#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bz1 s HIS 2 N 0.00 2.94 -0.11 6.34 2.46 -1.26 -4.73 115.29 120.93 1bz1 s HIS 2 Ca 0.00 -0.91 0.03 0.00 0.47 0.00 0.00 55.06 54.65 1bz1 s HIS 2 Cb 0.00 -4.10 -0.00 0.00 -0.13 0.00 0.00 32.58 28.35 1bz1 s HIS 2 CO 0.00 -1.39 -0.22 -0.51 -2.47 0.00 0.00 174.74 170.15 1bz1 s LEU 3 N 2.98 2.22 0.89 8.88 1.43 -1.26 -5.09 118.68 128.72 1bz1 s LEU 3 Ca 0.16 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 52.64 1bz1 s LEU 3 Cb -0.21 -1.45 0.12 0.00 0.03 0.00 0.00 46.19 44.68 1bz1 s LEU 3 CO 0.06 0.16 1.10 0.42 0.23 0.00 0.00 176.35 178.32 1bz1 s THR 4 N 0.33 2.67 0.43 5.49 -4.23 -1.26 -4.70 115.64 114.38 1bz1 s THR 4 Ca -0.17 0.22 0.16 0.00 -1.18 0.00 0.00 61.69 60.72 1bz1 s THR 4 Cb -0.17 -2.55 0.35 0.00 1.34 0.00 0.00 72.50 71.47 1bz1 s THR 4 CO 0.08 -0.29 1.93 -0.65 -0.54 0.00 0.00 174.62 175.16 1bz1 h PRO 5 N -1.59 0.39 0.02 3.99 0.11 -2.00 0.06 132.00 132.97 1bz1 h PRO 5 Ca -0.47 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 65.40 1bz1 h PRO 5 Cb 1.27 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1bz1 h PRO 5 CO 0.50 0.26 -0.95 0.93 -0.21 0.00 0.00 178.00 178.52 1bz1 h GLU 6 N 0.40 0.24 -0.34 1.05 3.07 -1.99 -1.63 114.58 115.37 1bz1 h GLU 6 Ca 0.35 -0.28 -0.14 0.00 -0.50 0.00 0.00 59.36 58.78 1bz1 h GLU 6 Cb 0.80 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.79 1bz1 h GLU 6 CO -0.10 1.03 -0.35 0.93 -1.40 0.00 0.00 179.01 179.12 1bz1 h GLU 7 N 0.12 0.84 -0.19 2.33 5.08 -1.42 -1.70 114.58 119.64 1bz1 h GLU 7 Ca -0.06 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 57.85 1bz1 h GLU 7 Cb 1.61 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.87 1bz1 h GLU 7 CO 0.15 1.08 0.10 -0.22 -1.00 0.00 0.00 179.01 179.12 1bz1 h LYS 8 N 0.63 0.27 -0.14 2.33 1.63 -1.03 -2.01 116.57 118.25 1bz1 h LYS 8 Ca 0.05 -0.04 -0.08 0.00 -0.85 0.00 0.00 60.65 59.74 1bz1 h LYS 8 Cb 0.93 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.50 1bz1 h LYS 8 CO 0.09 0.28 -0.27 0.66 -3.45 0.00 0.00 179.45 176.75 1bz1 h SER 9 N 0.19 0.26 -0.56 4.20 4.64 -1.26 -1.13 113.55 119.89 1bz1 h SER 9 Ca 0.07 -0.08 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 1bz1 h SER 9 Cb 0.09 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 1bz1 h SER 9 CO -0.01 0.54 0.13 0.00 -0.87 0.00 0.00 176.83 176.61 1bz1 h ALA 10 N 1.49 0.74 0.33 5.18 0.00 -0.90 0.08 119.26 126.18 1bz1 h ALA 10 Ca 0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1bz1 h ALA 10 Cb 0.61 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1bz1 h ALA 10 CO 0.04 0.45 -0.16 0.28 0.00 0.00 0.00 179.25 179.87 1bz1 h VAL 11 N 0.80 0.70 -0.11 0.00 2.07 -1.09 -2.40 116.25 116.23 1bz1 h VAL 11 Ca 0.17 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1bz1 h VAL 11 Cb 0.36 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1bz1 h VAL 11 CO 0.00 0.06 0.07 0.74 0.02 0.00 0.00 177.57 178.47 1bz1 h THR 12 N -0.61 1.03 -0.18 2.57 2.02 -1.17 -1.65 112.91 114.91 1bz1 h THR 12 Ca -0.04 -0.05 0.04 0.00 0.77 0.00 0.00 66.41 67.13 1bz1 h THR 12 Cb 0.44 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 1bz1 h THR 12 CO 0.07 0.03 -0.07 0.00 0.37 0.00 0.00 175.52 175.92 1bz1 h ALA 13 N 1.04 0.09 -0.42 6.16 0.00 -0.99 -2.63 119.26 122.51 1bz1 h ALA 13 Ca 0.04 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1bz1 h ALA 13 Cb -0.01 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1bz1 h ALA 13 CO -0.01 -0.50 0.03 1.25 0.00 0.00 0.00 179.25 180.02 1bz1 h LEU 14 N -0.04 0.70 -2.13 0.00 6.46 -1.31 -3.14 115.31 115.84 1bz1 h LEU 14 Ca 0.10 -0.28 0.00 0.00 -0.12 0.00 0.00 57.88 57.57 1bz1 h LEU 14 Cb 0.18 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1bz1 h LEU 14 CO -0.21 0.81 0.01 -0.25 -0.62 0.00 0.00 178.44 178.18 1bz1 h TRP 15 N 0.56 0.00 0.00 1.25 2.91 -0.99 -1.65 115.95 118.03 1bz1 h TRP 15 Ca 0.12 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.14 1bz1 h TRP 15 Cb 0.43 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.08 1bz1 h TRP 15 CO 0.03 0.00 -0.01 0.78 -1.03 0.00 0.00 178.44 178.21 1bz1 h GLY 16 N 0.00 0.00 -0.16 2.65 0.00 -1.43 -1.99 103.07 102.15 1bz1 h GLY 16 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1bz1 h GLY 16 CO -0.00 0.00 -0.71 0.28 0.00 0.00 0.00 176.54 176.11 1bz1 n LYS 17 N -3.14 0.45 -2.69 4.80 5.02 -0.63 -4.95 118.16 117.04 1bz1 n LYS 17 Ca -0.02 -0.36 -0.42 0.00 -2.02 0.00 0.00 58.31 55.50 1bz1 n LYS 17 Cb 0.15 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.64 1bz1 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1bz1 s VAL 18 N -2.79 4.66 -0.64 -0.18 1.01 -0.75 -4.99 120.40 116.71 1bz1 s VAL 18 Ca 0.13 2.00 -0.21 0.00 0.00 0.00 0.00 61.98 63.90 1bz1 s VAL 18 Cb 0.17 -4.28 0.08 0.00 0.00 0.00 0.00 36.38 32.35 1bz1 s VAL 18 CO 0.72 0.21 0.88 0.21 0.00 0.00 0.00 175.10 177.13 1bz1 s ASN 19 N 0.66 6.18 0.34 3.32 3.84 -1.26 -4.92 114.94 123.08 1bz1 s ASN 19 Ca 0.51 -1.13 0.07 0.00 0.21 0.00 0.00 52.86 52.52 1bz1 s ASN 19 Cb -0.23 -2.38 0.76 0.00 -0.55 0.00 0.00 41.25 38.85 1bz1 s ASN 19 CO 0.29 -1.34 1.86 0.58 -2.79 0.00 0.00 177.10 175.70 1bz1 h VAL 20 N 5.96 0.85 0.46 -5.21 2.07 -1.94 -1.26 116.25 117.18 1bz1 h VAL 20 Ca -0.29 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1bz1 h VAL 20 Cb 1.08 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1bz1 h VAL 20 CO 1.16 0.14 -0.31 0.44 0.02 0.00 0.00 177.57 179.02 1bz1 h ASP 21 N 0.76 -0.79 -0.03 0.57 3.32 -1.91 0.37 116.42 118.71 1bz1 h ASP 21 Ca 0.46 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.56 1bz1 h ASP 21 Cb 0.67 0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.46 1bz1 h ASP 21 CO -0.22 -0.48 0.01 -0.33 -1.72 0.00 0.00 179.24 176.50 1bz1 h GLU 22 N -0.74 0.04 -0.53 3.56 5.08 -1.85 -2.66 114.58 117.48 1bz1 h GLU 22 Ca -0.05 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 1bz1 h GLU 22 Cb 0.62 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1bz1 h GLU 22 CO 0.03 0.17 -0.14 0.28 -1.00 0.00 0.00 179.01 178.35 1bz1 h VAL 23 N -0.10 1.27 -0.32 3.13 2.07 -1.26 -2.52 116.25 118.52 1bz1 h VAL 23 Ca 0.01 -1.31 0.03 0.00 0.82 0.00 0.00 66.70 66.25 1bz1 h VAL 23 Cb 0.14 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1bz1 h VAL 23 CO -0.00 0.46 0.13 1.23 0.02 0.00 0.00 177.57 179.40 1bz1 h GLY 24 N 0.91 0.41 0.92 2.17 0.00 -0.93 0.12 103.07 106.67 1bz1 h GLY 24 Ca 0.13 -0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.40 1bz1 h GLY 24 CO 0.06 0.05 0.27 -1.33 0.00 0.00 0.00 176.54 175.59 1bz1 h GLY 25 N 0.27 0.63 0.91 4.60 0.00 -1.43 -1.04 103.07 107.00 1bz1 h GLY 25 Ca 0.14 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 1bz1 h GLY 25 CO -0.13 0.19 -0.01 0.83 0.00 0.00 0.00 176.54 177.41 1bz1 h GLU 26 N 0.55 0.60 0.17 4.80 4.39 -1.10 -1.19 114.58 122.81 1bz1 h GLU 26 Ca 0.18 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1bz1 h GLU 26 Cb -0.01 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1bz1 h GLU 26 CO -0.07 0.73 -0.08 0.00 -1.16 0.00 0.00 179.01 178.43 1bz1 h ALA 27 N 0.84 -0.23 -0.64 3.43 0.00 -0.66 -0.46 119.26 121.55 1bz1 h ALA 27 Ca 0.09 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1bz1 h ALA 27 Cb 0.47 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1bz1 h ALA 27 CO 0.02 -0.57 0.11 1.25 0.00 0.00 0.00 179.25 180.06 1bz1 h LEU 28 N -0.34 1.01 -0.55 0.00 5.85 -1.21 -1.57 115.31 118.50 1bz1 h LEU 28 Ca -0.02 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.45 1bz1 h LEU 28 Cb 0.27 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1bz1 h LEU 28 CO 0.04 1.01 0.35 1.23 -0.34 0.00 0.00 178.44 180.73 1bz1 h GLY 29 N 0.97 0.77 1.60 3.75 0.00 -1.10 -2.34 103.07 106.72 1bz1 h GLY 29 Ca 0.20 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 47.17 1bz1 h GLY 29 CO 0.01 0.26 -0.18 3.21 0.00 0.00 0.00 176.54 179.85 1bz1 h ARG 30 N 0.72 0.48 -0.28 4.80 3.08 -0.97 -1.69 114.38 120.52 1bz1 h ARG 30 Ca 0.21 -0.15 0.02 0.00 0.07 0.00 0.00 59.98 60.12 1bz1 h ARG 30 Cb -0.06 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1bz1 h ARG 30 CO -0.06 0.64 0.13 1.25 -1.07 0.00 0.00 179.97 180.86 1bz1 h LEU 31 N 0.43 0.20 -1.29 3.04 5.85 -0.82 0.12 115.31 122.83 1bz1 h LEU 31 Ca 0.07 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 1bz1 h LEU 31 Cb 0.56 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1bz1 h LEU 31 CO 0.04 0.15 -0.32 -0.07 -0.34 0.00 0.00 178.44 177.90 1bz1 h LEU 32 N 0.28 0.00 0.03 2.25 4.07 -1.04 -1.79 115.31 119.12 1bz1 h LEU 32 Ca 0.11 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.98 1bz1 h LEU 32 Cb 0.04 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.77 1bz1 h LEU 32 CO -0.08 0.32 -0.47 0.58 -1.08 0.00 0.00 178.44 177.70 1bz1 h VAL 33 N 0.00 1.53 -0.04 1.22 2.07 -0.86 -3.23 116.25 116.93 1bz1 h VAL 33 Ca -0.00 -2.35 -0.18 0.00 0.82 0.00 0.00 66.70 64.99 1bz1 h VAL 33 Cb 0.67 3.09 -0.01 0.00 -1.52 0.00 0.00 31.29 33.52 1bz1 h VAL 33 CO 0.04 0.58 -0.77 0.58 0.02 0.00 0.00 177.57 178.02 1bz1 h VAL 34 N -0.85 1.43 -2.58 2.57 2.07 -0.81 -3.36 116.25 114.72 1bz1 h VAL 34 Ca -0.11 -2.30 -0.60 0.00 0.82 0.00 0.00 66.70 64.51 1bz1 h VAL 34 Cb 1.22 2.24 -0.41 0.00 -1.52 0.00 0.00 31.29 32.82 1bz1 h VAL 34 CO -0.01 0.68 -0.75 -1.22 0.02 0.00 0.00 177.57 176.28 1bz1 n TYR 35 N -3.77 1.73 0.25 1.57 4.01 -0.67 -4.99 117.16 115.29 1bz1 n TYR 35 Ca -0.04 -3.91 0.16 0.00 -0.16 0.00 0.00 57.90 53.95 1bz1 n TYR 35 Cb 0.73 -0.33 0.87 0.00 -0.31 0.00 0.00 39.34 40.30 1bz1 n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1bz1 h PRO 36 N 5.05 0.00 -0.03 -0.72 0.13 -1.71 -1.74 132.00 132.98 1bz1 h PRO 36 Ca 0.18 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.32 1bz1 h PRO 36 Cb 0.79 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.92 1bz1 h PRO 36 CO 0.61 0.00 0.04 0.11 -0.23 0.00 0.00 178.00 178.54 1bz1 h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -1.08 115.95 114.60 1bz1 h TRP 37 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.02 1bz1 h TRP 37 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.47 1bz1 h TRP 37 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.32 1bz1 h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.63 -2.75 112.91 110.00 1bz1 h THR 38 Ca 0.01 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1bz1 h THR 38 Cb 0.10 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.39 1bz1 h THR 38 CO -0.00 0.00 0.00 1.56 -0.25 0.00 0.00 175.52 176.83 1bz1 h GLN 39 N 0.00 0.00 0.00 4.72 4.20 -1.40 -3.13 115.11 119.50 1bz1 h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1bz1 h GLN 39 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1bz1 h GLN 39 CO 0.00 0.00 0.08 0.07 -0.67 0.00 0.00 178.83 178.31 1bz1 h ARG 40 N 0.00 0.00 -0.01 1.46 0.11 -1.71 -0.77 114.38 113.46 1bz1 h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1bz1 h ARG 40 Cb 0.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.26 1bz1 h ARG 40 CO 0.00 0.00 -0.22 1.19 0.10 0.00 0.00 179.97 181.04 1bz1 n PHE 41 N -2.79 0.00 -2.29 4.08 3.72 -1.18 -4.47 117.46 114.52 1bz1 n PHE 41 Ca -0.02 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.33 1bz1 n PHE 41 Cb 0.13 -0.05 0.07 0.00 -0.94 0.00 0.00 39.48 38.69 1bz1 n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1bz1 n PHE 42 N -0.02 1.16 -0.08 1.38 3.72 -0.29 -4.85 117.46 118.48 1bz1 n PHE 42 Ca 0.13 -1.68 0.17 0.00 -0.05 0.00 0.00 57.45 56.02 1bz1 n PHE 42 Cb 0.42 -0.25 0.58 0.00 -0.94 0.00 0.00 39.48 39.29 1bz1 n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1bz1 h GLU 43 N 1.83 0.24 -0.17 -1.08 4.39 -1.78 -1.68 114.58 116.31 1bz1 h GLU 43 Ca 0.01 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1bz1 h GLU 43 Cb 1.43 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 1bz1 h GLU 43 CO 0.29 0.16 0.00 -1.13 -1.16 0.00 0.00 179.01 177.17 1bz1 n SER 44 N -4.44 1.18 0.01 1.42 3.41 -1.26 -4.08 113.62 109.85 1bz1 n SER 44 Ca 0.11 -1.81 0.13 0.00 -0.26 0.00 0.00 58.87 57.05 1bz1 n SER 44 Cb 0.53 -0.11 0.42 0.00 -0.26 0.00 0.00 64.21 64.79 1bz1 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1bz1 n PHE 45 N 0.07 0.07 0.00 7.33 3.01 -0.63 -5.04 117.46 122.26 1bz1 n PHE 45 Ca 0.12 0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.60 1bz1 n PHE 45 Cb 0.22 -0.42 0.00 0.00 -0.01 0.00 0.00 39.48 39.27 1bz1 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1bz1 n GLY 46 N 1.48 0.20 3.64 1.37 0.00 -1.26 -4.67 105.19 105.96 1bz1 n GLY 46 Ca 0.06 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 1bz1 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bz1 s ASP 47 N -4.00 6.81 -0.07 1.61 2.15 -1.26 -4.87 116.67 117.04 1bz1 s ASP 47 Ca 0.00 1.30 0.10 0.00 0.43 0.00 0.00 52.55 54.38 1bz1 s ASP 47 Cb 0.00 -2.54 0.17 0.00 -0.30 0.00 0.00 42.92 40.25 1bz1 s ASP 47 CO 0.00 -0.95 1.08 0.18 -0.17 0.00 0.00 175.17 175.32 1bz1 n LEU 48 N 7.18 1.20 -0.21 -1.34 4.77 -1.26 -4.07 117.00 123.27 1bz1 n LEU 48 Ca 0.14 -2.09 -0.09 0.00 -0.03 0.00 0.00 56.01 53.94 1bz1 n LEU 48 Cb 0.46 -0.21 0.02 0.00 -2.33 0.00 0.00 43.42 41.36 1bz1 n LEU 48 CO 0.60 0.52 0.87 0.77 -1.33 0.00 0.00 177.39 178.81 1bz1 h SER 49 N 0.10 0.95 -2.60 -1.43 4.64 -1.93 -3.43 113.55 109.85 1bz1 h SER 49 Ca -0.01 -0.27 -0.54 0.00 -0.47 0.00 0.00 61.79 60.50 1bz1 h SER 49 Cb 1.23 -0.25 -0.14 0.00 -0.31 0.00 0.00 62.40 62.93 1bz1 h SER 49 CO 0.00 0.99 -0.70 0.42 -0.87 0.00 0.00 176.83 176.67 1bz1 s THR 50 N -5.16 1.94 0.27 2.95 -4.23 -1.26 -5.01 115.64 105.14 1bz1 s THR 50 Ca -0.12 -2.20 -0.03 0.00 -1.18 0.00 0.00 61.69 58.15 1bz1 s THR 50 Cb 0.13 -2.42 0.27 0.00 1.34 0.00 0.00 72.50 71.82 1bz1 s THR 50 CO 0.83 -0.33 1.91 -0.65 -0.54 0.00 0.00 174.62 175.84 1bz1 h PRO 51 N 2.25 1.20 -0.50 3.99 0.11 -1.98 0.24 132.00 137.31 1bz1 h PRO 51 Ca -0.40 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 1bz1 h PRO 51 Cb 1.24 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 1bz1 h PRO 51 CO 0.66 0.80 -0.04 -0.44 -0.21 0.00 0.00 178.00 178.77 1bz1 h ASP 52 N 1.24 0.90 0.57 -2.05 3.32 -1.98 0.69 116.42 119.10 1bz1 h ASP 52 Ca 0.39 -0.32 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 1bz1 h ASP 52 Cb 0.01 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.32 1bz1 h ASP 52 CO -0.12 1.01 -0.27 0.00 -1.72 0.00 0.00 179.24 178.13 1bz1 h ALA 53 N 0.92 -0.76 -0.18 3.45 0.00 -1.63 -2.14 119.26 118.92 1bz1 h ALA 53 Ca 0.14 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1bz1 h ALA 53 Cb 0.57 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1bz1 h ALA 53 CO 0.03 -0.93 -0.09 0.28 0.00 0.00 0.00 179.25 178.55 1bz1 h VAL 54 N -0.77 0.72 -0.14 0.00 2.07 -0.44 -2.39 116.25 115.30 1bz1 h VAL 54 Ca -0.08 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 1bz1 h VAL 54 Cb 0.59 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1bz1 h VAL 54 CO 0.13 0.00 -0.23 0.24 0.02 0.00 0.00 177.57 177.73 1bz1 h MET 55 N -0.07 0.24 -0.36 1.57 2.07 -0.85 -2.75 114.93 114.78 1bz1 h MET 55 Ca 0.10 -0.07 0.00 0.00 -2.07 0.00 0.00 59.70 57.66 1bz1 h MET 55 Cb 0.22 -0.02 0.00 0.00 -1.87 0.00 0.00 31.60 29.92 1bz1 h MET 55 CO -0.23 0.47 0.00 0.41 1.07 0.00 0.00 176.91 178.63 1bz1 n GLY 56 N -0.62 1.42 3.68 8.32 0.00 -0.81 -4.89 105.19 112.30 1bz1 n GLY 56 Ca -0.01 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 1bz1 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bz1 s ASN 57 N -1.47 6.77 0.41 1.61 3.84 -0.90 -4.88 114.94 120.31 1bz1 s ASN 57 Ca 0.37 2.17 0.19 0.00 0.21 0.00 0.00 52.86 55.80 1bz1 s ASN 57 Cb 0.21 -2.55 0.86 0.00 -0.55 0.00 0.00 41.25 39.23 1bz1 s ASN 57 CO 0.30 -0.80 1.84 1.55 -2.79 0.00 0.00 177.10 177.20 1bz1 h PRO 58 N 8.31 0.00 -0.03 0.43 0.13 -1.91 -1.77 132.00 137.16 1bz1 h PRO 58 Ca -0.38 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.58 1bz1 h PRO 58 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1bz1 h PRO 58 CO 0.92 0.32 -0.72 0.87 -0.23 0.00 0.00 178.00 179.16 1bz1 h LYS 59 N 0.00 0.20 0.21 0.86 6.56 -1.90 -1.51 116.57 121.00 1bz1 h LYS 59 Ca -0.00 -0.17 -0.01 0.00 -1.06 0.00 0.00 60.65 59.40 1bz1 h LYS 59 Cb 0.70 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.40 1bz1 h LYS 59 CO 0.04 0.84 -0.10 0.28 -2.06 0.00 0.00 179.45 178.45 1bz1 h VAL 60 N 0.13 0.87 -0.75 0.50 2.07 -1.75 -1.56 116.25 115.77 1bz1 h VAL 60 Ca -0.02 -0.51 0.07 0.00 0.82 0.00 0.00 66.70 67.05 1bz1 h VAL 60 Cb 1.28 1.17 -0.06 0.00 -1.52 0.00 0.00 31.29 32.16 1bz1 h VAL 60 CO 0.11 0.11 0.43 0.11 0.02 0.00 0.00 177.57 178.36 1bz1 h LYS 61 N -0.55 0.76 -0.11 1.57 1.57 -1.35 0.18 116.57 118.63 1bz1 h LYS 61 Ca -0.03 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1bz1 h LYS 61 Cb 0.41 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1bz1 h LYS 61 CO 0.05 0.50 0.06 0.00 -0.57 0.00 0.00 179.45 179.49 1bz1 h ALA 62 N 1.38 0.15 -0.52 3.86 0.00 -1.21 -1.93 119.26 120.99 1bz1 h ALA 62 Ca 0.34 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1bz1 h ALA 62 Cb 0.22 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1bz1 h ALA 62 CO -0.19 -0.32 0.17 1.25 0.00 0.00 0.00 179.25 180.16 1bz1 h HIS 63 N 0.09 0.82 -0.81 0.00 -0.00 -1.01 -2.45 115.15 111.79 1bz1 h HIS 63 Ca 0.04 -0.08 0.10 0.00 -0.00 0.00 0.00 60.37 60.43 1bz1 h HIS 63 Cb 0.08 -0.24 -0.07 0.00 -0.00 0.00 0.00 27.41 27.17 1bz1 h HIS 63 CO -0.04 0.70 0.45 0.78 -0.00 0.00 0.00 177.93 179.82 1bz1 h GLY 64 N 0.70 1.25 1.17 5.26 0.00 -0.49 0.12 103.07 111.10 1bz1 h GLY 64 Ca 0.17 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.16 1bz1 h GLY 64 CO -0.01 0.11 0.24 1.70 0.00 0.00 0.00 176.54 178.58 1bz1 h LYS 65 N 0.75 1.04 -0.05 4.80 3.64 -0.99 -1.67 116.57 124.09 1bz1 h LYS 65 Ca 0.39 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1bz1 h LYS 65 Cb 0.39 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1bz1 h LYS 65 CO -0.26 0.87 0.01 0.87 -2.27 0.00 0.00 179.45 178.67 1bz1 h LYS 66 N 1.01 0.08 0.06 1.90 1.57 -0.77 -1.75 116.57 118.68 1bz1 h LYS 66 Ca 0.23 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1bz1 h LYS 66 Cb 0.25 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1bz1 h LYS 66 CO -0.01 0.31 -0.08 0.28 -0.57 0.00 0.00 179.45 179.37 1bz1 h VAL 67 N -0.16 0.81 -0.04 0.50 2.07 -0.86 -1.79 116.25 116.78 1bz1 h VAL 67 Ca 0.01 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.43 1bz1 h VAL 67 Cb 0.27 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1bz1 h VAL 67 CO 0.00 0.00 -0.49 -0.07 0.02 0.00 0.00 177.57 177.04 1bz1 h LEU 68 N -0.17 0.10 -0.84 2.57 3.38 -1.35 -0.24 115.31 118.76 1bz1 h LEU 68 Ca 0.01 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1bz1 h LEU 68 Cb 0.17 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1bz1 h LEU 68 CO -0.04 0.57 0.19 1.23 0.09 0.00 0.00 178.44 180.48 1bz1 h GLY 69 N 1.42 1.13 1.35 0.83 0.00 -1.19 0.63 103.07 107.23 1bz1 h GLY 69 Ca 0.00 -0.67 -0.18 0.00 0.00 0.00 0.00 47.33 46.49 1bz1 h GLY 69 CO 0.07 0.63 -0.58 0.00 0.00 0.00 0.00 176.54 176.66 1bz1 h ALA 70 N 1.20 0.59 -0.74 3.60 0.00 -0.86 -2.69 119.26 120.35 1bz1 h ALA 70 Ca 0.22 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1bz1 h ALA 70 Cb 0.32 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1bz1 h ALA 70 CO -0.00 0.69 0.48 0.35 0.00 0.00 0.00 179.25 180.77 1bz1 h PHE 71 N 0.51 0.94 -0.81 0.00 3.04 -0.57 -2.31 116.94 117.75 1bz1 h PHE 71 Ca 0.00 0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.03 1bz1 h PHE 71 Cb 1.15 -0.32 -0.05 0.00 2.56 0.00 0.00 35.95 39.29 1bz1 h PHE 71 CO 0.06 0.60 0.53 0.77 -2.02 0.00 0.00 178.31 178.25 1bz1 h SER 72 N 1.01 0.80 -0.94 0.41 0.02 0.57 -2.07 113.55 113.34 1bz1 h SER 72 Ca 0.27 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.23 1bz1 h SER 72 Cb -0.10 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.23 1bz1 h SER 72 CO -0.06 0.52 0.61 0.44 -1.14 0.00 0.00 176.83 177.21 1bz1 h ASP 73 N 0.91 1.09 1.29 3.07 3.32 -1.19 -2.23 116.42 122.69 1bz1 h ASP 73 Ca 0.34 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1bz1 h ASP 73 Cb 0.19 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1bz1 h ASP 73 CO -0.12 0.80 0.00 1.23 -1.72 0.00 0.00 179.24 179.43 1bz1 h GLY 74 N 1.28 0.00 2.00 2.75 0.00 -1.26 -2.70 103.07 105.14 1bz1 h GLY 74 Ca 0.34 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.62 1bz1 h GLY 74 CO -0.07 0.00 -0.25 1.41 0.00 0.00 0.00 176.54 177.63 1bz1 h LEU 75 N 0.00 0.00 -0.22 3.11 4.07 -1.30 -1.79 115.31 119.19 1bz1 h LEU 75 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1bz1 h LEU 75 Cb 0.65 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.39 1bz1 h LEU 75 CO 0.00 0.25 0.00 0.00 -1.08 0.00 0.00 178.44 177.61 1bz1 h ALA 76 N 1.75 1.00 -1.06 1.53 0.00 -1.51 -3.32 119.26 117.65 1bz1 h ALA 76 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.46 1bz1 h ALA 76 Cb 0.47 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.85 1bz1 h ALA 76 CO 0.03 0.00 -0.98 0.72 0.00 0.00 0.00 179.25 179.02 1bz1 n HIS 77 N -2.66 2.13 0.30 0.00 8.25 -0.71 -4.88 115.22 117.65 1bz1 n HIS 77 Ca 0.04 -2.73 0.19 0.00 -0.26 0.00 0.00 57.72 54.96 1bz1 n HIS 77 Cb 0.44 -0.25 0.99 0.00 1.12 0.00 0.00 29.99 32.28 1bz1 n HIS 77 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1bz1 h LEU 78 N 2.70 0.00 0.00 2.41 5.85 -1.58 0.10 115.31 124.79 1bz1 h LEU 78 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1bz1 h LEU 78 Cb 1.15 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1bz1 h LEU 78 CO 0.60 0.00 -0.42 -0.90 -0.34 0.00 0.00 178.44 177.38 1bz1 n ASP 79 N -3.30 0.71 -3.14 1.25 5.75 -1.26 0.78 116.55 117.34 1bz1 n ASP 79 Ca -0.01 0.25 -0.19 0.00 -0.01 0.00 0.00 54.79 54.82 1bz1 n ASP 79 Cb 0.22 -0.13 -0.03 0.00 -1.03 0.00 0.00 41.12 40.15 1bz1 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1bz1 n ASN 80 N -2.12 0.21 -0.09 -1.12 5.15 0.34 -4.69 115.26 112.94 1bz1 n ASN 80 Ca 0.04 -2.95 -0.12 0.00 -0.60 0.00 0.00 54.58 50.95 1bz1 n ASN 80 Cb 0.43 -0.35 -0.04 0.00 -0.53 0.00 0.00 39.78 39.29 1bz1 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1bz1 h LEU 81 N 3.41 0.52 -0.58 1.20 3.38 -1.75 -0.23 115.31 121.26 1bz1 h LEU 81 Ca 0.06 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.70 1bz1 h LEU 81 Cb 0.95 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 1bz1 h LEU 81 CO 0.45 0.77 0.33 0.11 0.09 0.00 0.00 178.44 180.20 1bz1 h LYS 82 N 0.26 0.62 -0.50 1.13 1.57 -1.90 -0.62 116.57 117.14 1bz1 h LYS 82 Ca 0.07 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 1bz1 h LYS 82 Cb 0.55 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1bz1 h LYS 82 CO 0.03 0.41 0.04 0.78 -0.57 0.00 0.00 179.45 180.14 1bz1 h GLY 83 N 0.64 0.92 1.02 3.86 0.00 -1.93 -1.33 103.07 106.25 1bz1 h GLY 83 Ca 0.25 -0.65 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 1bz1 h GLY 83 CO -0.13 0.60 0.41 -0.84 0.00 0.00 0.00 176.54 176.57 1bz1 h THR 84 N 0.72 1.24 -0.33 4.70 2.02 -0.49 -3.24 112.91 117.52 1bz1 h THR 84 Ca 0.15 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1bz1 h THR 84 Cb 0.46 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1bz1 h THR 84 CO 0.02 0.27 0.00 0.49 0.37 0.00 0.00 175.52 176.67 1bz1 n PHE 85 N -4.42 0.42 -0.12 3.16 3.72 -0.29 -4.67 117.46 115.26 1bz1 n PHE 85 Ca 0.07 -0.21 -0.04 0.00 -0.05 0.00 0.00 57.45 57.22 1bz1 n PHE 85 Cb 0.11 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.67 1bz1 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bz1 h ALA 86 N 4.52 0.33 0.14 4.37 0.00 -1.27 0.49 119.26 127.84 1bz1 h ALA 86 Ca 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1bz1 h ALA 86 Cb 0.96 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1bz1 h ALA 86 CO 0.00 -0.42 -0.07 1.15 0.00 0.00 0.00 179.25 179.91 1bz1 h THR 87 N 0.06 0.89 -0.02 0.00 2.02 -1.85 -1.54 112.91 112.48 1bz1 h THR 87 Ca 0.20 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.22 1bz1 h THR 87 Cb 0.30 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1bz1 h THR 87 CO -0.38 0.03 -0.16 -0.07 0.37 0.00 0.00 175.52 175.31 1bz1 h LEU 88 N -0.24 0.03 0.05 2.58 3.38 -1.79 -1.35 115.31 117.96 1bz1 h LEU 88 Ca -0.02 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1bz1 h LEU 88 Cb 0.19 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1bz1 h LEU 88 CO 0.03 0.19 -0.02 -1.28 0.09 0.00 0.00 178.44 177.45 1bz1 h SER 89 N 0.03 -0.05 -0.88 -0.43 0.87 0.51 -1.03 113.55 112.57 1bz1 h SER 89 Ca 0.00 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.45 1bz1 h SER 89 Cb 0.30 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.24 1bz1 h SER 89 CO 0.02 0.06 0.46 -0.33 -0.53 0.00 0.00 176.83 176.51 1bz1 h GLU 90 N -0.16 1.24 -0.23 2.24 5.08 -1.07 -2.03 114.58 119.64 1bz1 h GLU 90 Ca -0.01 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1bz1 h GLU 90 Cb 0.14 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1bz1 h GLU 90 CO 0.01 0.92 0.13 1.25 -1.00 0.00 0.00 179.01 180.33 1bz1 h LEU 91 N 1.24 0.21 -1.27 1.33 5.85 -1.05 0.12 115.31 121.74 1bz1 h LEU 91 Ca 0.31 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.96 1bz1 h LEU 91 Cb 0.06 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1bz1 h LEU 91 CO -0.05 0.16 -0.35 0.45 -0.34 0.00 0.00 178.44 178.31 1bz1 h HIS 92 N 0.28 0.00 0.00 1.25 3.86 -1.02 -0.11 115.15 119.41 1bz1 h HIS 92 Ca 0.09 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1bz1 h HIS 92 Cb -0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 1bz1 h HIS 92 CO -0.08 0.35 -0.03 0.00 0.86 0.00 0.00 177.93 179.03 1bz1 h ASP 94 N -1.00 0.58 0.05 0.00 3.32 -0.82 -3.05 116.42 115.50 1bz1 h ASP 94 Ca -0.00 -0.58 -0.38 0.00 0.02 0.00 0.00 57.03 56.08 1bz1 h ASP 94 Cb 0.21 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.54 1bz1 h ASP 94 CO -0.00 1.06 -2.32 0.29 -1.72 0.00 0.00 179.24 176.55 1bz1 n LYS 95 N -4.31 0.68 0.06 3.56 4.76 -0.55 -4.65 118.16 117.71 1bz1 n LYS 95 Ca -0.07 0.17 0.08 0.00 -2.87 0.00 0.00 58.31 55.63 1bz1 n LYS 95 Cb 0.52 -1.58 -0.05 0.00 -1.84 0.00 0.00 35.03 32.09 1bz1 n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1bz1 n LEU 96 N -3.27 0.70 -3.71 -0.35 4.77 -0.16 -4.99 117.00 109.98 1bz1 n LEU 96 Ca -0.40 0.28 -0.26 0.00 -0.03 0.00 0.00 56.01 55.60 1bz1 n LEU 96 Cb 1.02 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 42.16 1bz1 n LEU 96 CO 0.32 -0.07 0.16 1.41 -1.33 0.00 0.00 177.39 177.89 1bz1 n HIS 97 N -2.66 -2.55 -3.13 -1.77 8.25 -0.19 -4.96 115.22 108.21 1bz1 n HIS 97 Ca -0.04 0.96 -0.41 0.00 -0.26 0.00 0.00 57.72 57.98 1bz1 n HIS 97 Cb 0.63 -4.61 -0.07 0.00 1.12 0.00 0.00 29.99 27.07 1bz1 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1bz1 s VAL 98 N -3.34 4.99 0.09 1.59 1.01 -0.62 -5.03 120.40 119.10 1bz1 s VAL 98 Ca 0.53 1.06 -0.33 0.00 0.00 0.00 0.00 61.98 63.24 1bz1 s VAL 98 Cb -0.25 -3.92 -0.12 0.00 0.00 0.00 0.00 36.38 32.09 1bz1 s VAL 98 CO 0.77 0.02 1.74 -0.67 0.00 0.00 0.00 175.10 176.96 1bz1 n ASP 99 N 5.70 3.51 0.13 3.32 -0.08 -1.26 -4.79 116.55 123.08 1bz1 n ASP 99 Ca -0.01 1.03 0.09 0.00 -1.51 0.00 0.00 54.79 54.39 1bz1 n ASP 99 Cb 0.49 -1.46 0.48 0.00 2.34 0.00 0.00 41.12 42.98 1bz1 n ASP 99 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1bz1 n PRO 100 N 4.87 0.12 0.27 -0.67 -0.02 -1.26 -1.51 135.00 136.81 1bz1 n PRO 100 Ca 0.19 0.58 0.10 0.00 -2.02 0.00 0.00 63.50 62.35 1bz1 n PRO 100 Cb 0.32 -1.87 0.74 0.00 -0.02 0.00 0.00 33.50 32.66 1bz1 n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1bz1 h GLU 101 N 0.00 0.00 -0.11 -0.52 4.57 -1.98 -0.87 114.58 115.67 1bz1 h GLU 101 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1bz1 h GLU 101 Cb 0.06 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 1bz1 h GLU 101 CO 0.00 0.00 -0.06 -0.91 -1.18 0.00 0.00 179.01 176.86 1bz1 h ASN 102 N 0.00 0.15 -0.41 1.04 4.21 -1.64 -1.94 115.58 116.98 1bz1 h ASN 102 Ca -0.00 -0.02 -0.09 0.00 1.21 0.00 0.00 56.30 57.40 1bz1 h ASN 102 Cb 0.01 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.15 1bz1 h ASN 102 CO 0.00 0.25 -0.08 -0.26 -1.29 0.00 0.00 177.43 176.05 1bz1 h PHE 103 N 0.16 0.93 -0.10 1.19 0.04 -1.34 -1.68 116.94 116.14 1bz1 h PHE 103 Ca 0.04 -0.17 -0.02 0.00 2.80 0.00 0.00 57.97 60.62 1bz1 h PHE 103 Cb 0.23 -0.24 -0.00 0.00 2.20 0.00 0.00 35.95 38.13 1bz1 h PHE 103 CO 0.00 0.89 -0.01 0.00 -0.60 0.00 0.00 178.31 178.59 1bz1 h ARG 104 N 0.78 0.19 -0.58 1.51 3.08 -1.45 -1.87 114.38 116.03 1bz1 h ARG 104 Ca 0.13 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1bz1 h ARG 104 Cb 0.57 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 1bz1 h ARG 104 CO 0.04 0.47 0.36 -0.07 -1.07 0.00 0.00 179.97 179.69 1bz1 h LEU 105 N -0.11 0.69 -0.63 3.04 3.38 -1.28 -2.03 115.31 118.37 1bz1 h LEU 105 Ca 0.03 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1bz1 h LEU 105 Cb 0.39 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1bz1 h LEU 105 CO 0.01 0.54 0.40 0.25 0.09 0.00 0.00 178.44 179.72 1bz1 h LEU 106 N 0.78 0.75 -0.41 1.67 5.85 -1.27 -0.88 115.31 121.80 1bz1 h LEU 106 Ca 0.21 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.96 1bz1 h LEU 106 Cb -0.03 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 40.74 1bz1 h LEU 106 CO -0.04 0.57 -0.01 1.23 -0.34 0.00 0.00 178.44 179.85 1bz1 h GLY 107 N 0.86 0.40 0.90 3.75 0.00 -1.01 0.27 103.07 108.25 1bz1 h GLY 107 Ca 0.23 0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.56 1bz1 h GLY 107 CO -0.05 -0.11 -0.00 3.43 0.00 0.00 0.00 176.54 179.82 1bz1 h ASN 108 N 0.10 0.57 -0.72 0.19 2.35 -1.01 -2.35 115.58 114.71 1bz1 h ASN 108 Ca 0.20 -0.31 -0.03 0.00 -0.55 0.00 0.00 56.30 55.62 1bz1 h ASN 108 Cb 0.29 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 1bz1 h ASN 108 CO -0.34 0.74 0.35 0.58 -1.65 0.00 0.00 177.43 177.10 1bz1 h VAL 109 N 0.39 1.24 -0.73 2.81 2.07 -0.80 -2.23 116.25 119.00 1bz1 h VAL 109 Ca 0.09 -0.66 0.06 0.00 0.82 0.00 0.00 66.70 67.01 1bz1 h VAL 109 Cb 0.45 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 1bz1 h VAL 109 CO 0.02 0.28 0.43 0.25 0.02 0.00 0.00 177.57 178.56 1bz1 h LEU 110 N 1.01 0.65 -0.36 2.57 5.85 -0.20 -0.73 115.31 124.10 1bz1 h LEU 110 Ca 0.25 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.01 1bz1 h LEU 110 Cb 0.12 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1bz1 h LEU 110 CO -0.03 0.42 0.19 0.58 -0.34 0.00 0.00 178.44 179.26 1bz1 h VAL 111 N 0.79 1.01 -0.81 1.05 2.07 -1.00 -0.35 116.25 118.99 1bz1 h VAL 111 Ca 0.32 -0.13 0.08 0.00 0.82 0.00 0.00 66.70 67.79 1bz1 h VAL 111 Cb 0.18 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 30.46 1bz1 h VAL 111 CO -0.18 0.07 0.47 0.00 0.02 0.00 0.00 177.57 177.95 1bz1 h VAL 113 N 0.81 1.28 -0.64 0.00 2.07 -0.34 -0.44 116.25 119.00 1bz1 h VAL 113 Ca 0.38 -1.28 -0.07 0.00 0.82 0.00 0.00 66.70 66.55 1bz1 h VAL 113 Cb 0.30 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1bz1 h VAL 113 CO -0.22 0.43 0.14 -0.07 0.02 0.00 0.00 177.57 177.87 1bz1 h LEU 114 N 0.66 0.98 -0.71 2.57 3.38 -0.75 0.06 115.31 121.50 1bz1 h LEU 114 Ca 0.10 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1bz1 h LEU 114 Cb 0.70 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1bz1 h LEU 114 CO 0.05 0.97 0.29 0.00 0.09 0.00 0.00 178.44 179.84 1bz1 h ALA 115 N 1.05 0.92 -0.42 1.53 0.00 -0.83 0.58 119.26 122.08 1bz1 h ALA 115 Ca 0.20 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1bz1 h ALA 115 Cb 0.39 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1bz1 h ALA 115 CO 0.01 0.54 0.17 1.25 0.00 0.00 0.00 179.25 181.22 1bz1 h HIS 116 N 1.01 0.64 0.13 0.00 -0.00 -0.79 0.35 115.15 116.49 1bz1 h HIS 116 Ca 0.24 -0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.55 1bz1 h HIS 116 Cb 0.21 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 27.43 1bz1 h HIS 116 CO 0.02 0.56 -0.06 1.25 -0.00 0.00 0.00 177.93 179.69 1bz1 h HIS 117 N 0.54 -0.16 0.00 5.26 6.17 -0.80 -3.36 115.15 122.80 1bz1 h HIS 117 Ca 0.14 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.22 1bz1 h HIS 117 Cb 0.18 0.05 0.00 0.00 2.52 0.00 0.00 27.41 30.17 1bz1 h HIS 117 CO -0.00 0.23 -0.54 1.19 0.71 0.00 0.00 177.93 179.52 1bz1 n PHE 118 N -4.98 0.42 0.00 5.26 3.72 0.18 -5.04 117.46 117.02 1bz1 n PHE 118 Ca -0.09 0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1bz1 n PHE 118 Cb 0.24 -0.57 0.00 0.00 -0.94 0.00 0.00 39.48 38.21 1bz1 n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bz1 n GLY 119 N 1.38 3.26 0.45 1.37 0.00 0.11 -2.40 105.19 109.35 1bz1 n GLY 119 Ca 0.04 -0.05 0.26 0.00 0.00 0.00 0.00 46.02 46.27 1bz1 n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1bz1 h LYS 120 N 0.00 0.11 0.00 1.61 3.64 -1.96 0.80 116.57 120.77 1bz1 h LYS 120 Ca 0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1bz1 h LYS 120 Cb 0.00 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1bz1 h LYS 120 CO 0.00 0.07 -0.12 0.93 -2.27 0.00 0.00 179.45 178.07 1bz1 h GLU 121 N 0.12 0.00 -3.90 1.90 5.08 -1.87 -3.30 114.58 112.60 1bz1 h GLU 121 Ca 0.44 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 58.06 1bz1 h GLU 121 Cb 1.56 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.68 1bz1 h GLU 121 CO -0.06 0.12 2.17 0.34 -1.00 0.00 0.00 179.01 180.58 1bz1 n PHE 122 N -3.50 3.43 -1.37 4.33 7.35 0.27 -4.93 117.46 123.04 1bz1 n PHE 122 Ca -0.01 -2.91 -0.30 0.00 -0.76 0.00 0.00 57.45 53.47 1bz1 n PHE 122 Cb 0.27 -2.14 0.11 0.00 0.35 0.00 0.00 39.48 38.07 1bz1 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1bz1 s THR 123 N 1.32 2.85 0.21 -2.13 -4.23 -1.25 -4.70 115.64 107.72 1bz1 s THR 123 Ca 0.42 0.28 -0.11 0.00 -1.18 0.00 0.00 61.69 61.10 1bz1 s THR 123 Cb 0.09 -2.88 0.21 0.00 1.34 0.00 0.00 72.50 71.25 1bz1 s THR 123 CO -0.01 -0.36 1.65 -0.65 -0.54 0.00 0.00 174.62 174.71 1bz1 h PRO 124 N -1.33 0.08 -0.37 3.99 0.11 -1.93 0.79 132.00 133.35 1bz1 h PRO 124 Ca -0.48 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 1bz1 h PRO 124 Cb 1.28 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1bz1 h PRO 124 CO 0.57 0.05 0.00 -1.35 -0.21 0.00 0.00 178.00 177.06 1bz1 h PRO 125 N 0.08 0.58 -0.23 1.05 0.11 -1.99 -1.03 132.00 130.57 1bz1 h PRO 125 Ca 0.32 -0.13 -0.07 0.00 0.11 0.00 0.00 66.00 66.24 1bz1 h PRO 125 Cb 0.53 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 1bz1 h PRO 125 CO -0.57 0.60 -0.11 0.28 -0.21 0.00 0.00 178.00 177.99 1bz1 h VAL 126 N 0.55 1.30 -0.27 3.15 2.07 -1.54 -2.22 116.25 119.30 1bz1 h VAL 126 Ca 0.12 -1.19 0.04 0.00 0.82 0.00 0.00 66.70 66.48 1bz1 h VAL 126 Cb 0.35 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1bz1 h VAL 126 CO 0.01 0.37 0.05 -0.61 0.02 0.00 0.00 177.57 177.41 1bz1 h GLN 127 N 0.18 0.15 -0.95 1.57 4.15 -0.65 -0.94 115.11 118.63 1bz1 h GLN 127 Ca 0.05 -0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.58 1bz1 h GLN 127 Cb 0.61 -0.03 -0.08 0.00 0.21 0.00 0.00 27.48 28.19 1bz1 h GLN 127 CO 0.03 0.10 0.58 0.00 -1.93 0.00 0.00 178.83 177.61 1bz1 h ALA 128 N 1.19 1.42 -0.31 3.38 0.00 -1.12 0.28 119.26 124.11 1bz1 h ALA 128 Ca 0.12 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1bz1 h ALA 128 Cb 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1bz1 h ALA 128 CO -0.16 0.17 -0.03 0.00 0.00 0.00 0.00 179.25 179.23 1bz1 h ALA 129 N 1.52 0.42 -0.33 0.00 0.00 -0.76 -2.50 119.26 117.62 1bz1 h ALA 129 Ca 0.47 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1bz1 h ALA 129 Cb 0.48 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1bz1 h ALA 129 CO -0.27 0.20 0.00 1.88 0.00 0.00 0.00 179.25 181.06 1bz1 h TYR 130 N 0.36 0.52 -0.31 0.00 0.05 -0.31 -2.06 116.97 115.22 1bz1 h TYR 130 Ca 0.09 -0.05 -0.07 0.00 0.05 0.00 0.00 58.73 58.74 1bz1 h TYR 130 Cb 0.49 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 1bz1 h TYR 130 CO 0.04 0.51 -0.12 1.96 -1.05 0.00 0.00 178.16 179.51 1bz1 h GLN 131 N 0.49 0.53 -0.26 4.88 1.08 -0.21 -0.35 115.11 121.26 1bz1 h GLN 131 Ca 0.11 -0.15 -0.15 0.00 -1.45 0.00 0.00 58.65 57.00 1bz1 h GLN 131 Cb 0.31 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1bz1 h GLN 131 CO 0.01 0.64 -0.45 0.87 -0.95 0.00 0.00 178.83 178.95 1bz1 h LYS 132 N 0.49 0.68 0.17 1.46 1.57 -0.95 -2.59 116.57 117.39 1bz1 h LYS 132 Ca 0.09 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 1bz1 h LYS 132 Cb 0.50 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1bz1 h LYS 132 CO 0.03 0.99 -0.08 0.28 -0.57 0.00 0.00 179.45 180.10 1bz1 h VAL 133 N 0.55 0.94 -0.86 0.50 2.07 -0.98 -2.07 116.25 116.40 1bz1 h VAL 133 Ca 0.03 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 1bz1 h VAL 133 Cb 1.00 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 32.02 1bz1 h VAL 133 CO 0.09 0.13 0.52 -0.37 0.02 0.00 0.00 177.57 177.97 1bz1 h VAL 134 N -0.51 1.24 -0.67 2.57 -1.51 -1.12 -0.91 116.25 115.33 1bz1 h VAL 134 Ca -0.02 -0.50 -0.03 0.00 -1.23 0.00 0.00 66.70 64.91 1bz1 h VAL 134 Cb 0.39 0.02 -0.03 0.00 -2.13 0.00 0.00 31.29 29.54 1bz1 h VAL 134 CO 0.04 0.24 0.29 0.00 -1.23 0.00 0.00 177.57 176.92 1bz1 h ALA 135 N 1.40 1.25 -0.16 5.19 0.00 -1.46 -0.43 119.26 125.04 1bz1 h ALA 135 Ca 0.31 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1bz1 h ALA 135 Cb -0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1bz1 h ALA 135 CO -0.06 0.56 0.05 0.78 0.00 0.00 0.00 179.25 180.58 1bz1 h GLY 136 N 1.04 0.26 0.88 0.00 0.00 -0.68 -1.31 103.07 103.26 1bz1 h GLY 136 Ca 0.23 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 1bz1 h GLY 136 CO -0.02 0.15 0.02 -2.08 0.00 0.00 0.00 176.54 174.61 1bz1 h VAL 137 N 0.07 1.11 -0.75 4.60 2.07 -1.07 0.29 116.25 122.57 1bz1 h VAL 137 Ca 0.05 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.28 1bz1 h VAL 137 Cb 0.24 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 1bz1 h VAL 137 CO -0.00 0.09 0.46 0.00 0.02 0.00 0.00 177.57 178.14 1bz1 h ALA 138 N 0.89 0.99 -0.50 1.67 0.00 -1.02 -0.51 119.26 120.77 1bz1 h ALA 138 Ca 0.02 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1bz1 h ALA 138 Cb 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1bz1 h ALA 138 CO -0.00 0.23 0.05 -0.91 0.00 0.00 0.00 179.25 178.63 1bz1 h ASN 139 N 0.89 0.82 -0.83 0.00 2.35 -0.97 -1.76 115.58 116.07 1bz1 h ASN 139 Ca 0.31 -0.28 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1bz1 h ASN 139 Cb 0.06 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.17 1bz1 h ASN 139 CO -0.13 0.89 0.51 0.00 -1.65 0.00 0.00 177.43 177.05 1bz1 h ALA 140 N 0.96 1.06 0.00 -0.83 0.00 0.13 -2.63 119.26 117.95 1bz1 h ALA 140 Ca 0.15 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1bz1 h ALA 140 Cb 0.44 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1bz1 h ALA 140 CO 0.01 0.52 -0.36 -0.07 0.00 0.00 0.00 179.25 179.36 1bz1 h LEU 141 N 1.14 0.00 -0.14 0.00 3.38 -0.82 -3.14 115.31 115.73 1bz1 h LEU 141 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1bz1 h LEU 141 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1bz1 h LEU 141 CO -0.06 0.36 -0.44 0.00 0.09 0.00 0.00 178.44 178.39 1bz1 n ALA 142 N -2.28 3.43 -0.27 1.53 0.00 -0.69 -4.46 120.51 117.77 1bz1 n ALA 142 Ca -0.00 -0.37 0.06 0.00 0.00 0.00 0.00 53.44 53.13 1bz1 n ALA 142 Cb 0.51 -1.12 0.20 0.00 0.00 0.00 0.00 19.45 19.04 1bz1 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1bz1 h HIS 143 N 0.35 0.62 -0.46 0.00 6.17 -1.42 -2.46 115.15 117.95 1bz1 h HIS 143 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1bz1 h HIS 143 Cb 0.50 -0.16 0.00 0.00 2.52 0.00 0.00 27.41 30.28 1bz1 h HIS 143 CO 0.00 0.12 0.00 1.63 0.71 0.00 0.00 177.93 180.39 1bz1 n LYS 144 N -4.94 3.03 -2.30 5.26 4.76 -1.26 -4.95 118.16 117.76 1bz1 n LYS 144 Ca 0.15 -2.06 -0.39 0.00 -2.87 0.00 0.00 58.31 53.15 1bz1 n LYS 144 Cb 0.41 -1.75 -0.02 0.00 -1.84 0.00 0.00 35.03 31.83 1bz1 n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1bz1 s TYR 145 N -1.80 3.16 0.00 2.13 1.51 -0.93 -4.73 117.35 116.69 1bz1 s TYR 145 Ca 0.37 1.56 0.00 0.00 -1.01 0.00 0.00 57.07 57.99 1bz1 s TYR 145 Cb 0.24 -3.41 0.00 0.00 -0.11 0.00 0.00 41.96 38.68 1bz1 s TYR 145 CO 0.17 -1.25 0.00 -2.39 -1.11 0.00 0.00 175.55 170.96