#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 -0.36 115.95 113.04 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 -3.77 0.00 -0.21 2.65 1.02 -1.26 -0.88 120.64 118.18 1z5f n GLU 4 Ca 0.37 0.02 0.02 0.00 -0.02 0.00 0.00 57.16 57.55 1z5f n GLU 4 Cb 1.80 -0.95 0.13 0.00 -0.02 0.00 0.00 31.44 32.40 1z5f n GLU 4 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1z5f h THR 5 N 0.00 0.56 -0.41 2.62 1.03 -1.84 1.44 112.91 116.31 1z5f h THR 5 Ca 0.00 -0.07 0.12 0.00 -0.01 0.00 0.00 66.41 66.44 1z5f h THR 5 Cb 0.00 0.32 -0.02 0.00 -1.07 0.00 0.00 68.15 67.39 1z5f h THR 5 CO 0.00 0.04 0.53 0.15 -0.01 0.00 0.00 175.52 176.23 1z5f h PHE 6 N 0.21 0.00 0.00 0.00 3.57 -1.14 1.88 116.94 121.47 1z5f h PHE 6 Ca 0.35 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.85 1z5f h PHE 6 Cb 0.55 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.29 1z5f h PHE 6 CO -0.29 0.00 -0.98 0.94 -2.23 0.00 0.00 178.31 175.75 1z5f n GLN 7 N -3.49 0.54 -0.10 1.11 0.00 0.48 -3.10 117.38 112.82 1z5f n GLN 7 Ca 0.07 0.10 -0.20 0.00 -0.00 0.00 0.00 57.00 56.98 1z5f n GLN 7 Cb 0.70 -1.78 -0.10 0.00 0.00 0.00 0.00 30.24 29.05 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 -2.53 0.55 -0.10 3.69 4.76 0.61 -3.98 118.16 121.16 1z5f n LYS 8 Ca 0.00 0.57 -0.18 0.00 -2.87 0.00 0.00 58.31 55.83 1z5f n LYS 8 Cb 0.53 -1.74 -0.09 0.00 -1.84 0.00 0.00 35.03 31.89 1z5f n LYS 8 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1z5f n LYS 9 N -4.45 0.54 0.21 1.97 2.85 0.46 -4.20 118.16 115.54 1z5f n LYS 9 Ca -0.30 0.56 0.15 0.00 -1.05 0.00 0.00 58.31 57.67 1z5f n LYS 9 Cb 0.64 -1.73 0.68 0.00 -0.65 0.00 0.00 35.03 33.96 1z5f n LYS 9 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1z5f h HIS 10 N -1.00 0.00 -4.16 5.58 3.86 -1.67 -3.43 115.15 114.33 1z5f h HIS 10 Ca -0.28 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.27 1z5f h HIS 10 Cb 1.13 0.00 -0.25 0.00 1.06 0.00 0.00 27.41 29.35 1z5f h HIS 10 CO 0.02 0.00 -0.87 -0.51 0.86 0.00 0.00 177.93 177.43 1z5f s LEU 11 N -5.23 2.21 0.00 2.43 1.02 -1.18 0.79 118.68 118.72 1z5f s LEU 11 Ca 0.01 -0.62 0.00 0.00 0.02 0.00 0.00 54.13 53.53 1z5f s LEU 11 Cb 0.09 -1.19 0.00 0.00 0.02 0.00 0.00 46.19 45.11 1z5f s LEU 11 CO 0.40 0.21 0.00 1.07 0.02 0.00 0.00 176.35 178.05 1z5f n THR 12 N 1.53 0.00 -0.01 5.49 5.66 -1.10 -4.49 114.28 121.36 1z5f n THR 12 Ca -0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1z5f n THR 12 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 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 -0.71 1.83 -3.79 1.09 9.92 -1.26 -4.61 116.55 119.01 1z5f n ASP 13 Ca 0.00 -1.84 -0.11 0.00 -0.53 0.00 0.00 54.79 52.31 1z5f n ASP 13 Cb 0.00 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.40 1z5f n ASP 13 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1z5f s THR 14 N -0.84 0.09 -0.48 -3.53 -1.32 -1.26 -5.01 115.64 103.29 1z5f s THR 14 Ca 0.00 -0.71 0.26 0.00 -1.21 0.00 0.00 61.69 60.03 1z5f s THR 14 Cb 0.00 -0.83 0.29 0.00 -1.51 0.00 0.00 72.50 70.44 1z5f s THR 14 CO 0.00 -0.39 1.76 0.07 -2.21 0.00 0.00 174.62 173.85 1z5f h LYS 15 N 3.49 0.00 -2.15 7.08 2.10 -1.96 -3.31 116.57 121.83 1z5f h LYS 15 Ca -0.31 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 57.75 1z5f h LYS 15 Cb 1.19 0.00 -0.41 0.00 -0.90 0.00 0.00 32.23 32.11 1z5f h LYS 15 CO 0.45 0.00 -0.72 1.63 -2.00 0.00 0.00 179.45 178.81 1z5f n LYS 16 N -2.43 2.15 -0.68 0.07 5.02 -1.26 -4.38 118.16 116.65 1z5f n LYS 16 Ca 0.03 -4.34 -0.32 0.00 -2.02 0.00 0.00 58.31 51.65 1z5f n LYS 16 Cb 0.32 -2.01 0.17 0.00 -0.02 0.00 0.00 35.03 33.49 1z5f n LYS 16 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1z5f n VAL 17 N 0.88 0.00 -2.90 -0.18 0.24 -1.25 -4.86 118.33 110.26 1z5f n VAL 17 Ca 0.28 -0.29 -0.42 0.00 -2.04 0.00 0.00 64.34 61.86 1z5f n VAL 17 Cb 0.44 -0.60 0.01 0.00 -1.47 0.00 0.00 33.84 32.23 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 -2.00 4.76 -0.15 7.34 2.85 -1.26 -4.86 118.16 124.84 1z5f n LYS 18 Ca 0.01 -4.59 0.14 0.00 -1.05 0.00 0.00 58.31 52.81 1z5f n LYS 18 Cb 0.62 -2.50 0.25 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 0.43 0.00 0.00 3.58 -1.90 0.52 116.42 119.06 1z5f h ASP 20 Ca 0.38 0.16 -0.31 0.00 0.42 0.00 0.00 57.03 57.68 1z5f h ASP 20 Cb 0.97 0.12 -0.06 0.00 1.72 0.00 0.00 39.33 42.09 1z5f h ASP 20 CO -0.38 -0.02 -2.18 0.52 -2.88 0.00 0.00 179.24 174.30 1z5f n VAL 21 N -5.03 1.18 0.01 2.25 0.31 0.46 -2.09 118.33 115.43 1z5f n VAL 21 Ca 0.26 -0.58 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 1z5f n VAL 21 Cb 0.77 -0.93 0.01 0.00 -0.91 0.00 0.00 33.84 32.77 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 -2.88 0.01 0.00 5.55 0.00 0.09 -0.89 120.64 122.52 1z5f n GLU 22 Ca -0.33 0.05 0.00 0.00 0.00 0.00 0.00 57.16 56.89 1z5f n GLU 22 Cb 0.97 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.91 1z5f n GLU 22 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1z5f n MET 23 N -1.05 0.00 0.00 5.31 2.81 0.13 -4.74 117.12 119.58 1z5f n MET 23 Ca 0.00 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.94 1z5f n MET 23 Cb 0.00 -0.41 0.31 0.00 -0.71 0.00 0.00 33.22 32.41 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 -2.43 2.50 -1.00 3.04 0.00 -0.89 -0.55 120.51 121.18 1z5f n ALA 24 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1z5f n ALA 24 Cb 0.22 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.67 0.42 -0.01 0.00 5.02 -0.06 -4.48 118.16 118.37 1z5f n LYS 25 Ca 0.08 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.47 1z5f n LYS 25 Cb 0.04 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 34.90 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 -2.80 3.47 1.22 7.82 0.00 -1.26 -3.39 120.51 125.56 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 0.30 0.00 0.00 0.00 0.00 19.45 19.03 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 -1.94 1.50 -0.05 0.00 -0.00 -1.26 -4.38 117.00 110.87 1z5f n LEU 27 Ca -0.01 -0.48 -0.10 0.00 -0.00 0.00 0.00 56.01 55.43 1z5f n LEU 27 Cb 0.45 -0.06 -0.03 0.00 -0.00 0.00 0.00 43.42 43.78 1z5f n LEU 27 CO 0.42 0.27 -0.83 0.49 -0.00 0.00 0.00 177.39 177.75 1z5f n PHE 28 N -0.19 0.00 -1.48 1.47 3.72 -1.26 -5.04 117.46 114.68 1z5f n PHE 28 Ca 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 1z5f n PHE 28 Cb 0.40 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 1z5f n PHE 28 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1z5f n ASP 29 N -3.37 -0.89 -3.40 4.37 2.03 -1.22 -4.30 116.55 109.76 1z5f n ASP 29 Ca -0.19 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 54.94 1z5f n ASP 29 Cb 0.64 -0.34 0.04 0.00 -0.72 0.00 0.00 41.12 40.73 1z5f n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1z5f n LYS 31 N -3.20 2.22 0.00 0.00 4.76 -1.25 -4.94 118.16 115.74 1z5f n LYS 31 Ca -0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 1z5f n LYS 31 Cb 0.59 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.78 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 -4.07 1.97 2.85 -1.26 -4.97 118.16 112.68 1z5f n LYS 32 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 1z5f n LYS 32 Cb 0.00 -0.44 -0.11 0.00 -0.65 0.00 0.00 35.03 33.82 1z5f n LYS 32 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 1z5f s THR 33 N -1.00 0.58 -0.13 0.58 -1.32 -1.26 -0.27 115.64 112.81 1z5f s THR 33 Ca 0.00 -1.11 -0.30 0.00 -1.21 0.00 0.00 61.69 59.07 1z5f s THR 33 Cb 0.00 -0.65 0.13 0.00 -1.51 0.00 0.00 72.50 70.46 1z5f s THR 33 CO 0.00 -0.38 1.00 0.21 -2.21 0.00 0.00 174.62 173.25 1z5f s ASN 34 N -1.61 -0.34 0.10 8.08 3.04 -0.83 -4.95 114.94 118.44 1z5f s ASN 34 Ca -0.09 0.26 0.05 0.00 0.04 0.00 0.00 52.86 53.12 1z5f s ASN 34 Cb -0.10 0.30 -0.04 0.00 -1.54 0.00 0.00 41.25 39.87 1z5f s ASN 34 CO 0.00 -0.38 -0.12 -0.89 -3.04 0.00 0.00 177.10 172.67 1z5f s THR 35 N -1.67 1.13 0.26 -5.21 2.01 -1.26 -0.67 115.64 110.22 1z5f s THR 35 Ca 0.01 -1.61 -0.07 0.00 0.31 0.00 0.00 61.69 60.33 1z5f s THR 35 Cb -0.01 -1.37 -0.01 0.00 0.01 0.00 0.00 72.50 71.12 1z5f s THR 35 CO -0.02 -0.44 0.38 -0.36 -0.69 0.00 0.00 174.62 173.49 1z5f s PHE 36 N -2.11 0.74 -0.05 4.92 0.08 -0.31 -4.72 117.98 116.53 1z5f s PHE 36 Ca 0.05 -1.03 0.06 0.00 0.12 0.00 0.00 56.93 56.13 1z5f s PHE 36 Cb -0.05 -0.08 -0.01 0.00 -0.57 0.00 0.00 43.02 42.31 1z5f s PHE 36 CO 0.02 -0.93 -0.23 0.42 -0.10 0.00 0.00 175.22 174.40 1z5f s ILE 37 N -3.84 1.89 -0.55 0.64 1.01 0.24 -3.29 121.20 117.28 1z5f s ILE 37 Ca 0.29 -0.97 -0.16 0.00 0.00 0.00 0.00 60.65 59.80 1z5f s ILE 37 Cb 0.01 -1.60 0.13 0.00 0.01 0.00 0.00 42.46 41.01 1z5f s ILE 37 CO 0.12 0.53 0.52 -0.47 0.00 0.00 0.00 174.94 175.64 1z5f s TYR 38 N -0.11 3.25 0.13 3.97 5.04 -0.96 -2.72 117.35 125.95 1z5f s TYR 38 Ca -0.04 -1.29 -0.25 0.00 -2.44 0.00 0.00 57.07 53.06 1z5f s TYR 38 Cb -0.13 -3.81 0.07 0.00 0.35 0.00 0.00 41.96 38.44 1z5f s TYR 38 CO 0.03 -1.03 0.76 0.00 -1.34 0.00 0.00 175.55 173.97 1z5f s ALA 39 N 1.63 -1.60 0.33 3.97 0.00 -1.26 -4.69 121.76 120.14 1z5f s ALA 39 Ca 0.04 0.44 -0.19 0.00 0.00 0.00 0.00 51.96 52.24 1z5f s ALA 39 Cb -0.29 0.71 -0.10 0.00 0.00 0.00 0.00 23.12 23.44 1z5f s ALA 39 CO 0.03 -0.84 0.82 -0.48 0.00 0.00 0.00 175.76 175.29 1z5f s LEU 40 N -2.74 4.12 0.08 0.00 0.05 -1.26 -4.91 118.68 114.03 1z5f s LEU 40 Ca 0.06 1.49 -0.30 0.00 0.05 0.00 0.00 54.13 55.43 1z5f s LEU 40 Cb -0.02 -4.10 -0.16 0.00 -2.05 0.00 0.00 46.19 39.86 1z5f s LEU 40 CO -0.06 -0.18 1.65 1.55 -0.55 0.00 0.00 176.35 178.75 1z5f h PRO 41 N 2.51 -0.64 -0.74 1.48 0.13 -1.99 -2.33 132.00 130.42 1z5f h PRO 41 Ca -0.48 0.04 0.16 0.00 -0.87 0.00 0.00 66.00 64.86 1z5f h PRO 41 Cb 1.18 0.15 -0.13 0.00 0.13 0.00 0.00 31.00 32.33 1z5f h PRO 41 CO 0.64 -0.43 -0.02 0.78 -0.23 0.00 0.00 178.00 178.74 1z5f h GLY 42 N -0.67 0.79 2.00 1.56 0.00 -1.98 0.67 103.07 105.44 1z5f h GLY 42 Ca -0.05 0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.34 1z5f h GLY 42 CO 0.05 -0.28 -0.29 -0.09 0.00 0.00 0.00 176.54 175.93 1z5f h ARG 43 N 0.09 0.00 0.14 4.80 2.43 -1.94 0.17 114.38 120.07 1z5f h ARG 43 Ca 0.40 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.56 1z5f h ARG 43 Cb 0.69 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1z5f h ARG 43 CO -0.66 0.29 -0.07 0.28 -1.51 0.00 0.00 179.97 178.30 1z5f h VAL 44 N 0.00 0.45 0.00 0.20 2.07 0.76 -2.59 116.25 117.13 1z5f h VAL 44 Ca -0.00 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.41 1z5f h VAL 44 Cb 0.54 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1z5f h VAL 44 CO 0.04 0.13 0.00 0.07 0.02 0.00 0.00 177.57 177.83 1z5f h LYS 45 N -1.00 0.00 -0.11 1.57 2.10 -0.73 -2.60 116.57 115.81 1z5f h LYS 45 Ca -0.02 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.54 1z5f h LYS 45 Cb 0.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 1z5f h LYS 45 CO 0.03 0.00 -0.28 0.00 -2.00 0.00 0.00 179.45 177.21 1z5f h ALA 46 N 2.00 0.18 0.00 0.07 0.00 -0.67 -2.75 119.26 118.09 1z5f h ALA 46 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1z5f h ALA 46 Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1z5f h ALA 46 CO 0.00 0.19 0.00 -0.11 0.00 0.00 0.00 179.25 179.33 1z5f n LEU 47 N -4.44 0.00 -0.70 0.00 7.94 -0.98 -0.07 117.00 118.75 1z5f n LEU 47 Ca -0.07 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.90 1z5f n LEU 47 Cb 0.46 -0.00 0.20 0.00 0.53 0.00 0.00 43.42 44.62 1z5f n LEU 47 CO 0.41 -0.00 0.66 0.00 -1.11 0.00 0.00 177.39 177.36 1z5f s LYS 49 N -2.20 4.29 0.00 0.00 -2.85 0.91 -3.65 119.74 116.23 1z5f s LYS 49 Ca 0.34 0.84 0.00 0.00 -1.00 0.00 0.00 55.97 56.15 1z5f s LYS 49 Cb 0.25 -3.20 0.00 0.00 -2.06 0.00 0.00 37.83 32.83 1z5f s LYS 49 CO 0.10 0.60 0.00 -1.71 0.10 0.00 0.00 175.35 174.43 1z5f n ASN 50 N 1.56 0.00 -4.51 0.03 4.05 -1.26 -4.99 115.26 110.13 1z5f n ASN 50 Ca -0.08 0.00 -0.29 0.00 0.45 0.00 0.00 54.58 54.65 1z5f n ASN 50 Cb 0.50 -0.43 0.14 0.00 1.23 0.00 0.00 39.78 41.22 1z5f n ASN 50 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1z5f s ILE 51 N -3.01 1.98 0.00 -1.44 -1.09 -1.24 -5.09 121.20 111.31 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 -2.95 0.00 0.00 -1.58 0.00 0.00 42.46 37.93 1z5f s ILE 51 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 174.94 174.25 1z5f n ARG 52 N -3.62 2.81 0.00 2.79 1.74 -1.26 -4.63 116.66 114.49 1z5f n ARG 52 Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 1z5f n ARG 52 Cb 0.60 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.04 1z5f n ARG 52 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1z5f n ASP 53 N -0.39 0.00 -4.61 0.55 5.75 -1.26 -2.37 116.55 114.23 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 -2.07 5.89 0.04 -1.12 2.20 -1.18 -3.88 114.94 114.83 1z5f s ASN 54 Ca 0.00 1.78 -0.06 0.00 -0.94 0.00 0.00 52.86 53.64 1z5f s ASN 54 Cb 0.00 -2.52 -0.01 0.00 -2.00 0.00 0.00 41.25 36.72 1z5f s ASN 54 CO 0.00 -1.63 0.10 -0.89 -2.94 0.00 0.00 177.10 171.74 1z5f s THR 55 N 6.79 0.14 -0.05 0.54 2.01 -0.91 -4.89 115.64 119.27 1z5f s THR 55 Ca 0.87 -1.16 -0.29 0.00 0.31 0.00 0.00 61.69 61.42 1z5f s THR 55 Cb -0.30 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.19 1z5f s THR 55 CO 0.34 -0.64 0.97 1.51 -0.69 0.00 0.00 174.62 176.12 1z5f s ASP 56 N -2.28 7.29 0.36 3.53 -4.77 -1.26 -2.32 116.67 117.22 1z5f s ASP 56 Ca -0.03 1.57 0.07 0.00 -3.30 0.00 0.00 52.55 50.87 1z5f s ASP 56 Cb 0.00 -2.55 -0.07 0.00 -1.09 0.00 0.00 42.92 39.21 1z5f s ASP 56 CO -0.06 -0.33 -0.03 0.68 0.70 0.00 0.00 175.17 176.13 1z5f s VAL 57 N 1.42 1.94 -0.02 2.11 -7.23 -0.40 -4.96 120.40 113.26 1z5f s VAL 57 Ca 0.49 -2.10 0.03 0.00 -1.81 0.00 0.00 61.98 58.60 1z5f s VAL 57 Cb -0.20 -2.76 -0.00 0.00 0.56 0.00 0.00 36.38 33.98 1z5f s VAL 57 CO 0.23 -0.12 -0.10 -0.22 -0.31 0.00 0.00 175.10 174.58 1z5f s LEU 58 N -3.61 1.89 1.15 1.32 1.98 -1.26 -2.42 118.68 117.73 1z5f s LEU 58 Ca 0.33 -0.19 -0.17 0.00 -2.89 0.00 0.00 54.13 51.21 1z5f s LEU 58 Cb 0.06 -0.56 0.18 0.00 0.66 0.00 0.00 46.19 46.53 1z5f s LEU 58 CO 0.16 0.10 0.36 -1.20 -1.89 0.00 0.00 176.35 173.88 1z5f n SER 59 N 3.08 -2.20 0.01 3.68 7.64 -0.94 -4.90 113.62 120.00 1z5f n SER 59 Ca -0.16 -0.15 -0.13 0.00 1.01 0.00 0.00 58.87 59.44 1z5f n SER 59 Cb 0.55 -1.06 -0.09 0.00 -1.01 0.00 0.00 64.21 62.60 1z5f n SER 59 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1z5f h ARG 60 N -2.32 -0.04 0.00 1.43 2.43 -1.98 -3.46 114.38 110.44 1z5f h ARG 60 Ca -0.57 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.60 1z5f h ARG 60 Cb 1.35 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.91 1z5f h ARG 60 CO 0.42 0.32 0.00 -0.25 -1.51 0.00 0.00 179.97 178.95 1z5f n ASP 61 N -4.94 -1.03 -3.91 -3.80 8.00 -1.26 -5.07 116.55 104.54 1z5f n ASP 61 Ca -0.08 0.37 -0.08 0.00 0.71 0.00 0.00 54.79 55.70 1z5f n ASP 61 Cb 0.20 1.12 -0.08 0.00 -0.02 0.00 0.00 41.12 42.34 1z5f n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1z5f s ALA 62 N -1.81 -0.05 -0.13 2.24 0.00 -1.26 -2.48 121.76 118.27 1z5f s ALA 62 Ca 0.00 -0.77 -0.07 0.00 0.00 0.00 0.00 51.96 51.12 1z5f s ALA 62 Cb 0.00 0.48 0.05 0.00 0.00 0.00 0.00 23.12 23.65 1z5f s ALA 62 CO 0.00 -0.49 0.31 -0.06 0.00 0.00 0.00 175.76 175.52 1z5f s PHE 63 N -3.88 -0.42 -0.41 0.00 0.40 -0.64 -4.71 117.98 108.32 1z5f s PHE 63 Ca 0.07 0.96 -0.29 0.00 -0.60 0.00 0.00 56.93 57.07 1z5f s PHE 63 Cb 0.05 0.13 0.02 0.00 0.51 0.00 0.00 43.02 43.74 1z5f s PHE 63 CO -0.10 -0.26 1.18 -1.17 0.70 0.00 0.00 175.22 175.58 1z5f s LEU 64 N 1.12 3.73 -0.15 -0.37 0.20 -1.26 -2.46 118.68 119.49 1z5f s LEU 64 Ca -0.08 0.75 0.02 0.00 0.69 0.00 0.00 54.13 55.50 1z5f s LEU 64 Cb -0.08 -3.55 0.01 0.00 -0.43 0.00 0.00 46.19 42.14 1z5f s LEU 64 CO -0.08 -1.17 -0.21 -1.48 -0.29 0.00 0.00 176.35 173.12 1z5f s LEU 65 N 4.39 2.16 0.45 -0.68 2.34 -1.02 -2.25 118.68 124.07 1z5f s LEU 65 Ca 0.50 -0.60 -0.22 0.00 0.06 0.00 0.00 54.13 53.87 1z5f s LEU 65 Cb -0.10 -1.47 -0.09 0.00 -0.56 0.00 0.00 46.19 43.97 1z5f s LEU 65 CO 0.27 0.06 1.05 -2.16 -1.06 0.00 0.00 176.35 174.50 1z5f s PRO 66 N 0.96 3.95 -0.02 1.48 0.04 -1.21 -3.56 135.00 136.65 1z5f s PRO 66 Ca -0.03 1.44 -0.09 0.00 0.04 0.00 0.00 61.00 62.35 1z5f s PRO 66 Cb -0.15 -2.29 0.01 0.00 0.04 0.00 0.00 34.50 32.11 1z5f s PRO 66 CO -0.05 -0.31 0.20 -0.65 0.04 0.00 0.00 177.00 176.23 1z5f s GLN 67 N -2.90 0.48 -0.11 4.56 -0.21 0.08 -1.16 119.66 120.39 1z5f s GLN 67 Ca 0.63 -0.19 -0.05 0.00 0.02 0.00 0.00 55.36 55.77 1z5f s GLN 67 Cb -0.19 0.21 -0.04 0.00 1.00 0.00 0.00 33.01 33.99 1z5f s GLN 67 CO 0.24 -0.11 0.08 0.00 -2.12 0.00 0.00 175.29 173.37 1z5f s ASP 69 N -0.88 1.82 0.28 0.00 1.01 -0.99 -1.97 116.67 115.94 1z5f s ASP 69 Ca 0.14 -0.22 -0.29 0.00 0.71 0.00 0.00 52.55 52.88 1z5f s ASP 69 Cb -0.12 -0.45 -0.10 0.00 1.01 0.00 0.00 42.92 43.26 1z5f s ASP 69 CO 0.03 -0.22 1.24 -0.60 0.21 0.00 0.00 175.17 175.83 1z5f s ARG 70 N 1.96 4.46 0.00 8.23 3.52 0.62 -0.40 118.95 137.34 1z5f s ARG 70 Ca 0.04 2.03 0.00 0.00 -0.13 0.00 0.00 55.73 57.67 1z5f s ARG 70 Cb -0.13 -3.15 0.00 0.00 -1.56 0.00 0.00 34.95 30.11 1z5f s ARG 70 CO -0.06 -0.07 0.00 -0.89 -0.81 0.00 0.00 175.30 173.47 1z5f n ILE 71 N 1.44 0.00 -4.09 4.11 5.41 -1.26 -4.92 119.36 120.05 1z5f n ILE 71 Ca 0.01 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.64 1z5f n ILE 71 Cb 0.43 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.30 1z5f n ILE 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1z5f s LYS 72 N -1.00 1.64 0.42 0.38 -2.85 -1.26 -5.12 119.74 111.95 1z5f s LYS 72 Ca 0.00 -1.58 0.00 0.00 -1.00 0.00 0.00 55.97 53.39 1z5f s LYS 72 Cb 0.00 0.41 0.00 0.00 -2.06 0.00 0.00 37.83 36.18 1z5f s LYS 72 CO 0.00 -0.66 0.00 1.28 0.10 0.00 0.00 175.35 176.07 1z5f n LEU 73 N -0.45 -0.81 -0.03 2.77 4.77 -1.26 -4.22 117.00 117.77 1z5f n LEU 73 Ca 0.01 1.81 -0.12 0.00 -0.03 0.00 0.00 56.01 57.68 1z5f n LEU 73 Cb 0.63 -4.57 -0.14 0.00 -2.33 0.00 0.00 43.42 37.01 1z5f n LEU 73 CO 0.28 -3.46 -0.72 -0.81 -1.33 0.00 0.00 177.39 171.35 1z5f n PRO 74 N -4.30 0.67 -3.01 3.23 -0.04 -1.26 -4.58 135.00 125.71 1z5f n PRO 74 Ca -0.02 0.24 -0.21 0.00 -0.04 0.00 0.00 63.50 63.48 1z5f n PRO 74 Cb 0.67 -1.72 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 1z5f n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1z5f s HIS 76 N -2.90 0.02 0.25 0.00 5.04 -1.26 -4.97 115.29 111.47 1z5f s HIS 76 Ca 0.42 -0.04 0.01 0.00 -1.54 0.00 0.00 55.06 53.91 1z5f s HIS 76 Cb 0.34 -0.04 -0.04 0.00 0.04 0.00 0.00 32.58 32.88 1z5f s HIS 76 CO -0.09 -0.14 0.13 0.71 -2.34 0.00 0.00 174.74 173.01 1z5f s TYR 77 N -0.66 1.42 0.09 3.88 1.51 -1.26 -4.11 117.35 118.22 1z5f s TYR 77 Ca -0.07 -1.31 0.04 0.00 -1.01 0.00 0.00 57.07 54.71 1z5f s TYR 77 Cb -0.05 -0.76 -0.04 0.00 -0.11 0.00 0.00 41.96 41.01 1z5f s TYR 77 CO 0.00 -0.51 0.05 0.21 -1.11 0.00 0.00 175.55 174.19 1z5f s LYS 78 N -4.01 2.73 -0.35 -0.62 2.36 0.46 -4.82 119.74 115.50 1z5f s LYS 78 Ca 0.38 -0.77 -0.20 0.00 -2.55 0.00 0.00 55.97 52.84 1z5f s LYS 78 Cb 0.07 -2.64 -0.00 0.00 -1.05 0.00 0.00 37.83 34.21 1z5f s LYS 78 CO 0.14 0.55 0.60 -1.17 1.55 0.00 0.00 175.35 177.03 1z5f s LEU 79 N -2.40 4.26 -0.05 5.43 0.20 -1.26 -2.33 118.68 122.52 1z5f s LEU 79 Ca 0.28 0.15 0.02 0.00 0.69 0.00 0.00 54.13 55.26 1z5f s LEU 79 Cb -0.12 -2.74 0.02 0.00 -0.43 0.00 0.00 46.19 42.92 1z5f s LEU 79 CO 0.20 -0.55 -0.08 -0.55 -0.29 0.00 0.00 176.35 175.09 1z5f s SER 80 N 1.76 1.29 0.10 3.68 0.15 -0.87 -4.98 113.70 114.83 1z5f s SER 80 Ca 0.23 -0.20 -0.05 0.00 0.70 0.00 0.00 55.95 56.63 1z5f s SER 80 Cb -0.15 -0.60 -0.02 0.00 -1.71 0.00 0.00 66.02 63.54 1z5f s SER 80 CO 0.14 -0.02 0.12 -0.94 1.20 0.00 0.00 173.24 173.74 1z5f s SER 81 N 0.82 0.24 0.11 5.45 1.04 -1.26 -0.74 113.70 119.36 1z5f s SER 81 Ca -0.12 -0.90 -0.25 0.00 0.48 0.00 0.00 55.95 55.16 1z5f s SER 81 Cb -0.15 0.31 0.07 0.00 0.10 0.00 0.00 66.02 66.36 1z5f s SER 81 CO 0.01 -0.73 0.82 -0.44 0.98 0.00 0.00 173.24 173.89 1z5f s SER 82 N -2.93 -0.35 -0.28 7.02 0.01 -1.23 -4.97 113.70 110.97 1z5f s SER 82 Ca 0.12 -0.19 -0.09 0.00 1.31 0.00 0.00 55.95 57.09 1z5f s SER 82 Cb 0.06 0.51 -0.03 0.00 0.21 0.00 0.00 66.02 66.77 1z5f s SER 82 CO -0.06 -0.87 0.14 0.42 0.41 0.00 0.00 173.24 173.28 1z5f s THR 83 N -3.41 4.77 0.08 1.44 -4.23 -1.26 -2.44 115.64 110.59 1z5f s THR 83 Ca 0.07 -0.14 -0.26 0.00 -1.18 0.00 0.00 61.69 60.18 1z5f s THR 83 Cb -0.02 -3.32 0.07 0.00 1.34 0.00 0.00 72.50 70.57 1z5f s THR 83 CO -0.05 0.21 0.63 0.54 -0.54 0.00 0.00 174.62 175.41 1z5f s ASN 84 N 1.67 -0.60 0.63 3.99 4.22 -1.03 -4.60 114.94 119.22 1z5f s ASN 84 Ca 0.06 0.25 -0.16 0.00 -2.14 0.00 0.00 52.86 50.87 1z5f s ASN 84 Cb -0.16 0.58 -0.02 0.00 1.28 0.00 0.00 41.25 42.93 1z5f s ASN 84 CO 0.07 -0.84 1.09 -0.89 -2.04 0.00 0.00 177.10 174.49 1z5f s THR 85 N -2.86 3.44 0.03 0.54 2.01 -1.03 -1.62 115.64 116.15 1z5f s THR 85 Ca -0.03 0.69 0.02 0.00 0.31 0.00 0.00 61.69 62.68 1z5f s THR 85 Cb -0.01 -3.21 -0.02 0.00 0.01 0.00 0.00 72.50 69.27 1z5f s THR 85 CO -0.05 -0.40 -0.08 0.27 -0.69 0.00 0.00 174.62 173.67 1z5f s ILE 86 N -2.35 0.56 -0.15 1.82 -4.36 -1.25 -1.24 121.20 114.23 1z5f s ILE 86 Ca 0.66 -0.87 -0.08 0.00 -0.26 0.00 0.00 60.65 60.10 1z5f s ILE 86 Cb -0.19 -0.58 -0.04 0.00 1.25 0.00 0.00 42.46 42.89 1z5f s ILE 86 CO 0.39 -0.23 0.12 0.00 0.24 0.00 0.00 174.94 175.45 1z5f s ILE 88 N -0.39 0.12 -0.16 0.00 2.07 -1.02 -1.45 121.20 120.37 1z5f s ILE 88 Ca 0.11 -0.97 -0.11 0.00 -1.41 0.00 0.00 60.65 58.27 1z5f s ILE 88 Cb -0.12 -0.92 -0.05 0.00 0.13 0.00 0.00 42.46 41.51 1z5f s ILE 88 CO 0.01 -0.54 0.20 -0.89 -1.91 0.00 0.00 174.94 171.82 1z5f s THR 89 N -2.62 5.38 -0.07 4.00 2.01 -0.91 -1.27 115.64 122.15 1z5f s THR 89 Ca -0.05 0.34 0.04 0.00 0.31 0.00 0.00 61.69 62.33 1z5f s THR 89 Cb -0.01 -3.52 0.00 0.00 0.01 0.00 0.00 72.50 68.98 1z5f s THR 89 CO -0.04 0.46 -0.18 0.00 -0.69 0.00 0.00 174.62 174.16 1z5f n VAL 91 N 3.46 0.00 -0.41 0.00 0.24 -0.66 -2.14 118.33 118.81 1z5f n VAL 91 Ca -0.20 0.00 0.33 0.00 -2.04 0.00 0.00 64.34 62.44 1z5f n VAL 91 Cb 0.52 -0.28 0.62 0.00 -1.47 0.00 0.00 33.84 33.24 1z5f n VAL 91 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 1z5f h ASN 92 N 0.00 0.28 0.00 -1.34 -0.00 -1.59 -3.34 115.58 109.60 1z5f h ASN 92 Ca 0.00 0.11 -0.06 0.00 -0.00 0.00 0.00 56.30 56.35 1z5f h ASN 92 Cb 0.00 0.09 -0.07 0.00 -0.00 0.00 0.00 38.32 38.34 1z5f h ASN 92 CO 0.00 -0.10 0.19 0.00 -0.00 0.00 0.00 177.43 177.52 1z5f n GLN 93 N -4.63 0.09 -3.49 6.67 10.64 -1.26 -4.02 117.38 121.37 1z5f n GLN 93 Ca 0.34 -0.48 -0.10 0.00 -1.83 0.00 0.00 57.00 54.92 1z5f n GLN 93 Cb 1.29 0.00 -0.09 0.00 -0.86 0.00 0.00 30.24 30.58 1z5f n GLN 93 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1z5f s LEU 94 N -1.70 -0.57 -0.07 2.61 2.96 -1.25 -4.79 118.68 115.87 1z5f s LEU 94 Ca 0.01 0.49 -0.30 0.00 -0.22 0.00 0.00 54.13 54.12 1z5f s LEU 94 Cb 0.03 1.11 -0.03 0.00 0.50 0.00 0.00 46.19 47.80 1z5f s LEU 94 CO -0.01 -0.27 1.15 -2.16 -1.32 0.00 0.00 176.35 173.74 1z5f s PRO 95 N 2.54 4.37 0.00 0.98 0.04 -1.26 -1.66 135.00 140.01 1z5f s PRO 95 Ca 0.07 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1z5f s PRO 95 Cb -0.14 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.85 1z5f s PRO 95 CO -0.14 -0.41 0.00 0.44 0.04 0.00 0.00 177.00 176.93 1z5f n ILE 96 N 4.59 0.00 -4.96 0.56 -0.00 -1.15 -3.85 119.36 114.55 1z5f n ILE 96 Ca 0.10 0.00 -0.32 0.00 -0.00 0.00 0.00 62.75 62.53 1z5f n ILE 96 Cb 0.47 0.94 -0.15 0.00 -0.00 0.00 0.00 39.64 40.89 1z5f n ILE 96 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.55 175.55 1z5f s HIS 97 N 0.00 2.68 -0.52 4.28 3.76 -1.10 -4.25 115.29 120.14 1z5f s HIS 97 Ca 0.00 -0.62 -0.15 0.00 -0.15 0.00 0.00 55.06 54.14 1z5f s HIS 97 Cb 0.00 -1.73 0.12 0.00 1.11 0.00 0.00 32.58 32.08 1z5f s HIS 97 CO 0.00 -0.16 0.46 0.12 -0.85 0.00 0.00 174.74 174.31 1z5f s PHE 98 N 0.03 3.28 0.00 1.40 5.36 -1.26 -2.14 117.98 124.65 1z5f s PHE 98 Ca -0.06 -1.35 0.00 0.00 -0.96 0.00 0.00 56.93 54.56 1z5f s PHE 98 Cb -0.15 -3.68 0.00 0.00 -0.34 0.00 0.00 43.02 38.86 1z5f s PHE 98 CO 0.05 -0.99 0.76 0.00 -1.46 0.00 0.00 175.22 173.58 1z5f n ALA 99 N 5.19 -0.24 -3.00 11.12 0.00 -0.53 -5.00 120.51 128.05 1z5f n ALA 99 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1z5f n ALA 99 Cb 0.41 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1z5f n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1z5f n GLY 100 N -0.79 2.00 3.93 0.00 0.00 -1.23 -5.04 105.19 104.07 1z5f n GLY 100 Ca 0.00 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.68 5.09 0.06 1.61 1.01 -1.26 -4.08 120.40 121.15 1z5f s VAL 101 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1z5f s VAL 101 Cb 0.00 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1z5f s VAL 101 CO 0.00 -0.53 0.00 0.61 0.00 0.00 0.00 175.10 175.18 1z5f n GLY 102 N -1.65 -1.11 3.84 4.51 0.00 -0.37 -4.74 105.19 105.66 1z5f n GLY 102 Ca -0.04 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 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 -4.58 6.20 0.51 1.61 1.04 -1.24 -2.72 113.70 114.52 1z5f s SER 103 Ca 0.00 1.58 -0.17 0.00 0.48 0.00 0.00 55.95 57.84 1z5f s SER 103 Cb 0.00 -2.50 -0.08 0.00 0.10 0.00 0.00 66.02 63.54 1z5f s SER 103 CO 0.00 -0.88 0.99 0.00 0.98 0.00 0.00 173.24 174.33