#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bzb s GLU 2 N 0.00 0.40 0.36 2.12 -6.30 -1.26 -5.05 118.70 108.97 2bzb s GLU 2 Ca 0.00 1.08 0.05 0.00 -2.50 0.00 0.00 54.97 53.60 2bzb s GLU 2 Cb 0.00 0.36 0.72 0.00 0.00 0.00 0.00 34.13 35.21 2bzb s GLU 2 CO 0.00 -0.22 1.96 0.00 0.02 0.00 0.00 175.26 177.02 2bzb h MET 3 N 7.91 0.76 0.04 4.30 -0.00 -2.05 0.23 114.93 126.13 2bzb h MET 3 Ca -0.20 -0.05 -0.00 0.00 -0.00 0.00 0.00 59.70 59.45 2bzb h MET 3 Cb 1.13 -0.17 0.00 0.00 -0.00 0.00 0.00 31.60 32.56 2bzb h MET 3 CO 0.15 0.50 -0.02 0.78 -0.00 0.00 0.00 176.91 178.32 2bzb h GLY 4 N 0.78 -0.06 0.97 -3.00 0.00 -1.98 -0.55 103.07 99.22 2bzb h GLY 4 Ca 0.31 0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.67 2bzb h GLY 4 CO -0.10 -0.02 0.38 1.46 0.00 0.00 0.00 176.54 178.26 2bzb h GLN 5 N -0.45 0.75 -0.02 4.80 4.20 -1.90 0.91 115.11 123.40 2bzb h GLN 5 Ca -0.01 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.67 2bzb h GLN 5 Cb 0.41 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 2bzb h GLN 5 CO 0.01 0.49 -0.06 1.25 -0.67 0.00 0.00 178.83 179.85 2bzb h LEU 6 N 0.77 -0.18 -0.89 1.46 7.12 -0.49 0.95 115.31 124.04 2bzb h LEU 6 Ca 0.22 0.03 -0.11 0.00 0.13 0.00 0.00 57.88 58.15 2bzb h LEU 6 Cb -0.06 0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.14 2bzb h LEU 6 CO -0.06 -0.09 -0.36 0.11 -0.13 0.00 0.00 178.44 177.91 2bzb h LYS 7 N -0.10 0.37 -0.56 1.25 1.79 -0.81 -1.62 116.57 116.88 2bzb h LYS 7 Ca 0.03 -0.17 -0.09 0.00 -2.18 0.00 0.00 60.65 58.25 2bzb h LYS 7 Cb 0.14 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 2bzb h LYS 7 CO -0.08 0.68 0.01 -0.97 -1.08 0.00 0.00 179.45 178.02 2bzb h ASN 8 N 0.31 0.96 -0.04 0.86 -1.24 -0.48 -0.25 115.58 115.70 2bzb h ASN 8 Ca 0.03 -0.30 0.01 0.00 0.71 0.00 0.00 56.30 56.75 2bzb h ASN 8 Cb 0.79 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.57 2bzb h ASN 8 CO 0.06 1.02 -0.02 0.11 -1.29 0.00 0.00 177.43 177.32 2bzb h LYS 9 N 0.87 -0.01 -0.39 6.67 1.57 -0.47 0.13 116.57 124.93 2bzb h LYS 9 Ca 0.16 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.00 2bzb h LYS 9 Cb 0.52 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.78 2bzb h LYS 9 CO 0.03 -0.01 0.07 0.82 -0.57 0.00 0.00 179.45 179.79 2bzb h ILE 10 N -0.01 0.80 -0.02 1.86 2.04 -1.12 0.31 117.51 121.36 2bzb h ILE 10 Ca 0.02 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 2bzb h ILE 10 Cb 0.05 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 2bzb h ILE 10 CO -0.05 0.04 0.01 -0.33 0.00 0.00 0.00 178.15 177.82 2bzb h GLU 11 N 0.20 0.03 -0.41 2.37 4.39 -0.72 0.10 114.58 120.53 2bzb h GLU 11 Ca 0.19 -0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.90 2bzb h GLU 11 Cb 0.22 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 2bzb h GLU 11 CO -0.25 0.07 0.25 -0.97 -1.16 0.00 0.00 179.01 176.95 2bzb h ASN 12 N -0.02 0.41 -0.32 1.42 -1.24 -0.37 0.10 115.58 115.56 2bzb h ASN 12 Ca 0.01 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.97 2bzb h ASN 12 Cb 0.05 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.00 2bzb h ASN 12 CO -0.00 0.29 0.01 0.50 -1.29 0.00 0.00 177.43 176.94 2bzb h LYS 13 N 0.51 0.56 -0.19 6.67 1.63 -0.20 0.26 116.57 125.80 2bzb h LYS 13 Ca 0.16 -0.17 0.04 0.00 -0.85 0.00 0.00 60.65 59.83 2bzb h LYS 13 Cb -0.01 -0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 31.52 2bzb h LYS 13 CO -0.07 0.68 -0.10 -0.22 -3.45 0.00 0.00 179.45 176.30 2bzb h LYS 14 N 0.36 -0.07 -0.28 1.90 3.64 -0.81 -0.83 116.57 120.48 2bzb h LYS 14 Ca 0.09 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.41 2bzb h LYS 14 Cb 0.42 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 2bzb h LYS 14 CO 0.01 -0.05 -0.10 0.87 -2.27 0.00 0.00 179.45 177.91 2bzb h LYS 15 N -0.08 0.47 -0.65 1.90 1.57 -0.51 0.12 116.57 119.40 2bzb h LYS 15 Ca 0.11 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2bzb h LYS 15 Cb 0.23 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 2bzb h LYS 15 CO -0.24 0.58 0.35 0.93 -0.57 0.00 0.00 179.45 180.50 2bzb h GLU 16 N 0.44 0.92 -0.30 3.15 5.08 0.07 -2.52 114.58 121.42 2bzb h GLU 16 Ca 0.08 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 2bzb h GLU 16 Cb 0.45 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2bzb h GLU 16 CO 0.03 0.70 -0.10 1.25 -1.00 0.00 0.00 179.01 179.88 2bzb h LEU 17 N 0.89 0.60 -0.92 1.33 7.12 -0.39 -2.84 115.31 121.10 2bzb h LEU 17 Ca 0.23 -0.38 0.06 0.00 0.13 0.00 0.00 57.88 57.91 2bzb h LEU 17 Cb 0.05 -0.16 -0.06 0.00 -0.53 0.00 0.00 40.66 39.96 2bzb h LEU 17 CO -0.04 0.84 0.59 0.40 -0.13 0.00 0.00 178.44 180.11 2bzb h ILE 18 N 0.35 1.09 -0.31 4.05 2.04 -0.65 0.13 117.51 124.20 2bzb h ILE 18 Ca 0.07 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 2bzb h ILE 18 Cb 0.60 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 2bzb h ILE 18 CO 0.03 0.20 0.11 1.56 0.00 0.00 0.00 178.15 180.05 2bzb h GLN 19 N 1.09 0.44 -0.01 2.37 4.20 -1.37 -0.17 115.11 121.65 2bzb h GLN 19 Ca 0.39 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 59.04 2bzb h GLN 19 Cb 0.13 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.82 2bzb h GLN 19 CO -0.16 0.38 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.27 2bzb h LEU 20 N 0.44 0.04 -1.59 1.46 3.38 -0.58 -1.51 115.31 116.95 2bzb h LEU 20 Ca 0.11 -0.69 -0.03 0.00 0.09 0.00 0.00 57.88 57.36 2bzb h LEU 20 Cb 0.11 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2bzb h LEU 20 CO -0.01 0.72 -0.09 -0.37 0.09 0.00 0.00 178.44 178.78 2bzb h VAL 21 N -0.64 1.13 -0.09 1.22 -1.51 -0.96 -1.91 116.25 113.49 2bzb h VAL 21 Ca -0.00 -0.55 -0.01 0.00 -1.23 0.00 0.00 66.70 64.91 2bzb h VAL 21 Cb 0.72 1.15 -0.00 0.00 -2.13 0.00 0.00 31.29 31.03 2bzb h VAL 21 CO 0.01 0.17 0.03 0.00 -1.23 0.00 0.00 177.57 176.55 2bzb h ALA 22 N 1.77 0.11 0.00 5.19 0.00 -0.97 -2.60 119.26 122.76 2bzb h ALA 22 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2bzb h ALA 22 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2bzb h ALA 22 CO 0.01 -0.30 0.00 0.07 0.00 0.00 0.00 179.25 179.03 2bzb h ARG 23 N -0.02 0.00 -0.93 0.00 0.11 -1.02 -1.07 114.38 111.46 2bzb h ARG 23 Ca 0.03 0.00 0.08 0.00 0.10 0.00 0.00 59.98 60.18 2bzb h ARG 23 Cb 0.17 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.18 2bzb h ARG 23 CO -0.00 0.00 0.58 1.25 0.10 0.00 0.00 179.97 181.90 2bzb h HIS 24 N 0.00 1.07 0.00 4.08 2.76 -0.94 -3.45 115.15 118.66 2bzb h HIS 24 Ca 0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2bzb h HIS 24 Cb 0.44 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.06 2bzb h HIS 24 CO 0.00 0.52 0.00 0.41 -1.30 0.00 0.00 177.93 177.56 2bzb n GLY 25 N -1.34 0.00 3.90 5.26 0.00 -0.75 -5.12 105.19 107.14 2bzb n GLY 25 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2bzb n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bzb s LEU 26 N 0.00 4.17 0.68 0.99 1.43 -0.48 -5.06 118.68 120.41 2bzb s LEU 26 Ca 0.00 0.63 -0.12 0.00 -1.03 0.00 0.00 54.13 53.60 2bzb s LEU 26 Cb 0.00 -3.40 0.01 0.00 0.03 0.00 0.00 46.19 42.82 2bzb s LEU 26 CO 0.00 -0.08 1.07 -1.81 0.23 0.00 0.00 176.35 175.76 2bzb s ASP 27 N -2.89 5.27 0.29 2.29 1.11 -1.26 -4.89 116.67 116.59 2bzb s ASP 27 Ca 0.42 1.75 -0.01 0.00 0.18 0.00 0.00 52.55 54.89 2bzb s ASP 27 Cb -0.11 -2.52 0.46 0.00 1.07 0.00 0.00 42.92 41.82 2bzb s ASP 27 CO 0.27 -1.52 1.94 -0.74 1.18 0.00 0.00 175.17 176.31 2bzb h HIS 28 N -0.42 1.07 -0.40 4.23 -0.00 -1.98 -0.63 115.15 117.02 2bzb h HIS 28 Ca -0.45 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 59.90 2bzb h HIS 28 Cb 1.22 -0.36 -0.02 0.00 -0.00 0.00 0.00 27.41 28.25 2bzb h HIS 28 CO 0.59 0.63 0.05 -0.44 -0.00 0.00 0.00 177.93 178.76 2bzb h ASP 29 N 1.11 0.57 -0.33 3.26 5.19 -2.00 -2.71 116.42 121.52 2bzb h ASP 29 Ca 0.34 -0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.63 2bzb h ASP 29 Cb -0.01 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.34 2bzb h ASP 29 CO -0.10 0.61 0.11 0.11 -3.12 0.00 0.00 179.24 176.85 2bzb h LYS 30 N 0.59 0.51 -0.77 3.56 1.79 -1.49 0.63 116.57 121.39 2bzb h LYS 30 Ca 0.13 -0.11 0.05 0.00 -2.18 0.00 0.00 60.65 58.54 2bzb h LYS 30 Cb 0.30 -0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 30.82 2bzb h LYS 30 CO 0.01 0.54 0.47 0.28 -1.08 0.00 0.00 179.45 179.66 2bzb h VAL 31 N 0.39 1.04 0.15 0.50 2.07 -1.18 0.25 116.25 119.47 2bzb h VAL 31 Ca 0.11 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 2bzb h VAL 31 Cb 0.23 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 2bzb h VAL 31 CO -0.00 0.16 -0.07 -0.07 0.02 0.00 0.00 177.57 177.60 2bzb h LEU 32 N 0.88 -0.17 -0.80 2.57 3.38 -1.17 -1.10 115.31 118.90 2bzb h LEU 32 Ca 0.33 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2bzb h LEU 32 Cb 0.12 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 2bzb h LEU 32 CO -0.15 0.18 0.43 -0.07 0.09 0.00 0.00 178.44 178.92 2bzb h LEU 33 N -0.55 1.01 0.14 1.67 3.38 -0.57 -2.14 115.31 118.24 2bzb h LEU 33 Ca -0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2bzb h LEU 33 Cb 0.43 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2bzb h LEU 33 CO 0.03 0.83 -0.07 0.15 0.09 0.00 0.00 178.44 179.48 2bzb h PHE 34 N 1.11 -0.17 -0.80 1.13 3.57 -0.50 -2.15 116.94 119.13 2bzb h PHE 34 Ca 0.28 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 2bzb h PHE 34 Cb 0.05 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 2bzb h PHE 34 CO 0.00 -0.04 0.45 0.66 -2.23 0.00 0.00 178.31 177.15 2bzb h SER 35 N -0.26 0.99 -0.60 0.41 4.64 -0.97 0.11 113.55 117.87 2bzb h SER 35 Ca -0.02 -0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.17 2bzb h SER 35 Cb 0.21 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.02 2bzb h SER 35 CO 0.03 0.80 0.21 0.03 -0.87 0.00 0.00 176.83 177.02 2bzb h ARG 36 N 1.11 0.91 -0.07 4.77 3.08 -1.35 -1.03 114.38 121.80 2bzb h ARG 36 Ca 0.28 -0.19 -0.12 0.00 0.07 0.00 0.00 59.98 60.02 2bzb h ARG 36 Cb 0.02 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 29.93 2bzb h ARG 36 CO -0.05 0.80 -0.44 0.22 -1.07 0.00 0.00 179.97 179.44 2bzb h ASP 37 N 0.84 0.51 -0.71 7.04 1.82 -0.98 -2.85 116.42 122.09 2bzb h ASP 37 Ca 0.20 -0.66 -0.02 0.00 -0.39 0.00 0.00 57.03 56.15 2bzb h ASP 37 Cb 0.25 -0.15 -0.03 0.00 0.68 0.00 0.00 39.33 40.08 2bzb h ASP 37 CO -0.01 1.09 0.36 0.25 -1.61 0.00 0.00 179.24 179.32 2bzb h LEU 38 N -0.03 0.94 -1.28 2.28 6.46 -0.76 -1.48 115.31 121.43 2bzb h LEU 38 Ca -0.03 -0.10 0.01 0.00 -0.12 0.00 0.00 57.88 57.64 2bzb h LEU 38 Cb 1.09 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 40.75 2bzb h LEU 38 CO 0.09 0.79 0.48 -0.78 -0.62 0.00 0.00 178.44 178.40 2bzb h ASP 39 N 1.03 0.84 0.35 1.25 3.58 -1.15 -1.73 116.42 120.59 2bzb h ASP 39 Ca 0.25 -0.02 -0.18 0.00 0.42 0.00 0.00 57.03 57.50 2bzb h ASP 39 Cb 0.09 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 2bzb h ASP 39 CO -0.03 0.61 -0.76 0.07 -2.88 0.00 0.00 179.24 176.24 2bzb h LYS 40 N 0.99 0.33 -0.38 0.28 2.10 -1.05 -2.59 116.57 116.26 2bzb h LYS 40 Ca 0.27 -0.29 -0.06 0.00 -2.00 0.00 0.00 60.65 58.57 2bzb h LYS 40 Cb -0.11 0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 31.27 2bzb h LYS 40 CO -0.06 0.95 -0.01 1.25 -2.00 0.00 0.00 179.45 179.58 2bzb h LEU 41 N 0.22 0.56 0.42 7.07 5.85 -0.78 -0.09 115.31 128.56 2bzb h LEU 41 Ca -0.03 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 2bzb h LEU 41 Cb 1.34 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2bzb h LEU 41 CO 0.13 0.64 -0.20 0.40 -0.34 0.00 0.00 178.44 179.06 2bzb h ILE 42 N 0.57 0.39 -0.69 4.05 2.04 -1.17 -2.83 117.51 119.86 2bzb h ILE 42 Ca 0.12 -0.58 0.12 0.00 1.00 0.00 0.00 64.86 65.51 2bzb h ILE 42 Cb 0.37 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 2bzb h ILE 42 CO 0.01 0.07 0.46 0.78 0.00 0.00 0.00 178.15 179.48 2bzb h ASN 43 N -0.99 0.42 -0.12 1.72 2.35 -1.35 0.77 115.58 118.39 2bzb h ASN 43 Ca -0.06 0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.73 2bzb h ASN 43 Cb 0.56 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 2bzb h ASN 43 CO 0.10 0.24 -0.02 0.50 -1.65 0.00 0.00 177.43 176.60 2bzb h LYS 44 N 0.46 0.01 0.01 0.81 3.64 -0.94 -2.39 116.57 118.18 2bzb h LYS 44 Ca 0.33 -0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.49 2bzb h LYS 44 Cb 0.64 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 2bzb h LYS 44 CO -0.10 0.01 -0.93 0.74 -2.27 0.00 0.00 179.45 176.89 2bzb h PHE 45 N 0.01 0.41 -0.17 1.91 0.04 -0.93 -3.12 116.94 115.08 2bzb h PHE 45 Ca 0.05 -0.23 -0.03 0.00 2.80 0.00 0.00 57.97 60.56 2bzb h PHE 45 Cb 0.08 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 2bzb h PHE 45 CO -0.15 1.06 -0.03 0.52 -0.60 0.00 0.00 178.31 179.11 2bzb h MET 46 N 0.14 0.26 0.00 1.51 2.86 -0.78 -3.45 114.93 115.47 2bzb h MET 46 Ca -0.06 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2bzb h MET 46 Cb 1.57 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.19 2bzb h MET 46 CO 0.15 0.31 0.00 -1.71 1.06 0.00 0.00 176.91 176.72 2bzb n ASN 47 N -4.36 0.00 -4.88 1.22 2.85 -0.91 -4.97 115.26 104.21 2bzb n ASN 47 Ca -0.00 0.00 -0.37 0.00 -0.11 0.00 0.00 54.58 54.10 2bzb n ASN 47 Cb 0.19 -0.51 -0.06 0.00 1.24 0.00 0.00 39.78 40.64 2bzb n ASN 47 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 2bzb s VAL 48 N -3.06 5.43 -0.57 3.44 -7.23 -1.26 -5.01 120.40 112.13 2bzb s VAL 48 Ca 0.00 0.24 -0.00 0.00 -1.81 0.00 0.00 61.98 60.41 2bzb s VAL 48 Cb 0.00 -3.46 0.15 0.00 0.56 0.00 0.00 36.38 33.62 2bzb s VAL 48 CO 0.00 0.57 0.36 -0.54 -0.31 0.00 0.00 175.10 175.17 2bzb s LYS 49 N -1.18 2.31 0.67 4.82 1.02 -1.26 -4.87 119.74 121.25 2bzb s LYS 49 Ca 0.18 -2.51 -0.17 0.00 0.02 0.00 0.00 55.97 53.49 2bzb s LYS 49 Cb -0.13 -3.57 -0.02 0.00 -0.52 0.00 0.00 37.83 33.60 2bzb s LYS 49 CO 0.07 -1.14 0.96 -3.47 -0.92 0.00 0.00 175.35 170.86 2bzb n ASP 50 N 3.42 0.60 -1.95 2.83 2.03 -1.26 -4.83 116.55 117.39 2bzb n ASP 50 Ca 0.06 0.73 -0.03 0.00 0.52 0.00 0.00 54.79 56.07 2bzb n ASP 50 Cb 0.36 -1.40 -0.04 0.00 -0.72 0.00 0.00 41.12 39.33 2bzb n ASP 50 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2bzb n LYS 51 N -1.47 0.72 -1.83 -0.67 2.85 -1.26 -4.72 118.16 111.77 2bzb n LYS 51 Ca 0.13 -0.21 -0.42 0.00 -1.05 0.00 0.00 58.31 56.76 2bzb n LYS 51 Cb 0.49 -1.46 0.00 0.00 -0.65 0.00 0.00 35.03 33.41 2bzb n LYS 51 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 2bzb n VAL 52 N 2.16 3.60 -0.97 0.58 0.24 -1.26 -4.88 118.33 117.80 2bzb n VAL 52 Ca 0.09 -3.24 0.00 0.00 -2.04 0.00 0.00 64.34 59.15 2bzb n VAL 52 Cb 0.34 -2.57 0.00 0.00 -1.47 0.00 0.00 33.84 30.15 2bzb n VAL 52 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2bzb n HIS 53 N 5.76 0.00 -1.90 6.34 1.44 -1.26 -4.90 115.22 120.69 2bzb n HIS 53 Ca 0.50 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.86 2bzb n HIS 53 Cb 0.39 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.45 2bzb n HIS 53 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2bzb n LYS 54 N 0.00 1.92 -3.56 -1.40 4.01 -1.26 -4.89 118.16 112.98 2bzb n LYS 54 Ca 0.00 -2.46 -0.36 0.00 -0.51 0.00 0.00 58.31 54.98 2bzb n LYS 54 Cb 0.00 -3.46 -0.06 0.00 -0.51 0.00 0.00 35.03 31.00 2bzb n LYS 54 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2bzb s LEU 55 N 6.89 4.41 -1.26 -0.35 1.43 -1.26 -4.98 118.68 123.56 2bzb s LEU 55 Ca 0.62 0.85 -0.08 0.00 -1.03 0.00 0.00 54.13 54.48 2bzb s LEU 55 Cb 0.05 -2.75 -0.07 0.00 0.03 0.00 0.00 46.19 43.45 2bzb s LEU 55 CO 0.11 0.26 2.96 -0.62 0.23 0.00 0.00 176.35 179.28 2bzb n GLU 56 N 1.38 3.54 0.02 1.70 1.02 -1.26 -3.96 120.64 123.07 2bzb n GLU 56 Ca -0.11 -2.25 0.11 0.00 -0.02 0.00 0.00 57.16 54.89 2bzb n GLU 56 Cb 0.52 -2.61 -0.09 0.00 -0.02 0.00 0.00 31.44 29.24 2bzb n GLU 56 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2bzb n HIS 57 N 2.94 0.20 -3.84 -0.32 -0.00 -1.26 -4.83 115.22 108.10 2bzb n HIS 57 Ca 0.69 0.06 -0.35 0.00 0.46 0.00 0.00 57.72 58.58 2bzb n HIS 57 Cb 0.36 -0.48 -0.09 0.00 -0.12 0.00 0.00 29.99 29.66 2bzb n HIS 57 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2bzb s HIS 58 N -3.35 3.34 -1.93 1.57 5.65 -1.25 -4.98 115.29 114.34 2bzb s HIS 58 Ca -0.02 0.22 0.28 0.00 0.25 0.00 0.00 55.06 55.79 2bzb s HIS 58 Cb 0.14 -2.13 1.06 0.00 -1.18 0.00 0.00 32.58 30.47 2bzb s HIS 58 CO 0.86 0.23 1.75 0.72 -0.65 0.00 0.00 174.74 177.65 2bzb n HIS 59 N 3.54 0.00 -3.89 3.88 -0.00 -1.26 -4.81 115.22 112.68 2bzb n HIS 59 Ca -0.16 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.24 2bzb n HIS 59 Cb 0.52 -0.10 -0.04 0.00 -0.00 0.00 0.00 29.99 30.37 2bzb n HIS 59 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2bzb s HIS 60 N -2.33 3.52 0.44 4.41 3.76 -1.26 -5.08 115.29 118.76 2bzb s HIS 60 Ca 0.31 0.31 -0.21 0.00 -0.15 0.00 0.00 55.06 55.32 2bzb s HIS 60 Cb 0.20 -1.80 -0.10 0.00 1.11 0.00 0.00 32.58 31.99 2bzb s HIS 60 CO 0.45 0.58 0.97 -1.01 -0.85 0.00 0.00 174.74 174.89 2bzb s HIS 61 N -1.49 3.23 -1.55 1.40 0.09 -1.26 -5.09 115.29 110.61 2bzb s HIS 61 Ca 0.34 1.60 0.12 0.00 -0.00 0.00 0.00 55.06 57.13 2bzb s HIS 61 Cb -0.13 -2.91 0.10 0.00 -0.00 0.00 0.00 32.58 29.64 2bzb s HIS 61 CO 0.26 -0.30 0.89 0.72 -0.00 0.00 0.00 174.74 176.31