#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z5f h TRP 3 N 0.00 0.00 0.00 -0.67 -0.00 -1.88 0.90 115.95 114.30 1z5f h TRP 3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 1z5f h TRP 3 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.16 1z5f h TRP 3 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 178.44 178.83 1z5f n GLU 4 N -4.00 0.00 -0.23 2.65 4.71 -1.26 -1.00 120.64 121.51 1z5f n GLU 4 Ca 0.24 0.00 0.03 0.00 -0.01 0.00 0.00 57.16 57.42 1z5f n GLU 4 Cb 1.24 -0.86 0.14 0.00 -1.01 0.00 0.00 31.44 30.95 1z5f n GLU 4 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1z5f h THR 5 N 0.00 0.45 -0.38 2.62 1.03 -1.93 1.67 112.91 116.38 1z5f h THR 5 Ca 0.00 -0.05 0.11 0.00 -0.01 0.00 0.00 66.41 66.46 1z5f h THR 5 Cb 0.00 0.29 -0.02 0.00 -1.07 0.00 0.00 68.15 67.35 1z5f h THR 5 CO 0.00 0.03 0.43 0.15 -0.01 0.00 0.00 175.52 176.12 1z5f h PHE 6 N 0.15 0.00 0.00 0.00 3.04 -0.90 1.04 116.94 120.27 1z5f h PHE 6 Ca 0.37 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.32 1z5f h PHE 6 Cb 0.63 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.14 1z5f h PHE 6 CO -0.35 0.00 -0.96 0.94 -2.02 0.00 0.00 178.31 175.92 1z5f n GLN 7 N -3.67 0.55 -0.10 1.11 0.00 0.55 -3.25 117.38 112.58 1z5f n GLN 7 Ca 0.07 0.11 -0.20 0.00 -0.00 0.00 0.00 57.00 56.97 1z5f n GLN 7 Cb 0.60 -1.80 -0.10 0.00 0.00 0.00 0.00 30.24 28.93 1z5f n GLN 7 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1z5f n LYS 8 N -2.57 0.55 -0.08 3.69 5.02 0.34 -3.84 118.16 121.27 1z5f n LYS 8 Ca 0.00 0.56 -0.15 0.00 -2.02 0.00 0.00 58.31 56.71 1z5f n LYS 8 Cb 0.53 -1.73 -0.10 0.00 -0.02 0.00 0.00 35.03 33.71 1z5f n LYS 8 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1z5f h LYS 9 N -1.00 0.00 0.00 1.97 2.10 -1.10 -3.36 116.57 115.18 1z5f h LYS 9 Ca -0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 1z5f h LYS 9 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1z5f h LYS 9 CO -0.20 0.78 0.00 0.45 -2.00 0.00 0.00 179.45 178.48 1z5f h HIS 10 N -1.00 0.00 -4.02 0.07 3.86 -1.68 -3.44 115.15 108.93 1z5f h HIS 10 Ca -0.16 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.39 1z5f h HIS 10 Cb 0.99 0.00 -0.23 0.00 1.06 0.00 0.00 27.41 29.22 1z5f h HIS 10 CO 0.11 0.00 -0.86 -0.51 0.86 0.00 0.00 177.93 177.52 1z5f s LEU 11 N -4.70 2.27 0.00 2.43 1.02 -1.21 0.50 118.68 118.98 1z5f s LEU 11 Ca 0.04 -0.68 0.00 0.00 0.02 0.00 0.00 54.13 53.51 1z5f s LEU 11 Cb 0.09 -1.15 -0.00 0.00 0.02 0.00 0.00 46.19 45.15 1z5f s LEU 11 CO 0.42 0.17 0.00 1.07 0.02 0.00 0.00 176.35 178.04 1z5f n THR 12 N 1.22 0.00 -0.46 5.49 5.66 -1.10 -4.51 114.28 120.57 1z5f n THR 12 Ca -0.18 -0.04 0.04 0.00 -3.05 0.00 0.00 64.05 60.82 1z5f n THR 12 Cb 0.53 0.02 0.06 0.00 -1.55 0.00 0.00 70.33 69.38 1z5f n THR 12 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1z5f n ASP 13 N -2.26 2.13 -3.75 1.09 8.00 -1.26 -4.38 116.55 116.13 1z5f n ASP 13 Ca -0.00 -2.45 -0.13 0.00 0.71 0.00 0.00 54.79 52.92 1z5f n ASP 13 Cb 0.01 -0.18 -0.08 0.00 -0.02 0.00 0.00 41.12 40.85 1z5f n ASP 13 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1z5f s THR 14 N -1.78 0.07 -0.54 -3.53 -1.32 -1.26 -5.01 115.64 102.27 1z5f s THR 14 Ca 0.13 -0.56 0.25 0.00 -1.21 0.00 0.00 61.69 60.31 1z5f s THR 14 Cb 0.12 -0.79 0.28 0.00 -1.51 0.00 0.00 72.50 70.60 1z5f s THR 14 CO 0.01 -0.31 1.76 0.11 -2.21 0.00 0.00 174.62 173.98 1z5f h LYS 15 N 3.49 0.00 -2.20 7.08 1.57 -1.96 -3.30 116.57 121.25 1z5f h LYS 15 Ca -0.31 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.88 1z5f h LYS 15 Cb 1.19 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 33.08 1z5f h LYS 15 CO 0.43 0.00 -0.66 1.63 -0.57 0.00 0.00 179.45 180.27 1z5f n LYS 16 N -2.39 2.55 -0.73 3.15 4.01 -1.26 -4.50 118.16 118.99 1z5f n LYS 16 Ca 0.04 -4.58 -0.33 0.00 -0.51 0.00 0.00 58.31 52.93 1z5f n LYS 16 Cb 0.35 -2.16 0.15 0.00 -0.51 0.00 0.00 35.03 32.86 1z5f n LYS 16 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 1z5f n VAL 17 N 0.55 0.00 -2.59 -0.18 0.24 -1.24 -4.84 118.33 110.26 1z5f n VAL 17 Ca 0.29 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.34 61.92 1z5f n VAL 17 Cb 0.42 -0.59 0.01 0.00 -1.47 0.00 0.00 33.84 32.21 1z5f n VAL 17 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1z5f n LYS 18 N -1.78 4.60 -0.23 7.34 2.85 -1.26 -4.83 118.16 124.86 1z5f n LYS 18 Ca 0.03 -4.19 0.22 0.00 -1.05 0.00 0.00 58.31 53.32 1z5f n LYS 18 Cb 0.59 -2.60 0.39 0.00 -0.65 0.00 0.00 35.03 32.76 1z5f n LYS 18 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1z5f h ASP 20 N 0.00 0.38 0.00 0.00 3.58 -1.91 -0.92 116.42 117.55 1z5f h ASP 20 Ca 0.56 0.18 -0.32 0.00 0.42 0.00 0.00 57.03 57.86 1z5f h ASP 20 Cb 1.53 0.15 -0.06 0.00 1.72 0.00 0.00 39.33 42.67 1z5f h ASP 20 CO -0.47 -0.08 -2.22 0.52 -2.88 0.00 0.00 179.24 174.12 1z5f n VAL 21 N -5.07 1.22 0.00 2.25 0.31 0.36 -2.11 118.33 115.29 1z5f n VAL 21 Ca 0.27 -0.60 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1z5f n VAL 21 Cb 0.81 -0.94 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 1z5f n VAL 21 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1z5f n GLU 22 N -2.91 0.00 0.00 5.55 2.13 -0.19 -0.79 120.64 124.44 1z5f n GLU 22 Ca -0.34 0.24 0.00 0.00 0.66 0.00 0.00 57.16 57.72 1z5f n GLU 22 Cb 0.98 -1.57 0.00 0.00 0.27 0.00 0.00 31.44 31.12 1z5f n GLU 22 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1z5f n MET 23 N -1.20 0.00 0.00 5.31 2.81 -0.40 -4.71 117.12 118.93 1z5f n MET 23 Ca 0.00 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 55.96 1z5f n MET 23 Cb 0.07 -0.55 0.42 0.00 -0.71 0.00 0.00 33.22 32.46 1z5f n MET 23 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1z5f n ALA 24 N -2.27 2.30 -1.00 3.04 0.00 -0.90 0.10 120.51 121.78 1z5f n ALA 24 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1z5f n ALA 24 Cb 0.24 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1z5f n ALA 24 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1z5f n LYS 25 N -0.81 0.72 -0.01 0.00 5.02 0.03 -4.42 118.16 118.69 1z5f n LYS 25 Ca 0.11 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.50 1z5f n LYS 25 Cb 0.05 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 34.91 1z5f n LYS 25 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1z5f n ALA 26 N -2.90 3.37 1.19 7.82 0.00 -1.26 -3.17 120.51 125.56 1z5f n ALA 26 Ca 0.00 -0.52 0.13 0.00 0.00 0.00 0.00 53.44 53.05 1z5f n ALA 26 Cb 0.00 -0.72 0.26 0.00 0.00 0.00 0.00 19.45 18.99 1z5f n ALA 26 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1z5f n LEU 27 N -1.98 1.78 -0.02 0.00 -0.00 -1.26 -4.39 117.00 111.13 1z5f n LEU 27 Ca -0.01 -0.59 -0.04 0.00 -0.00 0.00 0.00 56.01 55.37 1z5f n LEU 27 Cb 0.47 -0.04 -0.02 0.00 -0.00 0.00 0.00 43.42 43.83 1z5f n LEU 27 CO 0.43 0.31 -0.64 0.49 -0.00 0.00 0.00 177.39 177.98 1z5f n PHE 28 N 0.09 0.00 -2.52 1.47 3.72 -1.26 -5.05 117.46 113.91 1z5f n PHE 28 Ca 0.13 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.51 1z5f n PHE 28 Cb 0.43 -0.15 0.01 0.00 -0.94 0.00 0.00 39.48 38.82 1z5f n PHE 28 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1z5f n ASP 29 N -2.89 -2.29 -3.40 4.37 8.00 -1.06 -4.16 116.55 115.12 1z5f n ASP 29 Ca -0.08 -0.05 -0.14 0.00 0.71 0.00 0.00 54.79 55.24 1z5f n ASP 29 Cb 0.57 -0.94 0.01 0.00 -0.02 0.00 0.00 41.12 40.74 1z5f n ASP 29 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1z5f n LYS 31 N -2.55 3.11 0.00 0.00 4.76 -1.25 -4.92 118.16 117.31 1z5f n LYS 31 Ca -0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 1z5f n LYS 31 Cb 0.58 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.77 1z5f n LYS 31 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1z5f n LYS 32 N 0.00 0.00 -3.96 1.97 2.85 -1.26 -5.01 118.16 112.74 1z5f n LYS 32 Ca 0.00 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.07 1z5f n LYS 32 Cb 0.00 -0.48 -0.16 0.00 -0.65 0.00 0.00 35.03 33.74 1z5f n LYS 32 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1z5f s THR 33 N -1.00 0.29 0.03 0.58 2.01 -1.26 -0.70 115.64 115.59 1z5f s THR 33 Ca 0.00 0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.04 1z5f s THR 33 Cb 0.00 -0.38 -0.02 0.00 0.01 0.00 0.00 72.50 72.10 1z5f s THR 33 CO 0.00 0.18 -0.01 0.20 -0.69 0.00 0.00 174.62 174.30 1z5f s ASN 34 N 1.16 0.30 0.07 3.53 -0.87 -1.05 -4.98 114.94 113.10 1z5f s ASN 34 Ca -0.08 -0.63 0.02 0.00 -1.57 0.00 0.00 52.86 50.61 1z5f s ASN 34 Cb -0.14 0.14 -0.03 0.00 -0.02 0.00 0.00 41.25 41.20 1z5f s ASN 34 CO -0.02 -0.40 -0.08 -0.89 -2.57 0.00 0.00 177.10 173.15 1z5f s THR 35 N -2.20 0.65 0.32 1.60 2.01 -1.26 -0.47 115.64 116.28 1z5f s THR 35 Ca -0.09 -1.45 -0.10 0.00 0.31 0.00 0.00 61.69 60.37 1z5f s THR 35 Cb -0.04 -1.08 0.01 0.00 0.01 0.00 0.00 72.50 71.40 1z5f s THR 35 CO -0.04 -0.57 0.57 -0.36 -0.69 0.00 0.00 174.62 173.53 1z5f s PHE 36 N -2.28 0.55 -0.04 4.92 0.08 -0.73 -4.71 117.98 115.77 1z5f s PHE 36 Ca -0.00 -0.95 0.05 0.00 0.12 0.00 0.00 56.93 56.15 1z5f s PHE 36 Cb -0.04 0.27 -0.01 0.00 -0.57 0.00 0.00 43.02 42.68 1z5f s PHE 36 CO -0.01 -1.21 -0.21 0.42 -0.10 0.00 0.00 175.22 174.11 1z5f s ILE 37 N -3.19 1.68 -0.58 0.64 1.01 0.18 -3.56 121.20 117.38 1z5f s ILE 37 Ca 0.23 -0.87 -0.19 0.00 0.00 0.00 0.00 60.65 59.82 1z5f s ILE 37 Cb -0.02 -1.43 0.09 0.00 0.01 0.00 0.00 42.46 41.11 1z5f s ILE 37 CO 0.14 0.48 0.71 -0.47 0.00 0.00 0.00 174.94 175.80 1z5f s TYR 38 N -0.12 2.98 0.05 3.97 5.04 -0.97 -2.73 117.35 125.57 1z5f s TYR 38 Ca -0.02 -0.85 -0.27 0.00 -2.44 0.00 0.00 57.07 53.49 1z5f s TYR 38 Cb -0.12 -3.96 0.07 0.00 0.35 0.00 0.00 41.96 38.31 1z5f s TYR 38 CO 0.02 -1.28 0.66 0.00 -1.34 0.00 0.00 175.55 173.61 1z5f s ALA 39 N 2.80 -1.70 0.12 3.97 0.00 -1.26 -4.75 121.76 120.93 1z5f s ALA 39 Ca 0.13 0.91 -0.14 0.00 0.00 0.00 0.00 51.96 52.86 1z5f s ALA 39 Cb -0.23 0.43 -0.07 0.00 0.00 0.00 0.00 23.12 23.26 1z5f s ALA 39 CO 0.08 -0.58 0.51 -0.48 0.00 0.00 0.00 175.76 175.29 1z5f s LEU 40 N -2.01 4.36 0.20 0.00 0.05 -1.26 -4.83 118.68 115.19 1z5f s LEU 40 Ca -0.04 1.02 -0.19 0.00 0.05 0.00 0.00 54.13 54.97 1z5f s LEU 40 Cb -0.01 -3.15 0.17 0.00 -2.05 0.00 0.00 46.19 41.15 1z5f s LEU 40 CO -0.02 0.14 1.46 -2.65 -0.55 0.00 0.00 176.35 174.72 1z5f n PRO 41 N 0.94 -0.26 0.01 1.48 -0.02 -1.26 -1.10 135.00 134.79 1z5f n PRO 41 Ca -0.07 1.44 -0.10 0.00 -2.02 0.00 0.00 63.50 62.76 1z5f n PRO 41 Cb 0.52 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.83 1z5f n PRO 41 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1z5f h GLY 42 N 0.00 -0.23 2.00 -1.23 0.00 -1.98 0.20 103.07 101.84 1z5f h GLY 42 Ca 0.29 0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.87 1z5f h GLY 42 CO -0.92 -0.19 -0.10 3.21 0.00 0.00 0.00 176.54 178.53 1z5f h ARG 43 N -0.29 0.00 0.11 4.80 3.08 -1.55 0.25 114.38 120.77 1z5f h ARG 43 Ca 0.10 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1z5f h ARG 43 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1z5f h ARG 43 CO -0.28 0.10 -0.05 0.28 -1.07 0.00 0.00 179.97 178.95 1z5f h VAL 44 N 0.00 0.33 0.00 2.04 2.07 0.54 -2.53 116.25 118.70 1z5f h VAL 44 Ca -0.00 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.42 1z5f h VAL 44 Cb 0.22 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1z5f h VAL 44 CO 0.01 0.10 0.00 0.07 0.02 0.00 0.00 177.57 177.78 1z5f h LYS 45 N -1.01 0.00 -0.07 1.57 2.10 -0.64 -2.45 116.57 116.07 1z5f h LYS 45 Ca -0.01 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.39 1z5f h LYS 45 Cb 0.28 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.63 1z5f h LYS 45 CO 0.02 0.00 -0.91 0.00 -2.00 0.00 0.00 179.45 176.57 1z5f h ALA 46 N 2.00 0.21 0.00 0.07 0.00 -0.55 -2.91 119.26 118.09 1z5f h ALA 46 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1z5f h ALA 46 Cb 0.30 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1z5f h ALA 46 CO 0.00 0.67 0.00 1.28 0.00 0.00 0.00 179.25 181.20 1z5f n LEU 47 N -3.91 0.00 -0.00 0.00 4.32 -0.93 -2.14 117.00 114.34 1z5f n LEU 47 Ca -0.09 0.01 0.07 0.00 -0.02 0.00 0.00 56.01 55.97 1z5f n LEU 47 Cb 0.81 -0.01 -0.10 0.00 -1.62 0.00 0.00 43.42 42.51 1z5f n LEU 47 CO 0.54 -0.00 -0.45 0.00 -1.22 0.00 0.00 177.39 176.26 1z5f s LYS 49 N -2.77 1.75 0.00 0.00 -2.85 -0.91 -2.39 119.74 112.57 1z5f s LYS 49 Ca -0.02 1.41 0.00 0.00 -1.00 0.00 0.00 55.97 56.36 1z5f s LYS 49 Cb 0.10 -1.82 0.00 0.00 -2.06 0.00 0.00 37.83 34.05 1z5f s LYS 49 CO 0.59 -2.06 0.00 -1.71 0.10 0.00 0.00 175.35 172.27 1z5f n ASN 50 N -3.67 0.00 -4.51 0.03 2.85 -1.26 -4.95 115.26 103.75 1z5f n ASN 50 Ca 0.11 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.29 1z5f n ASN 50 Cb 0.52 -0.90 0.15 0.00 1.24 0.00 0.00 39.78 40.79 1z5f n ASN 50 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1z5f s ILE 51 N -1.89 1.96 0.00 -1.44 -1.09 -1.01 -5.08 121.20 112.66 1z5f s ILE 51 Ca 0.00 0.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.42 1z5f s ILE 51 Cb 0.00 -2.89 0.00 0.00 -1.58 0.00 0.00 42.46 37.99 1z5f s ILE 51 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 174.94 172.57 1z5f n ARG 52 N -3.72 3.18 0.00 2.79 0.00 -1.26 -4.68 116.66 112.97 1z5f n ARG 52 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 1z5f n ARG 52 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.06 1z5f n ARG 52 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1z5f n ASP 53 N 0.00 0.00 -4.63 6.15 5.75 -1.26 -1.95 116.55 120.61 1z5f n ASP 53 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.35 1z5f n ASP 53 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 1z5f n ASP 53 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1z5f s ASN 54 N -1.41 6.11 0.18 -1.12 6.03 -1.23 -3.95 114.94 119.55 1z5f s ASN 54 Ca 0.00 1.96 -0.17 0.00 -1.03 0.00 0.00 52.86 53.62 1z5f s ASN 54 Cb 0.00 -2.53 0.03 0.00 -3.03 0.00 0.00 41.25 35.72 1z5f s ASN 54 CO 0.00 -1.43 0.50 -0.89 -2.03 0.00 0.00 177.10 173.26 1z5f s THR 55 N 5.97 0.03 -0.28 0.54 2.01 -0.92 -4.96 115.64 118.03 1z5f s THR 55 Ca 0.85 -0.75 -0.18 0.00 0.31 0.00 0.00 61.69 61.92 1z5f s THR 55 Cb -0.32 -1.52 -0.02 0.00 0.01 0.00 0.00 72.50 70.65 1z5f s THR 55 CO 0.34 -0.14 0.54 1.51 -0.69 0.00 0.00 174.62 176.18 1z5f s ASP 56 N -2.86 6.44 0.40 3.53 -4.77 -1.26 -2.40 116.67 115.74 1z5f s ASP 56 Ca 0.08 0.45 0.08 0.00 -3.30 0.00 0.00 52.55 49.86 1z5f s ASP 56 Cb -0.00 -2.29 -0.02 0.00 -1.09 0.00 0.00 42.92 39.52 1z5f s ASP 56 CO -0.04 -0.35 0.40 0.68 0.70 0.00 0.00 175.17 176.56 1z5f s VAL 57 N 2.38 2.98 -0.02 2.11 -7.23 -0.16 -4.92 120.40 115.53 1z5f s VAL 57 Ca 0.22 -1.28 0.02 0.00 -1.81 0.00 0.00 61.98 59.13 1z5f s VAL 57 Cb -0.15 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 33.73 1z5f s VAL 57 CO 0.10 -0.05 -0.08 -0.22 -0.31 0.00 0.00 175.10 174.55 1z5f s LEU 58 N -4.14 1.77 0.74 1.32 1.98 -1.26 -2.47 118.68 116.62 1z5f s LEU 58 Ca 0.48 -0.16 -0.16 0.00 -2.89 0.00 0.00 54.13 51.40 1z5f s LEU 58 Cb -0.05 -0.48 0.00 0.00 0.66 0.00 0.00 46.19 46.32 1z5f s LEU 58 CO 0.29 0.05 0.81 -0.24 -1.89 0.00 0.00 176.35 175.37 1z5f n SER 59 N 3.31 -0.18 -0.20 3.68 2.88 -0.86 -4.85 113.62 117.40 1z5f n SER 59 Ca -0.18 0.61 0.13 0.00 -1.33 0.00 0.00 58.87 58.11 1z5f n SER 59 Cb 0.55 -1.34 0.67 0.00 -0.75 0.00 0.00 64.21 63.33 1z5f n SER 59 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1z5f n ARG 60 N -1.61 1.27 0.00 -1.46 0.63 -1.26 -4.77 116.66 109.46 1z5f n ARG 60 Ca 0.12 -0.40 0.00 0.00 -0.92 0.00 0.00 57.85 56.65 1z5f n ARG 60 Cb 0.50 -1.43 0.00 0.00 0.45 0.00 0.00 32.46 31.98 1z5f n ARG 60 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1z5f n ASP 61 N -0.47 0.00 -3.97 6.15 2.03 -1.26 -5.11 116.55 113.91 1z5f n ASP 61 Ca 0.19 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.41 1z5f n ASP 61 Cb 0.19 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.51 1z5f n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1z5f s ALA 62 N -1.00 0.13 -0.12 -1.67 0.00 -1.26 -2.43 121.76 115.41 1z5f s ALA 62 Ca 0.00 -0.93 -0.07 0.00 0.00 0.00 0.00 51.96 50.97 1z5f s ALA 62 Cb 0.00 0.63 0.05 0.00 0.00 0.00 0.00 23.12 23.80 1z5f s ALA 62 CO 0.00 -0.53 0.29 -0.06 0.00 0.00 0.00 175.76 175.46 1z5f s PHE 63 N -3.93 -0.39 -0.41 0.00 0.40 -0.68 -4.71 117.98 108.26 1z5f s PHE 63 Ca 0.12 0.90 -0.29 0.00 -0.60 0.00 0.00 56.93 57.06 1z5f s PHE 63 Cb 0.05 0.10 0.02 0.00 0.51 0.00 0.00 43.02 43.71 1z5f s PHE 63 CO -0.05 -0.25 1.15 -1.17 0.70 0.00 0.00 175.22 175.60 1z5f s LEU 64 N 1.20 3.74 -0.12 -0.37 0.20 -1.26 -2.55 118.68 119.51 1z5f s LEU 64 Ca -0.09 0.73 0.03 0.00 0.69 0.00 0.00 54.13 55.49 1z5f s LEU 64 Cb -0.09 -3.55 0.01 0.00 -0.43 0.00 0.00 46.19 42.13 1z5f s LEU 64 CO -0.09 -1.14 -0.21 -1.48 -0.29 0.00 0.00 176.35 173.14 1z5f s LEU 65 N 4.28 2.03 0.41 -0.68 2.34 -1.02 -2.30 118.68 123.75 1z5f s LEU 65 Ca 0.49 -0.56 -0.23 0.00 0.06 0.00 0.00 54.13 53.88 1z5f s LEU 65 Cb -0.10 -1.37 -0.09 0.00 -0.56 0.00 0.00 46.19 44.08 1z5f s LEU 65 CO 0.26 0.09 1.05 -2.16 -1.06 0.00 0.00 176.35 174.53 1z5f s PRO 66 N 0.74 4.09 -0.04 1.48 0.04 -1.23 -3.46 135.00 136.62 1z5f s PRO 66 Ca -0.10 1.50 -0.08 0.00 0.04 0.00 0.00 61.00 62.36 1z5f s PRO 66 Cb -0.16 -2.47 0.01 0.00 0.04 0.00 0.00 34.50 31.92 1z5f s PRO 66 CO 0.01 -0.20 0.20 -0.65 0.04 0.00 0.00 177.00 176.39 1z5f s GLN 67 N -2.61 0.41 -0.02 4.56 -0.21 0.48 -1.78 119.66 120.48 1z5f s GLN 67 Ca 0.59 -0.06 -0.02 0.00 0.02 0.00 0.00 55.36 55.89 1z5f s GLN 67 Cb -0.21 0.18 -0.04 0.00 1.00 0.00 0.00 33.01 33.94 1z5f s GLN 67 CO 0.27 -0.09 0.12 0.00 -2.12 0.00 0.00 175.29 173.47 1z5f s ASP 69 N -1.69 2.07 -0.18 0.00 2.15 -0.93 -2.52 116.67 115.59 1z5f s ASP 69 Ca 0.23 -0.46 -0.24 0.00 0.43 0.00 0.00 52.55 52.52 1z5f s ASP 69 Cb -0.12 -0.22 -0.02 0.00 -0.30 0.00 0.00 42.92 42.26 1z5f s ASP 69 CO 0.14 -0.33 0.77 -0.60 -0.17 0.00 0.00 175.17 174.98 1z5f s ARG 70 N 2.14 4.27 0.00 4.34 3.00 0.12 -0.72 118.95 132.10 1z5f s ARG 70 Ca 0.03 0.89 0.00 0.00 -1.00 0.00 0.00 55.73 55.65 1z5f s ARG 70 Cb -0.15 -3.57 0.00 0.00 0.00 0.00 0.00 34.95 31.23 1z5f s ARG 70 CO -0.08 -0.29 0.00 -0.89 0.00 0.00 0.00 175.30 174.04 1z5f n ILE 71 N 4.71 0.00 -3.96 4.11 2.08 -1.26 -4.96 119.36 120.07 1z5f n ILE 71 Ca 0.03 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.24 1z5f n ILE 71 Cb 0.49 0.17 -0.03 0.00 -0.75 0.00 0.00 39.64 39.52 1z5f n ILE 71 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 1z5f s LYS 72 N -1.06 1.80 0.33 0.38 2.20 -1.26 -5.13 119.74 117.00 1z5f s LYS 72 Ca 0.00 -1.37 0.00 0.00 -0.36 0.00 0.00 55.97 54.24 1z5f s LYS 72 Cb 0.00 0.51 0.00 0.00 -1.51 0.00 0.00 37.83 36.83 1z5f s LYS 72 CO 0.00 -0.78 0.00 1.28 -0.36 0.00 0.00 175.35 175.49 1z5f n LEU 73 N -0.46 -0.64 0.00 5.43 4.77 -1.26 -4.41 117.00 120.42 1z5f n LEU 73 Ca -0.03 1.44 0.00 0.00 -0.03 0.00 0.00 56.01 57.39 1z5f n LEU 73 Cb 0.61 -3.63 0.00 0.00 -2.33 0.00 0.00 43.42 38.07 1z5f n LEU 73 CO 0.24 -2.76 0.00 -0.81 -1.33 0.00 0.00 177.39 172.73 1z5f n PRO 74 N -3.79 0.00 -2.33 3.23 -0.05 -1.26 -4.59 135.00 126.21 1z5f n PRO 74 Ca -0.01 0.29 -0.33 0.00 -0.05 0.00 0.00 63.50 63.40 1z5f n PRO 74 Cb 0.53 -0.79 0.01 0.00 -0.05 0.00 0.00 33.50 33.21 1z5f n PRO 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1z5f s HIS 76 N -3.78 2.48 0.36 0.00 5.04 -1.26 -4.92 115.29 113.20 1z5f s HIS 76 Ca 0.49 -1.37 0.08 0.00 -1.54 0.00 0.00 55.06 52.72 1z5f s HIS 76 Cb 0.39 -1.74 -0.04 0.00 0.04 0.00 0.00 32.58 31.23 1z5f s HIS 76 CO -0.26 -0.68 0.22 0.71 -2.34 0.00 0.00 174.74 172.39 1z5f s TYR 77 N 1.19 2.76 0.12 3.88 1.51 -1.26 -4.40 117.35 121.15 1z5f s TYR 77 Ca 0.01 -0.39 0.05 0.00 -1.01 0.00 0.00 57.07 55.72 1z5f s TYR 77 Cb -0.14 -1.79 -0.04 0.00 -0.11 0.00 0.00 41.96 39.88 1z5f s TYR 77 CO -0.08 0.21 0.07 0.15 -1.11 0.00 0.00 175.55 174.79 1z5f s LYS 78 N -3.94 2.75 -0.14 -0.62 -0.14 0.10 -4.82 119.74 112.93 1z5f s LYS 78 Ca 0.40 -0.83 -0.22 0.00 -1.36 0.00 0.00 55.97 53.97 1z5f s LYS 78 Cb -0.03 -2.61 -0.03 0.00 -1.68 0.00 0.00 37.83 33.48 1z5f s LYS 78 CO 0.25 0.52 0.66 -1.17 -0.76 0.00 0.00 175.35 174.85 1z5f s LEU 79 N -2.65 4.22 -0.11 3.17 2.96 -1.26 -2.18 118.68 122.83 1z5f s LEU 79 Ca 0.29 0.99 -0.04 0.00 -0.22 0.00 0.00 54.13 55.14 1z5f s LEU 79 Cb -0.11 -2.97 0.06 0.00 0.50 0.00 0.00 46.19 43.67 1z5f s LEU 79 CO 0.21 -0.20 0.21 -0.55 -1.32 0.00 0.00 176.35 174.69 1z5f s SER 80 N 0.99 0.65 0.05 3.68 0.15 -0.60 -5.00 113.70 113.62 1z5f s SER 80 Ca 0.32 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.36 1z5f s SER 80 Cb -0.16 0.46 -0.03 0.00 -1.71 0.00 0.00 66.02 64.57 1z5f s SER 80 CO 0.13 -0.25 -0.04 -0.44 1.20 0.00 0.00 173.24 173.84 1z5f s SER 81 N 2.35 0.60 0.15 5.45 0.01 -1.26 -0.39 113.70 120.60 1z5f s SER 81 Ca 0.03 -0.85 -0.24 0.00 1.31 0.00 0.00 55.95 56.20 1z5f s SER 81 Cb -0.12 0.14 0.07 0.00 0.21 0.00 0.00 66.02 66.31 1z5f s SER 81 CO -0.07 -0.47 0.75 -0.94 0.41 0.00 0.00 173.24 172.91 1z5f s SER 82 N -2.50 -0.40 -0.27 2.44 1.04 -1.22 -4.97 113.70 107.82 1z5f s SER 82 Ca 0.01 -0.20 -0.08 0.00 0.48 0.00 0.00 55.95 56.17 1z5f s SER 82 Cb 0.02 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.68 1z5f s SER 82 CO -0.06 -0.96 0.10 0.42 0.98 0.00 0.00 173.24 173.71 1z5f s THR 83 N -3.57 4.36 0.11 2.02 -4.23 -1.26 -2.43 115.64 110.64 1z5f s THR 83 Ca 0.06 -0.31 -0.25 0.00 -1.18 0.00 0.00 61.69 60.01 1z5f s THR 83 Cb -0.02 -3.12 0.07 0.00 1.34 0.00 0.00 72.50 70.77 1z5f s THR 83 CO -0.05 0.23 0.62 0.21 -0.54 0.00 0.00 174.62 175.09 1z5f s ASN 84 N 1.60 -0.58 0.98 3.99 2.47 -1.06 -4.59 114.94 117.75 1z5f s ASN 84 Ca 0.05 0.15 -0.12 0.00 0.42 0.00 0.00 52.86 53.37 1z5f s ASN 84 Cb -0.16 0.58 0.18 0.00 -1.45 0.00 0.00 41.25 40.40 1z5f s ASN 84 CO 0.04 -0.89 1.09 -0.89 -3.72 0.00 0.00 177.10 172.73 1z5f s THR 85 N -3.20 2.33 0.17 -5.21 2.01 -1.02 -1.69 115.64 109.02 1z5f s THR 85 Ca -0.01 0.11 -0.11 0.00 0.31 0.00 0.00 61.69 61.98 1z5f s THR 85 Cb -0.01 -2.35 0.00 0.00 0.01 0.00 0.00 72.50 70.16 1z5f s THR 85 CO -0.08 -0.14 0.33 0.27 -0.69 0.00 0.00 174.62 174.31 1z5f s ILE 86 N -2.72 0.06 -0.11 1.82 -0.00 -1.23 0.26 121.20 119.28 1z5f s ILE 86 Ca 0.66 -1.23 0.01 0.00 -0.00 0.00 0.00 60.65 60.09 1z5f s ILE 86 Cb -0.21 -1.74 -0.02 0.00 -0.00 0.00 0.00 42.46 40.49 1z5f s ILE 86 CO 0.59 -0.28 -0.14 0.00 -0.00 0.00 0.00 174.94 175.11 1z5f s ILE 88 N 0.18 0.15 -0.21 0.00 2.07 -1.03 -0.34 121.20 122.02 1z5f s ILE 88 Ca -0.08 -1.24 -0.08 0.00 -1.41 0.00 0.00 60.65 57.84 1z5f s ILE 88 Cb -0.15 -1.04 -0.04 0.00 0.13 0.00 0.00 42.46 41.35 1z5f s ILE 88 CO 0.05 -0.68 0.09 -0.89 -1.91 0.00 0.00 174.94 171.60 1z5f s THR 89 N -2.97 4.86 0.07 4.00 2.01 0.62 -0.99 115.64 123.25 1z5f s THR 89 Ca -0.02 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.04 1z5f s THR 89 Cb 0.01 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.26 1z5f s THR 89 CO -0.06 0.40 -0.16 0.00 -0.69 0.00 0.00 174.62 174.11 1z5f n VAL 91 N 1.32 0.00 -0.32 0.00 3.14 -0.98 -2.17 118.33 119.32 1z5f n VAL 91 Ca -0.20 0.00 0.17 0.00 -2.96 0.00 0.00 64.34 61.35 1z5f n VAL 91 Cb 0.54 0.00 0.37 0.00 -1.06 0.00 0.00 33.84 33.69 1z5f n VAL 91 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 1z5f h ASN 92 N 0.00 0.38 0.00 6.55 4.21 -1.56 -3.37 115.58 121.79 1z5f h ASN 92 Ca 0.00 0.17 -0.09 0.00 1.21 0.00 0.00 56.30 57.59 1z5f h ASN 92 Cb 0.00 0.14 -0.09 0.00 -1.12 0.00 0.00 38.32 37.26 1z5f h ASN 92 CO 0.00 -0.05 0.09 0.00 -1.29 0.00 0.00 177.43 176.18 1z5f n GLN 93 N -5.06 0.31 -3.43 0.81 10.64 -1.26 -3.89 117.38 115.51 1z5f n GLN 93 Ca 0.26 -0.74 -0.10 0.00 -1.83 0.00 0.00 57.00 54.59 1z5f n GLN 93 Cb 0.77 0.01 -0.09 0.00 -0.86 0.00 0.00 30.24 30.08 1z5f n GLN 93 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1z5f s LEU 94 N -2.08 -0.59 0.02 2.61 1.02 -1.26 -4.61 118.68 113.79 1z5f s LEU 94 Ca 0.05 0.36 -0.30 0.00 0.02 0.00 0.00 54.13 54.26 1z5f s LEU 94 Cb 0.10 1.09 -0.05 0.00 0.02 0.00 0.00 46.19 47.36 1z5f s LEU 94 CO -0.02 -0.29 1.20 -2.16 0.02 0.00 0.00 176.35 175.10 1z5f s PRO 95 N 2.54 4.40 0.00 1.29 0.04 -1.26 -2.31 135.00 139.70 1z5f s PRO 95 Ca 0.09 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1z5f s PRO 95 Cb -0.15 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 30.96 1z5f s PRO 95 CO -0.15 -0.32 0.00 0.44 0.04 0.00 0.00 177.00 177.01 1z5f n ILE 96 N 4.19 0.00 -4.20 0.56 -6.64 -1.08 -3.81 119.36 108.38 1z5f n ILE 96 Ca 0.10 -0.07 -0.20 0.00 -1.77 0.00 0.00 62.75 60.81 1z5f n ILE 96 Cb 0.46 1.00 -0.16 0.00 -1.44 0.00 0.00 39.64 39.50 1z5f n ILE 96 CO 0.00 0.00 0.00 -1.00 -1.77 0.00 0.00 176.55 173.78 1z5f s HIS 97 N -0.13 0.79 -0.36 4.28 3.76 -1.10 -4.21 115.29 118.32 1z5f s HIS 97 Ca 0.00 -0.23 -0.16 0.00 -0.15 0.00 0.00 55.06 54.53 1z5f s HIS 97 Cb 0.00 -0.69 -0.00 0.00 1.11 0.00 0.00 32.58 33.00 1z5f s HIS 97 CO 0.00 -0.19 0.37 0.12 -0.85 0.00 0.00 174.74 174.19 1z5f s PHE 98 N 0.89 3.20 -0.00 1.40 5.36 -1.26 -0.27 117.98 127.29 1z5f s PHE 98 Ca -0.12 -0.11 -0.05 0.00 -0.96 0.00 0.00 56.93 55.69 1z5f s PHE 98 Cb -0.14 -2.71 -0.03 0.00 -0.34 0.00 0.00 43.02 39.80 1z5f s PHE 98 CO 0.00 -0.49 0.66 0.00 -1.46 0.00 0.00 175.22 173.94 1z5f h ALA 99 N 8.52 -0.63 -3.00 11.12 0.00 -1.01 -3.48 119.26 130.77 1z5f h ALA 99 Ca -0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1z5f h ALA 99 Cb 1.14 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1z5f h ALA 99 CO 0.71 -0.62 0.00 0.41 0.00 0.00 0.00 179.25 179.75 1z5f n GLY 100 N 0.14 1.42 3.65 0.00 0.00 -1.05 -4.99 105.19 104.35 1z5f n GLY 100 Ca -0.02 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 1z5f n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1z5f s VAL 101 N -1.71 4.18 0.00 1.61 1.01 -1.26 -3.28 120.40 120.96 1z5f s VAL 101 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1z5f s VAL 101 Cb 0.00 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.62 1z5f s VAL 101 CO 0.00 0.59 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1z5f n GLY 102 N 2.28 -1.85 3.77 4.51 0.00 0.73 -4.84 105.19 109.80 1z5f n GLY 102 Ca -0.18 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 1z5f n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1z5f s SER 103 N -4.00 6.56 0.35 1.61 1.04 -1.26 -2.67 113.70 115.33 1z5f s SER 103 Ca 0.00 2.86 -0.25 0.00 0.48 0.00 0.00 55.95 59.04 1z5f s SER 103 Cb 0.00 -2.66 -0.13 0.00 0.10 0.00 0.00 66.02 63.33 1z5f s SER 103 CO 0.00 -0.70 0.72 0.00 0.98 0.00 0.00 173.24 174.24