0 h VAL 54 Ca -0.02 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 1bz0 h VAL 54 Cb 0.23 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1bz0 h VAL 54 CO 0.04 0.00 -0.08 0.24 0.02 0.00 0.00 177.57 177.79 1bz0 h MET 55 N -0.08 0.51 -0.39 1.57 2.07 -0.87 -2.69 114.93 115.05 1bz0 h MET 55 Ca 0.05 -0.13 0.00 0.00 -2.07 0.00 0.00 59.70 57.55 1bz0 h MET 55 Cb 0.16 -0.06 0.00 0.00 -1.87 0.00 0.00 31.60 29.83 1bz0 h MET 55 CO -0.13 0.60 0.00 0.41 1.07 0.00 0.00 176.91 178.86 1bz0 n GLY 56 N -0.73 1.40 3.69 8.32 0.00 -0.80 -4.88 105.19 112.19 1bz0 n GLY 56 Ca 0.01 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1bz0 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bz0 s ASN 57 N -1.39 6.83 0.34 1.61 3.84 -0.91 -4.89 114.94 120.37 1bz0 s ASN 57 Ca 0.37 2.13 0.11 0.00 0.21 0.00 0.00 52.86 55.68 1bz0 s ASN 57 Cb 0.21 -2.56 0.61 0.00 -0.55 0.00 0.00 41.25 38.96 1bz0 s ASN 57 CO 0.29 -0.74 1.77 1.55 -2.79 0.00 0.00 177.10 177.18 1bz0 h PRO 58 N 7.97 0.07 -0.12 0.43 0.13 -1.91 -2.11 132.00 136.45 1bz0 h PRO 58 Ca -0.38 -0.03 -0.13 0.00 -0.87 0.00 0.00 66.00 64.60 1bz0 h PRO 58 Cb 1.18 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1bz0 h PRO 58 CO 0.91 0.46 -0.47 0.87 -0.23 0.00 0.00 178.00 179.54 1bz0 h LYS 59 N 0.06 0.31 0.12 0.86 6.56 -1.90 -1.28 116.57 121.29 1bz0 h LYS 59 Ca 0.00 -0.17 -0.01 0.00 -1.06 0.00 0.00 60.65 59.42 1bz0 h LYS 59 Cb 0.75 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.41 1bz0 h LYS 59 CO 0.06 0.72 -0.06 0.28 -2.06 0.00 0.00 179.45 178.39 1bz0 h VAL 60 N 0.25 0.97 -0.69 0.50 2.07 -1.78 -1.43 116.25 116.13 1bz0 h VAL 60 Ca 0.01 -0.34 0.03 0.00 0.82 0.00 0.00 66.70 67.22 1bz0 h VAL 60 Cb 0.93 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 1bz0 h VAL 60 CO 0.08 0.08 0.43 0.11 0.02 0.00 0.00 177.57 178.29 1bz0 h LYS 61 N -0.32 0.81 -0.29 1.57 1.57 -1.34 0.11 116.57 118.68 1bz0 h LYS 61 Ca -0.02 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1bz0 h LYS 61 Cb 0.26 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1bz0 h LYS 61 CO 0.03 0.54 0.17 0.00 -0.57 0.00 0.00 179.45 179.61 1bz0 h ALA 62 N 1.30 0.36 -0.41 3.86 0.00 -1.18 -1.53 119.26 121.67 1bz0 h ALA 62 Ca 0.28 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1bz0 h ALA 62 Cb 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1bz0 h ALA 62 CO -0.12 -0.12 0.02 1.25 0.00 0.00 0.00 179.25 180.28 1bz0 h HIS 63 N 0.36 0.77 -0.73 0.00 -0.00 -1.01 -2.26 115.15 112.27 1bz0 h HIS 63 Ca 0.10 -0.12 0.13 0.00 -0.00 0.00 0.00 60.37 60.48 1bz0 h HIS 63 Cb 0.03 -0.20 -0.09 0.00 -0.00 0.00 0.00 27.41 27.15 1bz0 h HIS 63 CO -0.04 0.77 0.29 0.78 -0.00 0.00 0.00 177.93 179.73 1bz0 h GLY 64 N 0.55 1.10 1.11 5.26 0.00 -0.64 0.76 103.07 111.21 1bz0 h GLY 64 Ca 0.12 -0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 1bz0 h GLY 64 CO 0.02 -0.08 0.24 1.70 0.00 0.00 0.00 176.54 178.42 1bz0 h LYS 65 N 0.45 1.12 -0.01 4.80 3.64 -0.96 -1.58 116.57 124.03 1bz0 h LYS 65 Ca 0.40 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1bz0 h LYS 65 Cb 0.57 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1bz0 h LYS 65 CO -0.38 0.94 0.00 0.87 -2.27 0.00 0.00 179.45 178.62 1bz0 h LYS 66 N 1.08 0.02 -0.04 1.90 1.57 -0.67 -1.30 116.57 119.13 1bz0 h LYS 66 Ca 0.24 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1bz0 h LYS 66 Cb 0.28 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1bz0 h LYS 66 CO -0.01 0.24 -0.02 0.28 -0.57 0.00 0.00 179.45 179.36 1bz0 h VAL 67 N -0.21 0.93 0.00 0.50 2.07 -0.78 -1.87 116.25 116.90 1bz0 h VAL 67 Ca 0.00 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.42 1bz0 h VAL 67 Cb 0.23 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1bz0 h VAL 67 CO 0.00 0.00 -0.50 -0.07 0.02 0.00 0.00 177.57 177.02 1bz0 h LEU 68 N -0.02 0.00 -0.72 2.57 3.38 -1.31 -0.57 115.31 118.64 1bz0 h LEU 68 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1bz0 h LEU 68 Cb 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1bz0 h LEU 68 CO -0.05 0.50 0.35 1.23 0.09 0.00 0.00 178.44 180.57 1bz0 h GLY 69 N 1.52 1.10 1.23 0.83 0.00 -1.08 0.46 103.07 107.12 1bz0 h GLY 69 Ca -0.01 -0.54 -0.13 0.00 0.00 0.00 0.00 47.33 46.66 1bz0 h GLY 69 CO 0.07 0.51 -0.24 0.00 0.00 0.00 0.00 176.54 176.88 1bz0 h ALA 70 N 1.17 0.77 -0.72 3.60 0.00 -0.88 -2.35 119.26 120.85 1bz0 h ALA 70 Ca 0.25 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1bz0 h ALA 70 Cb 0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1bz0 h ALA 70 CO -0.03 0.66 0.47 0.35 0.00 0.00 0.00 179.25 180.69 1bz0 h PHE 71 N 0.76 0.88 -0.88 0.00 3.04 -0.74 -2.41 116.94 117.59 1bz0 h PHE 71 Ca 0.10 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.08 1bz0 h PHE 71 Cb 0.79 -0.29 -0.04 0.00 2.56 0.00 0.00 35.95 38.96 1bz0 h PHE 71 CO 0.05 0.53 0.59 0.77 -2.02 0.00 0.00 178.31 178.22 1bz0 h SER 72 N 0.93 1.01 -0.91 0.41 0.02 0.43 -2.04 113.55 113.40 1bz0 h SER 72 Ca 0.28 -0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.25 1bz0 h SER 72 Cb -0.05 -0.25 -0.06 0.00 0.14 0.00 0.00 62.40 62.18 1bz0 h SER 72 CO -0.08 0.73 0.59 0.44 -1.14 0.00 0.00 176.83 177.37 1bz0 h ASP 73 N 1.19 0.94 1.23 3.07 3.32 -1.04 -1.39 116.42 123.74 1bz0 h ASP 73 Ca 0.33 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.37 1bz0 h ASP 73 Cb -0.13 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.22 1bz0 h ASP 73 CO -0.07 0.62 -0.01 1.23 -1.72 0.00 0.00 179.24 179.29 1bz0 h GLY 74 N 1.08 0.00 2.00 2.75 0.00 -1.14 -2.62 103.07 105.14 1bz0 h GLY 74 Ca 0.38 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.67 1bz0 h GLY 74 CO -0.13 0.00 -0.20 1.41 0.00 0.00 0.00 176.54 177.61 1bz0 h LEU 75 N 0.00 0.00 -0.09 3.11 4.07 -1.13 -1.63 115.31 119.64 1bz0 h LEU 75 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1bz0 h LEU 75 Cb 0.63 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.37 1bz0 h LEU 75 CO 0.00 0.20 0.00 0.00 -1.08 0.00 0.00 178.44 177.57 1bz0 h ALA 76 N 1.80 1.00 -1.06 1.53 0.00 -1.48 -3.34 119.26 117.70 1bz0 h ALA 76 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.50 1bz0 h ALA 76 Cb 0.51 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.89 1bz0 h ALA 76 CO 0.03 0.00 -1.06 0.72 0.00 0.00 0.00 179.25 178.93 1bz0 n HIS 77 N -2.44 1.78 0.26 0.00 8.25 -0.64 -4.90 115.22 117.53 1bz0 n HIS 77 Ca 0.05 -2.79 0.18 0.00 -0.26 0.00 0.00 57.72 54.90 1bz0 n HIS 77 Cb 0.43 -0.29 0.92 0.00 1.12 0.00 0.00 29.99 32.18 1bz0 n HIS 77 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1bz0 h LEU 78 N 2.83 0.00 0.00 2.41 5.85 -1.63 0.11 115.31 124.87 1bz0 h LEU 78 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1bz0 h LEU 78 Cb 1.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1bz0 h LEU 78 CO 0.57 0.00 -0.34 -0.90 -0.34 0.00 0.00 178.44 177.42 1bz0 n ASP 79 N -3.55 0.62 -3.12 1.25 5.75 -1.26 0.13 116.55 116.37 1bz0 n ASP 79 Ca -0.01 0.26 -0.18 0.00 -0.01 0.00 0.00 54.79 54.85 1bz0 n ASP 79 Cb 0.24 -0.20 -0.02 0.00 -1.03 0.00 0.00 41.12 40.11 1bz0 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1bz0 n ASN 80 N -2.00 0.18 -0.12 -1.12 5.15 0.37 -4.52 115.26 113.20 1bz0 n ASN 80 Ca 0.05 -3.05 -0.10 0.00 -0.60 0.00 0.00 54.58 50.88 1bz0 n ASN 80 Cb 0.41 -0.22 -0.02 0.00 -0.53 0.00 0.00 39.78 39.42 1bz0 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1bz0 h LEU 81 N 3.23 0.54 -0.66 1.20 3.38 -1.73 -0.83 115.31 120.44 1bz0 h LEU 81 Ca 0.06 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.86 1bz0 h LEU 81 Cb 0.97 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 1bz0 h LEU 81 CO 0.44 0.62 0.37 0.11 0.09 0.00 0.00 178.44 180.07 1bz0 h LYS 82 N 0.44 0.67 -0.41 1.13 1.57 -1.90 -1.00 116.57 117.06 1bz0 h LYS 82 Ca 0.11 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.71 1bz0 h LYS 82 Cb 0.29 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1bz0 h LYS 82 CO -0.00 0.44 -0.32 0.78 -0.57 0.00 0.00 179.45 179.78 1bz0 h GLY 83 N 0.69 1.00 1.00 3.86 0.00 -1.92 -1.63 103.07 106.08 1bz0 h GLY 83 Ca 0.29 -0.96 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 1bz0 h GLY 83 CO -0.17 0.87 0.37 -0.84 0.00 0.00 0.00 176.54 176.77 1bz0 h THR 84 N 0.77 1.21 -0.38 4.70 2.02 -0.71 -3.22 112.91 117.30 1bz0 h THR 84 Ca 0.08 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1bz0 h THR 84 Cb 0.90 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1bz0 h THR 84 CO 0.08 0.23 0.00 0.49 0.37 0.00 0.00 175.52 176.69 1bz0 n PHE 85 N -4.51 0.49 -0.11 3.16 3.72 -0.42 -4.67 117.46 115.12 1bz0 n PHE 85 Ca 0.05 -0.25 -0.05 0.00 -0.05 0.00 0.00 57.45 57.16 1bz0 n PHE 85 Cb 0.09 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.65 1bz0 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bz0 h ALA 86 N 4.46 0.28 -0.17 4.37 0.00 -1.31 0.50 119.26 127.40 1bz0 h ALA 86 Ca 0.00 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1bz0 h ALA 86 Cb 0.93 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1bz0 h ALA 86 CO 0.00 -0.44 0.10 1.15 0.00 0.00 0.00 179.25 180.06 1bz0 h THR 87 N 0.03 1.09 -0.21 0.00 2.02 -1.85 -1.69 112.91 112.30 1bz0 h THR 87 Ca 0.19 -0.23 -0.05 0.00 0.77 0.00 0.00 66.41 67.08 1bz0 h THR 87 Cb 0.28 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1bz0 h THR 87 CO -0.37 0.08 -0.11 -0.07 0.37 0.00 0.00 175.52 175.42 1bz0 h LEU 88 N 0.18 0.32 0.09 2.58 3.38 -1.77 -1.64 115.31 118.45 1bz0 h LEU 88 Ca 0.06 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1bz0 h LEU 88 Cb 0.05 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1bz0 h LEU 88 CO -0.01 0.46 -0.04 -1.28 0.09 0.00 0.00 178.44 177.66 1bz0 h SER 89 N 0.32 -0.10 -0.92 -0.43 0.87 0.52 -0.40 113.55 113.40 1bz0 h SER 89 Ca 0.06 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1bz0 h SER 89 Cb 0.40 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.34 1bz0 h SER 89 CO 0.02 -0.07 0.57 -0.33 -0.53 0.00 0.00 176.83 176.49 1bz0 h GLU 90 N -0.13 1.23 -0.18 2.24 5.08 -1.15 -1.60 114.58 120.07 1bz0 h GLU 90 Ca -0.01 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1bz0 h GLU 90 Cb 0.10 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1bz0 h GLU 90 CO 0.02 0.85 0.07 1.25 -1.00 0.00 0.00 179.01 180.20 1bz0 h LEU 91 N 1.26 0.10 -1.31 1.33 5.85 -1.09 0.20 115.31 121.64 1bz0 h LEU 91 Ca 0.33 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.99 1bz0 h LEU 91 Cb -0.08 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1bz0 h LEU 91 CO -0.07 0.08 -0.34 0.45 -0.34 0.00 0.00 178.44 178.23 1bz0 h HIS 92 N 0.17 0.00 0.05 1.25 3.86 -0.82 -0.17 115.15 119.50 1bz0 h HIS 92 Ca 0.08 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1bz0 h HIS 92 Cb 0.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 1bz0 h HIS 92 CO -0.10 0.34 -0.03 0.00 0.86 0.00 0.00 177.93 179.00 1bz0 h ASP 94 N -1.01 0.94 0.03 0.00 3.32 -0.66 -3.02 116.42 116.01 1bz0 h ASP 94 Ca -0.01 -0.63 -0.39 0.00 0.02 0.00 0.00 57.03 56.03 1bz0 h ASP 94 Cb 0.14 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.35 1bz0 h ASP 94 CO 0.01 1.43 -2.33 0.29 -1.72 0.00 0.00 179.24 176.92 1bz0 n LYS 95 N -3.93 0.66 0.09 3.56 4.76 -0.41 -4.66 118.16 118.22 1bz0 n LYS 95 Ca -0.08 0.21 0.10 0.00 -2.87 0.00 0.00 58.31 55.68 1bz0 n LYS 95 Cb 0.76 -1.57 -0.03 0.00 -1.84 0.00 0.00 35.03 32.35 1bz0 n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1bz0 n LEU 96 N -3.53 0.77 -3.72 -0.35 4.77 -0.21 -4.99 117.00 109.74 1bz0 n LEU 96 Ca -0.44 0.30 -0.26 0.00 -0.03 0.00 0.00 56.01 55.59 1bz0 n LEU 96 Cb 0.97 -0.04 0.05 0.00 -2.33 0.00 0.00 43.42 42.08 1bz0 n LEU 96 CO 0.25 -0.13 0.14 1.41 -1.33 0.00 0.00 177.39 177.73 1bz0 n HIS 97 N -2.66 -2.48 -3.17 -1.77 8.25 -0.16 -4.96 115.22 108.26 1bz0 n HIS 97 Ca -0.02 0.95 -0.40 0.00 -0.26 0.00 0.00 57.72 57.99 1bz0 n HIS 97 Cb 0.59 -4.55 -0.07 0.00 1.12 0.00 0.00 29.99 27.08 1bz0 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1bz0 s VAL 98 N -3.36 5.04 0.12 1.59 1.01 -0.68 -5.03 120.40 119.09 1bz0 s VAL 98 Ca 0.50 1.04 -0.32 0.00 0.00 0.00 0.00 61.98 63.20 1bz0 s VAL 98 Cb -0.24 -3.89 -0.11 0.00 0.00 0.00 0.00 36.38 32.14 1bz0 s VAL 98 CO 0.78 0.09 1.81 -0.67 0.00 0.00 0.00 175.10 177.10 1bz0 n ASP 99 N 5.37 3.92 0.12 3.32 -0.08 -1.26 -4.79 116.55 123.15 1bz0 n ASP 99 Ca -0.02 1.00 0.09 0.00 -1.51 0.00 0.00 54.79 54.35 1bz0 n ASP 99 Cb 0.50 -1.53 0.46 0.00 2.34 0.00 0.00 41.12 42.88 1bz0 n ASP 99 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1bz0 n PRO 100 N 5.31 0.12 0.25 -0.67 -0.02 -1.26 -1.44 135.00 137.29 1bz0 n PRO 100 Ca 0.18 0.57 0.13 0.00 -2.02 0.00 0.00 63.50 62.36 1bz0 n PRO 100 Cb 0.36 -1.85 0.78 0.00 -0.02 0.00 0.00 33.50 32.77 1bz0 n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1bz0 h GLU 101 N 0.00 0.00 -0.18 -0.52 4.57 -1.98 -0.42 114.58 116.05 1bz0 h GLU 101 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1bz0 h GLU 101 Cb 0.06 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 1bz0 h GLU 101 CO 0.00 0.00 -0.00 -0.91 -1.18 0.00 0.00 179.01 176.92 1bz0 h ASN 102 N 0.00 0.24 -0.46 1.04 4.21 -1.62 -1.80 115.58 117.19 1bz0 h ASN 102 Ca 0.03 -0.03 -0.08 0.00 1.21 0.00 0.00 56.30 57.43 1bz0 h ASN 102 Cb 0.14 -0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 37.26 1bz0 h ASN 102 CO -0.00 0.29 -0.01 -0.26 -1.29 0.00 0.00 177.43 176.16 1bz0 h PHE 103 N 0.26 0.94 -0.30 1.19 0.04 -1.26 -1.32 116.94 116.49 1bz0 h PHE 103 Ca 0.06 -0.14 -0.05 0.00 2.80 0.00 0.00 57.97 60.63 1bz0 h PHE 103 Cb 0.19 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 1bz0 h PHE 103 CO 0.00 0.86 -0.02 0.00 -0.60 0.00 0.00 178.31 178.55 1bz0 h ARG 104 N 0.81 0.55 -0.47 1.51 3.08 -1.41 -1.68 114.38 116.77 1bz0 h ARG 104 Ca 0.15 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1bz0 h ARG 104 Cb 0.49 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 1bz0 h ARG 104 CO 0.02 0.71 0.20 -0.07 -1.07 0.00 0.00 179.97 179.76 1bz0 h LEU 105 N 0.33 0.64 -0.71 3.04 3.38 -1.20 -2.01 115.31 118.78 1bz0 h LEU 105 Ca 0.08 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1bz0 h LEU 105 Cb 0.48 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1bz0 h LEU 105 CO 0.02 0.63 0.46 0.25 0.09 0.00 0.00 178.44 179.88 1bz0 h LEU 106 N 0.62 0.83 -0.55 1.67 5.85 -1.21 -0.83 115.31 121.69 1bz0 h LEU 106 Ca 0.16 -0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.93 1bz0 h LEU 106 Cb 0.18 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 40.93 1bz0 h LEU 106 CO -0.01 0.62 0.15 1.23 -0.34 0.00 0.00 178.44 180.09 1bz0 h GLY 107 N 0.97 0.72 0.93 3.75 0.00 -0.95 0.24 103.07 108.73 1bz0 h GLY 107 Ca 0.26 -0.06 -0.10 0.00 0.00 0.00 0.00 47.33 47.43 1bz0 h GLY 107 CO -0.05 -0.05 -0.20 3.43 0.00 0.00 0.00 176.54 179.67 1bz0 h ASN 108 N 0.31 0.68 -0.66 0.19 2.35 -0.94 -2.35 115.58 115.16 1bz0 h ASN 108 Ca 0.28 -0.44 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 1bz0 h ASN 108 Cb 0.36 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 1bz0 h ASN 108 CO -0.32 0.97 0.38 0.58 -1.65 0.00 0.00 177.43 177.39 1bz0 h VAL 109 N 0.40 1.20 -0.65 2.81 2.07 -0.78 -2.19 116.25 119.12 1bz0 h VAL 109 Ca 0.06 -0.48 0.07 0.00 0.82 0.00 0.00 66.70 67.17 1bz0 h VAL 109 Cb 0.74 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 1bz0 h VAL 109 CO 0.05 0.21 0.33 0.25 0.02 0.00 0.00 177.57 178.44 1bz0 h LEU 110 N 0.90 0.46 -0.46 2.57 5.85 -0.33 -0.43 115.31 123.88 1bz0 h LEU 110 Ca 0.24 0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.03 1bz0 h LEU 110 Cb 0.01 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1bz0 h LEU 110 CO -0.04 0.29 0.25 0.58 -0.34 0.00 0.00 178.44 179.18 1bz0 h VAL 111 N 0.61 0.99 -0.88 1.05 2.07 -1.03 -0.54 116.25 118.51 1bz0 h VAL 111 Ca 0.30 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.69 1bz0 h VAL 111 Cb 0.25 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 1bz0 h VAL 111 CO -0.21 0.09 0.57 0.00 0.02 0.00 0.00 177.57 178.03 1bz0 h VAL 113 N 1.09 1.27 -0.60 0.00 2.07 -0.34 -0.31 116.25 119.42 1bz0 h VAL 113 Ca 0.36 -1.31 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 1bz0 h VAL 113 Cb 0.03 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1bz0 h VAL 113 CO -0.13 0.45 0.17 -0.07 0.02 0.00 0.00 177.57 178.02 1bz0 h LEU 114 N 0.81 0.89 -0.55 2.57 3.38 -0.91 0.53 115.31 122.02 1bz0 h LEU 114 Ca 0.12 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1bz0 h LEU 114 Cb 0.73 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1bz0 h LEU 114 CO 0.06 0.87 0.23 0.00 0.09 0.00 0.00 178.44 179.68 1bz0 h ALA 115 N 1.05 0.71 -0.49 1.53 0.00 -0.94 0.14 119.26 121.26 1bz0 h ALA 115 Ca 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1bz0 h ALA 115 Cb 0.31 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1bz0 h ALA 115 CO -0.00 0.32 0.24 1.25 0.00 0.00 0.00 179.25 181.05 1bz0 h HIS 116 N 0.75 0.70 -0.04 0.00 -0.00 -0.73 0.44 115.15 116.27 1bz0 h HIS 116 Ca 0.18 -0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.50 1bz0 h HIS 116 Cb 0.19 -0.22 -0.00 0.00 -0.00 0.00 0.00 27.41 27.38 1bz0 h HIS 116 CO 0.01 0.56 -0.07 1.25 -0.00 0.00 0.00 177.93 179.68 1bz0 h HIS 117 N 0.65 0.15 0.00 5.26 6.17 -0.71 -3.36 115.15 123.31 1bz0 h HIS 117 Ca 0.17 -0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.20 1bz0 h HIS 117 Cb 0.11 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.02 1bz0 h HIS 117 CO -0.01 0.63 -0.78 1.19 0.71 0.00 0.00 177.93 179.67 1bz0 n PHE 118 N -4.72 0.46 -1.04 5.26 3.72 0.02 -5.04 117.46 116.11 1bz0 n PHE 118 Ca -0.08 0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1bz0 n PHE 118 Cb 0.32 -0.58 0.00 0.00 -0.94 0.00 0.00 39.48 38.27 1bz0 n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bz0 n GLY 119 N 1.35 3.29 0.44 1.37 0.00 0.14 -2.64 105.19 109.14 1bz0 n GLY 119 Ca 0.03 -0.15 0.26 0.00 0.00 0.00 0.00 46.02 46.16 1bz0 n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1bz0 h LYS 120 N 0.00 0.00 0.00 1.61 3.64 -1.97 0.12 116.57 119.97 1bz0 h LYS 120 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1bz0 h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1bz0 h LYS 120 CO 0.00 0.00 -0.15 0.93 -2.27 0.00 0.00 179.45 177.96 1bz0 h GLU 121 N 0.00 0.00 -4.20 1.90 5.08 -1.90 -3.29 114.58 112.17 1bz0 h GLU 121 Ca 0.36 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.99 1bz0 h GLU 121 Cb 1.50 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.63 1bz0 h GLU 121 CO -0.00 0.15 2.17 0.34 -1.00 0.00 0.00 179.01 180.66 1bz0 n PHE 122 N -3.43 3.74 -1.39 4.33 7.35 0.41 -4.93 117.46 123.54 1bz0 n PHE 122 Ca -0.01 -2.96 -0.30 0.00 -0.76 0.00 0.00 57.45 53.42 1bz0 n PHE 122 Cb 0.32 -2.23 0.11 0.00 0.35 0.00 0.00 39.48 38.03 1bz0 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1bz0 s THR 123 N 1.80 2.92 0.20 -2.13 -4.23 -1.24 -4.70 115.64 108.25 1bz0 s THR 123 Ca 0.44 0.30 -0.13 0.00 -1.18 0.00 0.00 61.69 61.12 1bz0 s THR 123 Cb 0.07 -2.92 0.19 0.00 1.34 0.00 0.00 72.50 71.18 1bz0 s THR 123 CO -0.01 -0.39 1.65 -0.65 -0.54 0.00 0.00 174.62 174.69 1bz0 h PRO 124 N -1.28 0.06 -0.42 3.99 0.11 -1.93 0.11 132.00 132.64 1bz0 h PRO 124 Ca -0.48 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1bz0 h PRO 124 Cb 1.27 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1bz0 h PRO 124 CO 0.57 0.04 0.11 -1.35 -0.21 0.00 0.00 178.00 177.16 1bz0 h PRO 125 N 0.07 0.62 -0.27 1.05 0.11 -1.99 -0.99 132.00 130.60 1bz0 h PRO 125 Ca 0.29 -0.11 -0.05 0.00 0.11 0.00 0.00 66.00 66.24 1bz0 h PRO 125 Cb 0.46 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1bz0 h PRO 125 CO -0.54 0.57 -0.04 0.28 -0.21 0.00 0.00 178.00 178.05 1bz0 h VAL 126 N 0.61 1.28 -0.47 3.15 2.07 -1.54 -2.14 116.25 119.20 1bz0 h VAL 126 Ca 0.14 -1.03 0.04 0.00 0.82 0.00 0.00 66.70 66.67 1bz0 h VAL 126 Cb 0.22 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 1bz0 h VAL 126 CO -0.00 0.33 0.24 -0.61 0.02 0.00 0.00 177.57 177.54 1bz0 h GLN 127 N 0.26 0.46 -0.98 1.57 4.15 -0.49 -1.08 115.11 119.00 1bz0 h GLN 127 Ca 0.07 -0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.56 1bz0 h GLN 127 Cb 0.50 -0.10 -0.08 0.00 0.21 0.00 0.00 27.48 28.01 1bz0 h GLN 127 CO 0.02 0.30 0.62 0.00 -1.93 0.00 0.00 178.83 177.84 1bz0 h ALA 128 N 1.25 1.42 -0.33 3.38 0.00 -1.05 0.36 119.26 124.30 1bz0 h ALA 128 Ca 0.21 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1bz0 h ALA 128 Cb 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1bz0 h ALA 128 CO -0.14 0.29 -0.08 0.00 0.00 0.00 0.00 179.25 179.32 1bz0 h ALA 129 N 1.49 0.45 -0.40 0.00 0.00 -0.75 -2.38 119.26 117.68 1bz0 h ALA 129 Ca 0.46 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1bz0 h ALA 129 Cb 0.35 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1bz0 h ALA 129 CO -0.23 0.29 0.02 1.88 0.00 0.00 0.00 179.25 181.21 1bz0 h TYR 130 N 0.41 0.65 -0.42 0.00 0.05 -0.42 -2.09 116.97 115.14 1bz0 h TYR 130 Ca 0.08 -0.07 -0.06 0.00 0.05 0.00 0.00 58.73 58.73 1bz0 h TYR 130 Cb 0.58 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 38.11 1bz0 h TYR 130 CO 0.05 0.61 0.02 1.96 -1.05 0.00 0.00 178.16 179.75 1bz0 h GLN 131 N 0.59 0.67 -0.32 4.88 1.08 -0.02 -0.18 115.11 121.81 1bz0 h GLN 131 Ca 0.13 -0.16 -0.13 0.00 -1.45 0.00 0.00 58.65 57.04 1bz0 h GLN 131 Cb 0.35 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1bz0 h GLN 131 CO 0.01 0.68 -0.34 0.87 -0.95 0.00 0.00 178.83 179.10 1bz0 h LYS 132 N 0.64 0.70 0.07 1.46 1.57 -0.88 -2.55 116.57 117.57 1bz0 h LYS 132 Ca 0.13 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1bz0 h LYS 132 Cb 0.37 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1bz0 h LYS 132 CO 0.01 0.94 -0.03 0.28 -0.57 0.00 0.00 179.45 180.08 1bz0 h VAL 133 N 0.59 1.12 -0.62 0.50 2.07 -0.90 -1.80 116.25 117.21 1bz0 h VAL 133 Ca 0.06 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 1bz0 h VAL 133 Cb 0.86 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 1bz0 h VAL 133 CO 0.07 0.17 0.29 -0.37 0.02 0.00 0.00 177.57 177.75 1bz0 h VAL 134 N -0.40 1.21 -0.74 2.57 -1.51 -1.07 -0.65 116.25 115.66 1bz0 h VAL 134 Ca -0.01 -0.59 -0.03 0.00 -1.23 0.00 0.00 66.70 64.84 1bz0 h VAL 134 Cb 0.35 0.42 -0.03 0.00 -2.13 0.00 0.00 31.29 29.90 1bz0 h VAL 134 CO 0.02 0.24 0.33 0.00 -1.23 0.00 0.00 177.57 176.93 1bz0 h ALA 135 N 1.44 0.95 -0.19 5.19 0.00 -1.46 -0.38 119.26 124.82 1bz0 h ALA 135 Ca 0.22 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1bz0 h ALA 135 Cb 0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1bz0 h ALA 135 CO -0.03 0.55 0.12 0.78 0.00 0.00 0.00 179.25 180.67 1bz0 h GLY 136 N 1.05 0.28 0.92 0.00 0.00 -0.61 -0.28 103.07 104.42 1bz0 h GLY 136 Ca 0.25 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 1bz0 h GLY 136 CO -0.03 0.11 0.08 -2.08 0.00 0.00 0.00 176.54 174.62 1bz0 h VAL 137 N 0.24 1.11 -0.68 4.60 2.07 -1.04 0.27 116.25 122.81 1bz0 h VAL 137 Ca 0.07 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.27 1bz0 h VAL 137 Cb 0.01 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1bz0 h VAL 137 CO -0.01 0.11 0.45 0.00 0.02 0.00 0.00 177.57 178.14 1bz0 h ALA 138 N 0.96 0.87 -0.55 1.67 0.00 -0.92 -0.79 119.26 120.49 1bz0 h ALA 138 Ca 0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1bz0 h ALA 138 Cb 0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1bz0 h ALA 138 CO -0.01 0.29 0.10 -0.91 0.00 0.00 0.00 179.25 178.72 1bz0 h ASN 139 N 0.93 0.87 -0.79 0.00 2.35 -0.81 -1.80 115.58 116.33 1bz0 h ASN 139 Ca 0.25 -0.26 0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1bz0 h ASN 139 Cb -0.11 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 37.99 1bz0 h ASN 139 CO -0.05 0.90 0.52 0.00 -1.65 0.00 0.00 177.43 177.15 1bz0 h ALA 140 N 1.00 1.00 0.00 -0.83 0.00 -0.01 -2.50 119.26 117.92 1bz0 h ALA 140 Ca 0.17 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1bz0 h ALA 140 Cb 0.40 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1bz0 h ALA 140 CO 0.01 0.41 -0.30 -0.07 0.00 0.00 0.00 179.25 179.30 1bz0 h LEU 141 N 1.06 0.00 -0.14 0.00 3.38 -0.91 -3.13 115.31 115.57 1bz0 h LEU 141 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1bz0 h LEU 141 Cb -0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1bz0 h LEU 141 CO -0.07 0.30 -0.42 0.00 0.09 0.00 0.00 178.44 178.34 1bz0 n ALA 142 N -2.25 3.40 -0.33 1.53 0.00 -0.70 -4.45 120.51 117.70 1bz0 n ALA 142 Ca 0.00 -0.36 0.06 0.00 0.00 0.00 0.00 53.44 53.14 1bz0 n ALA 142 Cb 0.47 -1.13 0.22 0.00 0.00 0.00 0.00 19.45 19.02 1bz0 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1bz0 h HIS 143 N 0.35 1.00 -0.50 0.00 6.17 -1.39 -2.48 115.15 118.30 1bz0 h HIS 143 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1bz0 h HIS 143 Cb 0.50 -0.31 0.00 0.00 2.52 0.00 0.00 27.41 30.12 1bz0 h HIS 143 CO 0.00 0.36 0.00 1.63 0.71 0.00 0.00 177.93 180.63 1bz0 n LYS 144 N -4.71 2.82 -2.34 5.26 4.76 -1.26 -4.94 118.16 117.74 1bz0 n LYS 144 Ca 0.18 -2.07 -0.38 0.00 -2.87 0.00 0.00 58.31 53.16 1bz0 n LYS 144 Cb 0.37 -1.65 -0.03 0.00 -1.84 0.00 0.00 35.03 31.88 1bz0 n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1bz0 s TYR 145 N -1.63 3.15 0.00 2.13 1.51 -0.93 -4.73 117.35 116.84 1bz0 s TYR 145 Ca 0.37 1.58 0.00 0.00 -1.01 0.00 0.00 57.07 58.01 1bz0 s TYR 145 Cb 0.23 -3.35 0.00 0.00 -0.11 0.00 0.00 41.96 38.73 1bz0 s TYR 145 CO 0.20 -1.16 0.00 -2.39 -1.11 0.00 0.00 175.55 171.09