#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 0.06 0.00 1.24 -0.00 -1.90 0.18 115.95 115.54 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 -0.02 0.00 0.00 -0.00 0.00 0.00 29.16 29.14 1z5f h TRP 3 CO 0.00 0.01 0.00 0.39 -0.00 0.00 0.00 178.44 178.84 1z5f n GLU 4 N -4.25 0.00 -0.19 2.65 1.02 -1.26 -0.82 120.64 117.79 1z5f n GLU 4 Ca 0.23 0.04 -0.00 0.00 -0.02 0.00 0.00 57.16 57.41 1z5f n GLU 4 Cb 1.11 -0.98 0.08 0.00 -0.02 0.00 0.00 31.44 31.62 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 0.52 -0.41 2.62 1.03 -1.93 1.48 112.91 116.21 1z5f h THR 5 Ca 0.00 -0.03 0.12 0.00 -0.01 0.00 0.00 66.41 66.49 1z5f h THR 5 Cb 0.00 0.41 -0.02 0.00 -1.07 0.00 0.00 68.15 67.47 1z5f h THR 5 CO 0.00 0.02 0.59 0.15 -0.01 0.00 0.00 175.52 176.27 1z5f h PHE 6 N 0.10 0.00 0.00 0.00 3.57 -0.69 2.05 116.94 121.97 1z5f h PHE 6 Ca 0.29 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 1z5f h PHE 6 Cb 0.46 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.20 1z5f h PHE 6 CO -0.36 0.00 -1.05 0.94 -2.23 0.00 0.00 178.31 175.61 1z5f n GLN 7 N -3.39 0.61 -0.10 1.11 0.00 0.49 -3.10 117.38 113.01 1z5f n GLN 7 Ca 0.08 0.12 -0.20 0.00 -0.00 0.00 0.00 57.00 56.99 1z5f n GLN 7 Cb 0.75 -1.82 -0.10 0.00 0.00 0.00 0.00 30.24 29.07 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 -2.67 0.55 -0.08 3.69 4.76 0.66 -3.77 118.16 121.30 1z5f n LYS 8 Ca -0.00 0.57 -0.20 0.00 -2.87 0.00 0.00 58.31 55.80 1z5f n LYS 8 Cb 0.56 -1.74 -0.12 0.00 -1.84 0.00 0.00 35.03 31.89 1z5f n LYS 8 CO 0.00 0.00 0.00 1.57 -1.37 0.00 0.00 177.40 177.60 1z5f h LYS 9 N -1.00 0.04 0.00 1.97 2.10 -0.90 -3.36 116.57 115.42 1z5f h LYS 9 Ca -0.32 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1z5f h LYS 9 Cb 1.23 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1z5f h LYS 9 CO -0.20 1.04 0.00 0.72 -2.00 0.00 0.00 179.45 179.01 1z5f n HIS 10 N -4.36 0.30 -4.31 0.07 8.25 -1.18 -4.69 115.22 109.31 1z5f n HIS 10 Ca -0.27 0.10 -0.19 0.00 -0.26 0.00 0.00 57.72 57.10 1z5f n HIS 10 Cb 0.69 -0.67 -0.11 0.00 1.12 0.00 0.00 29.99 31.03 1z5f n HIS 10 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1z5f s LEU 11 N -3.52 2.47 0.00 2.41 1.02 -1.19 0.47 118.68 120.34 1z5f s LEU 11 Ca 0.09 -0.91 0.00 0.00 0.02 0.00 0.00 54.13 53.34 1z5f s LEU 11 Cb 0.13 -0.69 0.00 0.00 0.02 0.00 0.00 46.19 45.65 1z5f s LEU 11 CO 0.43 -0.12 0.00 1.07 0.02 0.00 0.00 176.35 177.75 1z5f n THR 12 N 0.11 0.00 -1.08 5.49 5.66 -1.09 -4.47 114.28 118.90 1z5f n THR 12 Ca -0.12 0.00 0.10 0.00 -3.05 0.00 0.00 64.05 60.98 1z5f n THR 12 Cb 0.58 0.00 0.14 0.00 -1.55 0.00 0.00 70.33 69.50 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 -2.10 2.33 -3.51 1.09 9.92 -1.26 -4.55 116.55 118.46 1z5f n ASP 13 Ca 0.00 -3.09 -0.13 0.00 -0.53 0.00 0.00 54.79 51.05 1z5f n ASP 13 Cb 0.00 -0.43 -0.04 0.00 -0.64 0.00 0.00 41.12 40.01 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 -2.86 0.00 -0.07 -3.53 -1.32 -1.26 -5.01 115.64 101.59 1z5f s THR 14 Ca 0.32 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 61.07 1z5f s THR 14 Cb 0.28 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.58 1z5f s THR 14 CO 0.03 0.00 1.80 0.11 -2.21 0.00 0.00 174.62 174.35 1z5f h LYS 15 N 2.46 0.00 -2.30 7.08 1.57 -1.96 -3.29 116.57 120.13 1z5f h LYS 15 Ca -0.25 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 57.89 1z5f h LYS 15 Cb 1.20 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.12 1z5f h LYS 15 CO 0.35 0.09 -0.32 1.63 -0.57 0.00 0.00 179.45 180.63 1z5f n LYS 16 N -3.17 3.34 -0.68 3.15 4.01 -1.26 -4.46 118.16 119.10 1z5f n LYS 16 Ca 0.02 -4.76 -0.32 0.00 -0.51 0.00 0.00 58.31 52.74 1z5f n LYS 16 Cb 0.43 -2.29 0.17 0.00 -0.51 0.00 0.00 35.03 32.83 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 0.28 0.00 -2.68 -0.18 0.24 -1.24 -4.84 118.33 109.91 1z5f n VAL 17 Ca 0.32 -0.30 -0.42 0.00 -2.04 0.00 0.00 64.34 61.91 1z5f n VAL 17 Cb 0.38 -0.60 0.01 0.00 -1.47 0.00 0.00 33.84 32.16 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 -2.01 4.82 -0.22 7.34 2.85 -1.26 -4.84 118.16 124.84 1z5f n LYS 18 Ca 0.01 -4.39 0.18 0.00 -1.05 0.00 0.00 58.31 53.05 1z5f n LYS 18 Cb 0.63 -2.55 0.33 0.00 -0.65 0.00 0.00 35.03 32.79 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 0.52 0.00 0.00 1.82 -1.91 -1.01 116.42 115.84 1z5f h ASP 20 Ca 0.51 0.15 -0.30 0.00 -0.39 0.00 0.00 57.03 57.01 1z5f h ASP 20 Cb 1.28 0.09 -0.06 0.00 0.68 0.00 0.00 39.33 41.32 1z5f h ASP 20 CO -0.55 0.02 -2.21 0.52 -1.61 0.00 0.00 179.24 175.41 1z5f n VAL 21 N -4.97 1.12 0.05 2.25 0.31 0.44 -2.03 118.33 115.49 1z5f n VAL 21 Ca 0.26 -0.74 0.01 0.00 -0.01 0.00 0.00 64.34 63.86 1z5f n VAL 21 Cb 0.75 -0.46 0.03 0.00 -0.91 0.00 0.00 33.84 33.25 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 -2.62 0.01 0.00 5.55 4.07 0.53 -0.75 120.64 127.43 1z5f n GLU 22 Ca -0.27 0.37 0.00 0.00 -0.06 0.00 0.00 57.16 57.20 1z5f n GLU 22 Cb 1.03 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.91 1z5f n GLU 22 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 1z5f n MET 23 N -1.38 0.00 0.00 5.31 2.81 -0.47 -4.72 117.12 118.67 1z5f n MET 23 Ca 0.00 0.00 0.14 0.00 -1.81 0.00 0.00 57.70 56.04 1z5f n MET 23 Cb 0.01 -0.72 0.86 0.00 -0.71 0.00 0.00 33.22 32.67 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 -2.07 2.62 -1.00 3.04 0.00 -0.86 0.17 120.51 122.40 1z5f n ALA 24 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1z5f n ALA 24 Cb 0.26 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1z5f n ALA 24 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1z5f n LYS 25 N -0.98 0.52 0.00 0.00 2.85 0.07 -4.50 118.16 116.12 1z5f n LYS 25 Ca 0.22 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.48 1z5f n LYS 25 Cb 0.10 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.48 1z5f n LYS 25 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1z5f n ALA 26 N -3.00 1.99 1.37 0.58 0.00 -1.26 -4.21 120.51 115.97 1z5f n ALA 26 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1z5f n ALA 26 Cb 0.00 0.29 0.73 0.00 0.00 0.00 0.00 19.45 20.47 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 -2.08 0.00 -0.02 0.00 -0.00 -1.26 -4.13 117.00 109.52 1z5f n LEU 27 Ca 0.00 0.29 -0.05 0.00 -0.00 0.00 0.00 56.01 56.24 1z5f n LEU 27 Cb 0.49 -0.29 -0.02 0.00 -0.00 0.00 0.00 43.42 43.61 1z5f n LEU 27 CO 0.00 -0.01 -0.53 0.49 -0.00 0.00 0.00 177.39 177.34 1z5f n PHE 28 N -1.29 0.00 -1.66 1.47 3.72 -1.26 -5.06 117.46 113.38 1z5f n PHE 28 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 1z5f n PHE 28 Cb 0.23 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 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 -3.44 -1.24 -3.26 4.37 -0.08 -0.79 -4.44 116.55 107.67 1z5f n ASP 29 Ca -0.10 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.11 1z5f n ASP 29 Cb 0.43 -0.35 0.00 0.00 2.34 0.00 0.00 41.12 43.54 1z5f n ASP 29 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1z5f n LYS 31 N -1.92 0.00 0.00 0.00 4.76 -1.26 -4.94 118.16 114.80 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 0.55 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.74 1z5f n LYS 31 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1z5f n LYS 32 N 0.00 0.00 -4.31 1.97 5.02 -1.26 -4.95 118.16 114.63 1z5f n LYS 32 Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 1z5f n LYS 32 Cb 0.00 -0.44 -0.13 0.00 -0.02 0.00 0.00 35.03 34.44 1z5f n LYS 32 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1z5f s THR 33 N -1.00 1.00 -0.04 -0.18 -1.32 -1.26 -0.64 115.64 112.19 1z5f s THR 33 Ca 0.00 -0.95 -0.24 0.00 -1.21 0.00 0.00 61.69 59.29 1z5f s THR 33 Cb 0.00 -0.92 0.05 0.00 -1.51 0.00 0.00 72.50 70.12 1z5f s THR 33 CO 0.00 -0.03 0.52 0.21 -2.21 0.00 0.00 174.62 173.11 1z5f s ASN 34 N -1.11 -0.46 0.03 8.08 3.84 -1.00 -4.96 114.94 119.35 1z5f s ASN 34 Ca 0.00 0.48 -0.00 0.00 0.21 0.00 0.00 52.86 53.55 1z5f s ASN 34 Cb -0.08 0.48 -0.02 0.00 -0.55 0.00 0.00 41.25 41.08 1z5f s ASN 34 CO 0.01 -0.52 -0.03 -0.89 -2.79 0.00 0.00 177.10 172.88 1z5f s THR 35 N -1.16 0.13 0.35 -5.21 2.01 -1.26 -0.44 115.64 110.06 1z5f s THR 35 Ca -0.11 -1.05 -0.07 0.00 0.31 0.00 0.00 61.69 60.76 1z5f s THR 35 Cb -0.02 -0.46 0.02 0.00 0.01 0.00 0.00 72.50 72.04 1z5f s THR 35 CO 0.07 -0.58 0.56 -0.36 -0.69 0.00 0.00 174.62 173.62 1z5f s PHE 36 N -1.85 0.77 -0.05 4.92 0.40 -0.96 -4.65 117.98 116.56 1z5f s PHE 36 Ca -0.12 -1.13 0.04 0.00 -0.60 0.00 0.00 56.93 55.12 1z5f s PHE 36 Cb -0.07 0.18 -0.00 0.00 0.51 0.00 0.00 43.02 43.63 1z5f s PHE 36 CO -0.02 -1.24 -0.18 0.42 0.70 0.00 0.00 175.22 174.89 1z5f s ILE 37 N -2.92 1.54 -0.66 0.64 1.01 0.18 -3.54 121.20 117.45 1z5f s ILE 37 Ca 0.26 -0.77 -0.19 0.00 0.00 0.00 0.00 60.65 59.95 1z5f s ILE 37 Cb -0.02 -1.33 0.11 0.00 0.01 0.00 0.00 42.46 41.23 1z5f s ILE 37 CO 0.17 0.44 0.80 -0.47 0.00 0.00 0.00 174.94 175.89 1z5f s TYR 38 N 0.11 3.00 0.10 3.97 5.04 -0.98 -2.69 117.35 125.90 1z5f s TYR 38 Ca -0.06 -1.01 -0.21 0.00 -2.44 0.00 0.00 57.07 53.34 1z5f s TYR 38 Cb -0.13 -4.08 0.05 0.00 0.35 0.00 0.00 41.96 38.15 1z5f s TYR 38 CO 0.03 -1.36 0.52 0.00 -1.34 0.00 0.00 175.55 173.40 1z5f s ALA 39 N 2.76 -1.32 0.17 3.97 0.00 -1.26 -4.72 121.76 121.36 1z5f s ALA 39 Ca 0.16 0.43 -0.16 0.00 0.00 0.00 0.00 51.96 52.39 1z5f s ALA 39 Cb -0.20 0.60 -0.07 0.00 0.00 0.00 0.00 23.12 23.45 1z5f s ALA 39 CO 0.04 -0.61 0.62 -0.48 0.00 0.00 0.00 175.76 175.32 1z5f s LEU 40 N -2.38 4.34 0.18 0.00 0.05 -1.26 -4.88 118.68 114.73 1z5f s LEU 40 Ca -0.02 1.21 -0.23 0.00 0.05 0.00 0.00 54.13 55.14 1z5f s LEU 40 Cb -0.00 -3.39 0.08 0.00 -2.05 0.00 0.00 46.19 40.84 1z5f s LEU 40 CO -0.07 0.08 1.57 -0.65 -0.55 0.00 0.00 176.35 176.73 1z5f h PRO 41 N 3.52 -0.17 -0.36 1.48 0.11 -1.99 -0.99 132.00 133.60 1z5f h PRO 41 Ca -0.48 0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.71 1z5f h PRO 41 Cb 1.19 0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.27 1z5f h PRO 41 CO 0.65 -0.11 -0.10 0.78 -0.21 0.00 0.00 178.00 179.02 1z5f h GLY 42 N -0.17 0.25 2.00 -0.55 0.00 -1.98 0.12 103.07 102.74 1z5f h GLY 42 Ca 0.21 0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.64 1z5f h GLY 42 CO -0.73 -0.14 -0.14 -0.09 0.00 0.00 0.00 176.54 175.45 1z5f h ARG 43 N -0.01 0.00 0.15 4.80 2.43 -1.74 0.26 114.38 120.28 1z5f h ARG 43 Ca 0.18 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1z5f h ARG 43 Cb 0.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1z5f h ARG 43 CO -0.38 0.14 -0.07 0.28 -1.51 0.00 0.00 179.97 178.42 1z5f h VAL 44 N 0.00 0.34 0.00 0.20 2.07 0.38 -2.42 116.25 116.82 1z5f h VAL 44 Ca -0.00 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 1z5f h VAL 44 Cb 0.26 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1z5f h VAL 44 CO 0.02 0.10 -0.00 0.07 0.02 0.00 0.00 177.57 177.78 1z5f h LYS 45 N -1.02 0.00 -0.02 1.57 2.10 -0.83 -2.43 116.57 115.93 1z5f h LYS 45 Ca -0.02 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.39 1z5f h LYS 45 Cb 0.33 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.67 1z5f h LYS 45 CO 0.03 0.00 -0.96 0.00 -2.00 0.00 0.00 179.45 176.53 1z5f h ALA 46 N 2.00 0.26 0.00 0.07 0.00 -0.51 -2.90 119.26 118.18 1z5f h ALA 46 Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1z5f h ALA 46 Cb 0.32 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1z5f h ALA 46 CO 0.00 0.73 0.00 1.28 0.00 0.00 0.00 179.25 181.26 1z5f n LEU 47 N -3.83 0.00 -0.00 0.00 4.77 -0.91 -1.99 117.00 115.04 1z5f n LEU 47 Ca -0.09 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.94 1z5f n LEU 47 Cb 0.84 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.87 1z5f n LEU 47 CO 0.54 0.00 -0.41 0.00 -1.33 0.00 0.00 177.39 176.18 1z5f s LYS 49 N -2.35 2.63 0.00 0.00 -2.85 -0.84 -2.05 119.74 114.28 1z5f s LYS 49 Ca -0.01 1.90 0.00 0.00 -1.00 0.00 0.00 55.97 56.86 1z5f s LYS 49 Cb 0.06 -1.88 0.00 0.00 -2.06 0.00 0.00 37.83 33.95 1z5f s LYS 49 CO 0.36 -1.50 0.00 -1.71 0.10 0.00 0.00 175.35 172.61 1z5f n ASN 50 N -1.97 0.00 -4.55 0.03 5.15 -1.26 -4.98 115.26 107.68 1z5f n ASN 50 Ca 0.14 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.83 1z5f n ASN 50 Cb 0.49 -0.34 0.15 0.00 -0.53 0.00 0.00 39.78 39.55 1z5f n ASN 50 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1z5f s ILE 51 N -2.36 1.96 0.00 -1.44 -1.09 -0.87 -5.08 121.20 112.32 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 -2.87 0.00 0.00 -1.58 0.00 0.00 42.46 38.01 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 -3.72 1.71 0.00 2.79 3.00 -1.26 -4.62 116.66 114.55 1z5f n ARG 52 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.94 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 -1.49 0.00 -4.62 0.55 5.75 -1.26 -2.40 116.55 113.08 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 0.20 -0.11 0.00 0.00 177.20 177.29 1z5f s ASN 54 N -1.97 6.02 0.14 -1.12 0.01 -1.22 -3.91 114.94 112.89 1z5f s ASN 54 Ca 0.00 1.90 -0.11 0.00 -0.71 0.00 0.00 52.86 53.94 1z5f s ASN 54 Cb 0.00 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.14 1z5f s ASN 54 CO 0.00 -1.50 0.30 -0.89 -1.51 0.00 0.00 177.10 173.49 1z5f s THR 55 N 6.29 0.09 -0.31 1.60 2.01 -0.83 -4.96 115.64 119.53 1z5f s THR 55 Ca 0.86 -1.13 -0.21 0.00 0.31 0.00 0.00 61.69 61.52 1z5f s THR 55 Cb -0.31 -1.55 -0.01 0.00 0.01 0.00 0.00 72.50 70.64 1z5f s THR 55 CO 0.34 -0.39 0.66 -1.81 -0.69 0.00 0.00 174.62 172.73 1z5f s ASP 56 N -2.90 6.52 0.54 3.53 1.01 -1.26 -2.31 116.67 121.80 1z5f s ASP 56 Ca 0.10 0.46 0.04 0.00 0.71 0.00 0.00 52.55 53.86 1z5f s ASP 56 Cb 0.03 -2.34 0.03 0.00 1.01 0.00 0.00 42.92 41.64 1z5f s ASP 56 CO -0.06 -0.51 0.28 0.68 0.21 0.00 0.00 175.17 175.78 1z5f s VAL 57 N 2.68 1.45 -0.23 -1.27 -7.23 0.45 -4.96 120.40 111.28 1z5f s VAL 57 Ca 0.26 -1.65 -0.24 0.00 -1.81 0.00 0.00 61.98 58.55 1z5f s VAL 57 Cb -0.15 -2.10 0.06 0.00 0.56 0.00 0.00 36.38 34.76 1z5f s VAL 57 CO 0.12 0.00 0.67 -0.22 -0.31 0.00 0.00 175.10 175.36 1z5f s LEU 58 N -4.17 -0.55 0.78 1.32 2.96 -1.26 -1.81 118.68 115.95 1z5f s LEU 58 Ca 0.24 1.28 -0.15 0.00 -0.22 0.00 0.00 54.13 55.28 1z5f s LEU 58 Cb -0.01 2.30 0.01 0.00 0.50 0.00 0.00 46.19 48.99 1z5f s LEU 58 CO 0.15 -0.26 0.76 -0.24 -1.32 0.00 0.00 176.35 175.43 1z5f n SER 59 N 2.56 -0.46 -0.65 3.68 2.88 -1.08 -4.87 113.62 115.68 1z5f n SER 59 Ca -0.14 0.57 0.10 0.00 -1.33 0.00 0.00 58.87 58.06 1z5f n SER 59 Cb 0.55 -1.32 0.32 0.00 -0.75 0.00 0.00 64.21 63.02 1z5f n SER 59 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1z5f n ARG 60 N -1.69 1.84 0.00 -1.46 1.74 -1.26 -4.76 116.66 111.07 1z5f n ARG 60 Ca 0.11 -1.27 0.00 0.00 -0.77 0.00 0.00 57.85 55.92 1z5f n ARG 60 Cb 0.50 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 1z5f n ARG 60 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1z5f n ASP 61 N 0.50 0.00 -3.99 0.55 8.00 -1.26 -5.11 116.55 115.24 1z5f n ASP 61 Ca 0.16 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.56 1z5f n ASP 61 Cb 0.36 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.39 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 -1.00 0.05 -0.13 2.24 0.00 -1.26 -2.56 121.76 119.10 1z5f s ALA 62 Ca 0.00 -0.96 -0.07 0.00 0.00 0.00 0.00 51.96 50.93 1z5f s ALA 62 Cb 0.00 0.98 0.05 0.00 0.00 0.00 0.00 23.12 24.15 1z5f s ALA 62 CO 0.00 -0.70 0.31 -0.06 0.00 0.00 0.00 175.76 175.31 1z5f s PHE 63 N -4.00 -0.43 -0.41 0.00 0.40 -0.70 -4.71 117.98 108.13 1z5f s PHE 63 Ca 0.21 0.97 -0.29 0.00 -0.60 0.00 0.00 56.93 57.22 1z5f s PHE 63 Cb 0.03 0.13 0.02 0.00 0.51 0.00 0.00 43.02 43.71 1z5f s PHE 63 CO 0.04 -0.27 1.11 -1.17 0.70 0.00 0.00 175.22 175.63 1z5f s LEU 64 N 1.26 3.77 -0.06 -0.37 0.20 -1.26 -2.50 118.68 119.71 1z5f s LEU 64 Ca -0.09 0.73 0.05 0.00 0.69 0.00 0.00 54.13 55.51 1z5f s LEU 64 Cb -0.09 -3.55 -0.01 0.00 -0.43 0.00 0.00 46.19 42.11 1z5f s LEU 64 CO -0.10 -1.09 -0.23 -1.48 -0.29 0.00 0.00 176.35 173.16 1z5f s LEU 65 N 4.11 2.04 0.52 -0.68 2.34 -1.01 -2.33 118.68 123.67 1z5f s LEU 65 Ca 0.47 -0.49 -0.19 0.00 0.06 0.00 0.00 54.13 53.98 1z5f s LEU 65 Cb -0.09 -1.31 -0.07 0.00 -0.56 0.00 0.00 46.19 44.16 1z5f s LEU 65 CO 0.25 0.21 1.04 -2.16 -1.06 0.00 0.00 176.35 174.63 1z5f s PRO 66 N -0.03 3.68 -0.10 1.48 0.04 -1.23 -3.27 135.00 135.57 1z5f s PRO 66 Ca -0.06 1.28 -0.06 0.00 0.04 0.00 0.00 61.00 62.19 1z5f s PRO 66 Cb -0.14 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.35 1z5f s PRO 66 CO 0.04 -0.52 0.24 -1.14 0.04 0.00 0.00 177.00 175.66 1z5f s GLN 67 N -3.53 0.23 -0.07 4.56 0.74 0.49 -2.26 119.66 119.82 1z5f s GLN 67 Ca 0.65 0.44 -0.10 0.00 0.05 0.00 0.00 55.36 56.40 1z5f s GLN 67 Cb -0.16 -0.01 -0.05 0.00 1.10 0.00 0.00 33.01 33.89 1z5f s GLN 67 CO 0.25 -0.11 0.24 0.00 -0.55 0.00 0.00 175.29 175.13 1z5f s ASP 69 N -1.04 2.07 -0.34 0.00 -1.08 -0.95 -2.38 116.67 112.95 1z5f s ASP 69 Ca 0.18 -0.39 -0.16 0.00 -0.52 0.00 0.00 52.55 51.66 1z5f s ASP 69 Cb -0.14 -0.40 -0.01 0.00 -1.46 0.00 0.00 42.92 40.92 1z5f s ASP 69 CO 0.08 -0.27 0.41 -0.60 0.52 0.00 0.00 175.17 175.30 1z5f s ARG 70 N 2.01 3.59 0.00 4.34 3.52 0.19 -0.32 118.95 132.28 1z5f s ARG 70 Ca 0.03 -0.33 0.00 0.00 -0.13 0.00 0.00 55.73 55.30 1z5f s ARG 70 Cb -0.14 -3.80 0.00 0.00 -1.56 0.00 0.00 34.95 29.44 1z5f s ARG 70 CO -0.07 -0.56 0.00 1.51 -0.81 0.00 0.00 175.30 175.38 1z5f n ILE 71 N 5.29 0.00 -4.24 4.11 3.06 -1.26 -4.94 119.36 121.39 1z5f n ILE 71 Ca -0.08 -0.21 -0.15 0.00 -2.50 0.00 0.00 62.75 59.81 1z5f n ILE 71 Cb 0.49 0.88 -0.09 0.00 0.54 0.00 0.00 39.64 41.46 1z5f n ILE 71 CO 0.00 0.00 0.00 -1.59 -2.50 0.00 0.00 176.55 172.46 1z5f s LYS 72 N -0.59 1.44 0.27 9.51 -2.85 -1.26 -5.11 119.74 121.16 1z5f s LYS 72 Ca 0.00 -1.80 0.00 0.00 -1.00 0.00 0.00 55.97 53.17 1z5f s LYS 72 Cb 0.00 0.29 0.00 0.00 -2.06 0.00 0.00 37.83 36.06 1z5f s LYS 72 CO 0.00 -0.50 0.00 1.28 0.10 0.00 0.00 175.35 176.23 1z5f n LEU 73 N -0.42 -0.52 -0.08 2.77 4.77 -1.26 -4.39 117.00 117.86 1z5f n LEU 73 Ca 0.04 1.18 -0.22 0.00 -0.03 0.00 0.00 56.01 56.98 1z5f n LEU 73 Cb 0.64 -3.34 -0.12 0.00 -2.33 0.00 0.00 43.42 38.28 1z5f n LEU 73 CO 0.33 -2.28 -0.55 1.55 -1.33 0.00 0.00 177.39 175.10 1z5f h PRO 74 N -1.08 0.07 -2.20 3.23 0.13 -2.02 -3.42 132.00 126.71 1z5f h PRO 74 Ca -0.02 -0.11 -0.56 0.00 -0.87 0.00 0.00 66.00 64.43 1z5f h PRO 74 Cb 1.24 0.04 -0.41 0.00 0.13 0.00 0.00 31.00 31.99 1z5f h PRO 74 CO 0.02 1.05 -0.79 0.00 -0.23 0.00 0.00 178.00 178.06 1z5f s HIS 76 N -3.10 0.65 0.14 0.00 5.04 -1.26 -5.02 115.29 111.74 1z5f s HIS 76 Ca 0.46 -0.57 0.01 0.00 -1.54 0.00 0.00 55.06 53.42 1z5f s HIS 76 Cb 0.29 -0.39 -0.04 0.00 0.04 0.00 0.00 32.58 32.47 1z5f s HIS 76 CO -0.12 -0.11 0.01 0.71 -2.34 0.00 0.00 174.74 172.89 1z5f s TYR 77 N -1.73 0.98 0.13 3.88 1.51 -1.26 -4.30 117.35 116.56 1z5f s TYR 77 Ca -0.07 -1.08 0.05 0.00 -1.01 0.00 0.00 57.07 54.96 1z5f s TYR 77 Cb -0.08 -0.57 -0.04 0.00 -0.11 0.00 0.00 41.96 41.16 1z5f s TYR 77 CO -0.01 -0.32 0.08 0.21 -1.11 0.00 0.00 175.55 174.40 1z5f s LYS 78 N -3.95 2.76 -0.23 -0.62 2.20 0.57 -4.79 119.74 115.69 1z5f s LYS 78 Ca 0.20 -0.84 -0.16 0.00 -0.36 0.00 0.00 55.97 54.81 1z5f s LYS 78 Cb 0.07 -2.61 -0.04 0.00 -1.51 0.00 0.00 37.83 33.74 1z5f s LYS 78 CO 0.01 0.52 0.42 -1.17 -0.36 0.00 0.00 175.35 174.76 1z5f s LEU 79 N -2.71 4.11 -0.10 5.43 0.20 -1.26 -2.23 118.68 122.12 1z5f s LEU 79 Ca 0.29 0.48 -0.04 0.00 0.69 0.00 0.00 54.13 55.55 1z5f s LEU 79 Cb -0.11 -2.53 0.05 0.00 -0.43 0.00 0.00 46.19 43.17 1z5f s LEU 79 CO 0.21 -0.14 0.20 -0.55 -0.29 0.00 0.00 176.35 175.78 1z5f s SER 80 N 1.26 0.18 0.08 3.68 0.15 -0.74 -4.98 113.70 113.33 1z5f s SER 80 Ca 0.19 0.44 0.01 0.00 0.70 0.00 0.00 55.95 57.28 1z5f s SER 80 Cb -0.15 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.51 1z5f s SER 80 CO 0.09 -0.20 -0.05 -0.94 1.20 0.00 0.00 173.24 173.33 1z5f s SER 81 N 1.78 0.87 0.19 5.45 1.04 -1.26 -0.38 113.70 121.39 1z5f s SER 81 Ca -0.04 -0.95 -0.23 0.00 0.48 0.00 0.00 55.95 55.21 1z5f s SER 81 Cb -0.11 0.13 0.06 0.00 0.10 0.00 0.00 66.02 66.19 1z5f s SER 81 CO -0.07 -0.49 0.65 -0.94 0.98 0.00 0.00 173.24 173.37 1z5f s SER 82 N -2.85 -0.46 -0.26 7.02 1.04 -1.20 -4.96 113.70 112.03 1z5f s SER 82 Ca 0.08 -0.19 -0.08 0.00 0.48 0.00 0.00 55.95 56.24 1z5f s SER 82 Cb 0.05 0.63 -0.03 0.00 0.10 0.00 0.00 66.02 66.77 1z5f s SER 82 CO -0.06 -1.07 0.10 0.42 0.98 0.00 0.00 173.24 173.61 1z5f s THR 83 N -3.77 4.46 0.03 2.02 -4.23 -1.26 -2.41 115.64 110.49 1z5f s THR 83 Ca 0.04 -0.17 -0.28 0.00 -1.18 0.00 0.00 61.69 60.10 1z5f s THR 83 Cb -0.02 -3.12 0.07 0.00 1.34 0.00 0.00 72.50 70.76 1z5f s THR 83 CO -0.07 0.29 0.66 0.54 -0.54 0.00 0.00 174.62 175.50 1z5f s ASN 84 N 1.63 -0.62 0.68 3.99 4.22 -1.04 -4.61 114.94 119.20 1z5f s ASN 84 Ca 0.06 0.43 -0.16 0.00 -2.14 0.00 0.00 52.86 51.05 1z5f s ASN 84 Cb -0.15 0.56 0.01 0.00 1.28 0.00 0.00 41.25 42.94 1z5f s ASN 84 CO 0.05 -0.74 1.18 -0.89 -2.04 0.00 0.00 177.10 174.66 1z5f s THR 85 N -2.18 2.59 -0.01 0.54 2.01 -1.06 -1.73 115.64 115.80 1z5f s THR 85 Ca -0.06 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.24 1z5f s THR 85 Cb -0.00 -2.90 0.01 0.00 0.01 0.00 0.00 72.50 69.62 1z5f s THR 85 CO 0.01 -0.14 0.00 0.27 -0.69 0.00 0.00 174.62 174.07 1z5f s ILE 86 N -1.98 0.04 0.06 1.82 -4.36 -1.23 -0.56 121.20 114.99 1z5f s ILE 86 Ca 0.73 0.05 -0.23 0.00 -0.26 0.00 0.00 60.65 60.94 1z5f s ILE 86 Cb -0.27 -0.09 -0.06 0.00 1.25 0.00 0.00 42.46 43.28 1z5f s ILE 86 CO 0.42 0.05 0.69 0.00 0.24 0.00 0.00 174.94 176.34 1z5f s ILE 88 N -0.47 0.09 -0.13 0.00 2.07 -0.75 -0.48 121.20 121.52 1z5f s ILE 88 Ca 0.35 -0.74 -0.05 0.00 -1.41 0.00 0.00 60.65 58.80 1z5f s ILE 88 Cb -0.20 -0.95 -0.04 0.00 0.13 0.00 0.00 42.46 41.40 1z5f s ILE 88 CO 0.22 -0.41 0.04 -0.89 -1.91 0.00 0.00 174.94 171.99 1z5f s THR 89 N -2.62 4.66 0.09 4.00 2.01 -0.95 -0.41 115.64 122.42 1z5f s THR 89 Ca -0.04 -0.10 0.06 0.00 0.31 0.00 0.00 61.69 61.92 1z5f s THR 89 Cb -0.01 -3.03 -0.03 0.00 0.01 0.00 0.00 72.50 69.44 1z5f s THR 89 CO -0.04 0.54 -0.16 0.00 -0.69 0.00 0.00 174.62 174.28 1z5f n VAL 91 N 1.12 0.00 -0.35 0.00 0.24 -0.91 -1.96 118.33 116.47 1z5f n VAL 91 Ca -0.20 0.00 0.28 0.00 -2.04 0.00 0.00 64.34 62.38 1z5f n VAL 91 Cb 0.54 0.00 0.59 0.00 -1.47 0.00 0.00 33.84 33.50 1z5f n VAL 91 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 1z5f h ASN 92 N 0.00 0.31 0.00 -1.34 2.35 -1.62 -3.37 115.58 111.92 1z5f h ASN 92 Ca 0.00 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1z5f h ASN 92 Cb 0.00 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1z5f h ASN 92 CO 0.00 0.02 0.00 0.00 -1.65 0.00 0.00 177.43 175.80 1z5f n GLN 93 N -4.54 0.00 -3.55 0.81 10.64 -1.26 -4.02 117.38 115.45 1z5f n GLN 93 Ca 0.28 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 55.32 1z5f n GLN 93 Cb 1.07 0.00 -0.11 0.00 -0.86 0.00 0.00 30.24 30.33 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 0.00 -0.39 0.04 2.61 1.43 -1.26 -4.54 118.68 116.57 1z5f s LEU 94 Ca 0.00 0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 53.20 1z5f s LEU 94 Cb 0.00 0.83 -0.05 0.00 0.03 0.00 0.00 46.19 47.00 1z5f s LEU 94 CO 0.00 -0.27 1.16 -2.16 0.23 0.00 0.00 176.35 175.31 1z5f s PRO 95 N 2.46 4.45 0.00 1.29 0.04 -1.26 -2.13 135.00 139.85 1z5f s PRO 95 Ca 0.05 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1z5f s PRO 95 Cb -0.14 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.02 1z5f s PRO 95 CO -0.12 -0.23 0.00 0.44 0.04 0.00 0.00 177.00 177.13 1z5f n ILE 96 N 3.97 0.00 -4.97 0.56 -6.64 -1.15 -3.88 119.36 107.24 1z5f n ILE 96 Ca 0.09 0.00 -0.29 0.00 -1.77 0.00 0.00 62.75 60.78 1z5f n ILE 96 Cb 0.47 1.10 -0.15 0.00 -1.44 0.00 0.00 39.64 39.62 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 0.00 2.14 -0.43 4.28 3.76 -1.09 -4.29 115.29 119.66 1z5f s HIS 97 Ca 0.00 -0.40 -0.06 0.00 -0.15 0.00 0.00 55.06 54.45 1z5f s HIS 97 Cb 0.00 -1.32 0.11 0.00 1.11 0.00 0.00 32.58 32.48 1z5f s HIS 97 CO 0.00 0.05 0.25 0.12 -0.85 0.00 0.00 174.74 174.31 1z5f s PHE 98 N -0.70 3.50 0.00 1.40 2.19 -1.26 -2.23 117.98 120.88 1z5f s PHE 98 Ca 0.10 -2.13 0.00 0.00 0.33 0.00 0.00 56.93 55.23 1z5f s PHE 98 Cb -0.09 -3.26 0.00 0.00 -1.31 0.00 0.00 43.02 38.36 1z5f s PHE 98 CO 0.01 -0.96 0.77 0.00 1.83 0.00 0.00 175.22 176.86 1z5f n ALA 99 N 4.73 -0.24 -3.00 11.12 0.00 0.37 -4.96 120.51 128.53 1z5f n ALA 99 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1z5f n ALA 99 Cb 0.41 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 1.48 3.92 0.00 0.00 -1.14 -5.00 105.19 103.66 1z5f n GLY 100 Ca 0.00 -0.85 -0.26 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.56 5.02 0.00 1.61 1.01 -1.26 -3.45 120.40 120.77 1z5f s VAL 101 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.86 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 -0.62 0.00 0.61 0.00 0.00 0.00 175.10 175.09 1z5f n GLY 102 N -1.80 -1.11 3.46 4.51 0.00 0.27 -4.77 105.19 105.76 1z5f n GLY 102 Ca -0.02 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.65 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 -4.03 0.47 0.74 1.61 1.04 -1.23 -3.18 113.70 109.13 1z5f s SER 103 Ca 0.00 1.15 -0.16 0.00 0.48 0.00 0.00 55.95 57.42 1z5f s SER 103 Cb 0.00 -1.73 -0.00 0.00 0.10 0.00 0.00 66.02 64.38 1z5f s SER 103 CO 0.00 -4.46 0.76 0.00 0.98 0.00 0.00 173.24 170.52