#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 0.15 0.00 1.24 -0.00 -1.90 0.16 115.95 115.60 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 -0.05 0.00 0.00 -0.00 0.00 0.00 29.16 29.11 1z5f h TRP 3 CO 0.00 0.07 0.00 0.39 -0.00 0.00 0.00 178.44 178.90 1z5f n GLU 4 N -4.43 0.00 -0.13 2.65 1.02 -1.26 -0.80 120.64 117.69 1z5f n GLU 4 Ca 0.08 0.16 -0.05 0.00 -0.02 0.00 0.00 57.16 57.34 1z5f n GLU 4 Cb 0.47 -1.12 0.02 0.00 -0.02 0.00 0.00 31.44 30.79 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 0.45 -0.30 2.62 1.03 -1.96 1.24 112.91 115.99 1z5f h THR 5 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 66.41 66.49 1z5f h THR 5 Cb 0.00 0.45 -0.01 0.00 -1.07 0.00 0.00 68.15 67.52 1z5f h THR 5 CO 0.00 0.00 0.61 0.15 -0.01 0.00 0.00 175.52 176.27 1z5f h PHE 6 N -0.08 0.00 0.00 0.00 3.57 -0.72 2.14 116.94 121.85 1z5f h PHE 6 Ca 0.21 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 1z5f h PHE 6 Cb 0.40 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 1z5f h PHE 6 CO -0.43 0.00 -1.04 0.94 -2.23 0.00 0.00 178.31 175.55 1z5f n GLN 7 N -3.17 0.61 -0.10 1.11 0.00 0.42 -3.24 117.38 113.00 1z5f n GLN 7 Ca 0.05 0.11 -0.20 0.00 -0.00 0.00 0.00 57.00 56.97 1z5f n GLN 7 Cb 0.73 -1.82 -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 -2.67 0.55 -0.08 3.69 4.76 0.70 -3.75 118.16 121.37 1z5f n LYS 8 Ca -0.00 0.57 -0.14 0.00 -2.87 0.00 0.00 58.31 55.87 1z5f n LYS 8 Cb 0.55 -1.74 -0.09 0.00 -1.84 0.00 0.00 35.03 31.91 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 0.00 0.00 1.97 2.10 -1.18 -3.36 116.57 115.11 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 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1z5f h LYS 9 CO -0.19 0.75 0.00 0.72 -2.00 0.00 0.00 179.45 178.72 1z5f n HIS 10 N -4.57 0.70 -4.29 0.07 8.25 -1.20 -4.71 115.22 109.47 1z5f n HIS 10 Ca -0.17 0.26 -0.22 0.00 -0.26 0.00 0.00 57.72 57.34 1z5f n HIS 10 Cb 0.47 -0.92 -0.12 0.00 1.12 0.00 0.00 29.99 30.54 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 -4.25 2.38 0.00 2.41 1.02 -1.21 0.52 118.68 119.55 1z5f s LEU 11 Ca 0.06 -0.78 0.00 0.00 0.02 0.00 0.00 54.13 53.42 1z5f s LEU 11 Cb 0.10 -0.79 0.00 0.00 0.02 0.00 0.00 46.19 45.52 1z5f s LEU 11 CO 0.41 -0.02 0.00 1.07 0.02 0.00 0.00 176.35 177.83 1z5f n THR 12 N 0.64 0.00 -0.69 5.49 5.66 -1.11 -4.40 114.28 119.87 1z5f n THR 12 Ca -0.16 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 60.90 1z5f n THR 12 Cb 0.56 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 69.43 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 -0.89 2.20 -3.47 1.09 8.00 -1.26 -4.65 116.55 117.58 1z5f n ASP 13 Ca 0.00 -2.68 -0.14 0.00 0.71 0.00 0.00 54.79 52.68 1z5f n ASP 13 Cb 0.00 -0.27 -0.04 0.00 -0.02 0.00 0.00 41.12 40.79 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 -2.17 0.00 0.00 -3.53 -1.32 -1.26 -5.02 115.64 102.35 1z5f s THR 14 Ca 0.20 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.90 1z5f s THR 14 Cb 0.18 -1.00 0.22 0.00 -1.51 0.00 0.00 72.50 70.38 1z5f s THR 14 CO 0.02 0.00 1.73 0.07 -2.21 0.00 0.00 174.62 174.22 1z5f h LYS 15 N 2.37 0.00 -2.31 7.08 2.10 -1.95 -3.31 116.57 120.55 1z5f h LYS 15 Ca -0.30 0.00 -0.64 0.00 -2.00 0.00 0.00 60.65 57.72 1z5f h LYS 15 Cb 1.24 0.00 -0.39 0.00 -0.90 0.00 0.00 32.23 32.17 1z5f h LYS 15 CO 0.37 0.25 -0.35 0.36 -2.00 0.00 0.00 179.45 178.09 1z5f n LYS 16 N -3.30 3.08 -0.69 0.07 2.85 -1.26 -4.34 118.16 114.56 1z5f n LYS 16 Ca 0.01 -4.70 -0.33 0.00 -1.05 0.00 0.00 58.31 52.24 1z5f n LYS 16 Cb 0.50 -2.30 0.17 0.00 -0.65 0.00 0.00 35.03 32.75 1z5f n LYS 16 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 1z5f n VAL 17 N 0.63 0.00 -2.69 0.58 0.24 -1.25 -4.84 118.33 111.00 1z5f n VAL 17 Ca 0.30 -0.29 -0.42 0.00 -2.04 0.00 0.00 64.34 61.90 1z5f n VAL 17 Cb 0.39 -0.60 0.01 0.00 -1.47 0.00 0.00 33.84 32.18 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 -1.97 4.98 -0.31 7.34 0.00 -1.26 -4.83 118.16 122.11 1z5f n LYS 18 Ca 0.01 -4.48 0.25 0.00 -0.00 0.00 0.00 58.31 54.10 1z5f n LYS 18 Cb 0.62 -2.52 0.41 0.00 -0.00 0.00 0.00 35.03 33.54 1z5f n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1z5f h ASP 20 N 0.00 0.52 0.00 0.00 3.58 -1.92 -1.52 116.42 117.09 1z5f h ASP 20 Ca 0.52 0.08 -0.33 0.00 0.42 0.00 0.00 57.03 57.71 1z5f h ASP 20 Cb 1.80 -0.01 -0.06 0.00 1.72 0.00 0.00 39.33 42.78 1z5f h ASP 20 CO -0.18 0.25 -2.25 0.52 -2.88 0.00 0.00 179.24 174.70 1z5f n VAL 21 N -4.86 1.26 0.08 2.25 0.31 0.55 -2.10 118.33 115.83 1z5f n VAL 21 Ca 0.15 -0.63 0.04 0.00 -0.01 0.00 0.00 64.34 63.88 1z5f n VAL 21 Cb 0.36 -0.89 0.21 0.00 -0.91 0.00 0.00 33.84 32.61 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 -2.89 0.05 0.00 5.55 0.00 0.45 -1.00 120.64 122.80 1z5f n GLU 22 Ca -0.34 0.47 0.00 0.00 0.00 0.00 0.00 57.16 57.28 1z5f n GLU 22 Cb 1.01 -1.86 0.00 0.00 0.00 0.00 0.00 31.44 30.58 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 -1.73 0.00 0.00 5.31 2.81 -0.58 -4.64 117.12 118.29 1z5f n MET 23 Ca -0.01 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 55.92 1z5f n MET 23 Cb 0.21 -0.56 0.23 0.00 -0.71 0.00 0.00 33.22 32.40 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 -2.71 1.86 -1.00 3.04 0.00 -0.89 -0.55 120.51 120.26 1z5f n ALA 24 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1z5f n ALA 24 Cb 0.40 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.89 1.17 -0.00 0.00 5.02 -0.17 -4.45 118.16 118.84 1z5f n LYS 25 Ca 0.06 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.41 1z5f n LYS 25 Cb 0.03 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.95 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 -2.99 3.15 1.17 7.82 0.00 -1.26 -3.53 120.51 124.87 1z5f n ALA 26 Ca 0.00 -0.35 0.12 0.00 0.00 0.00 0.00 53.44 53.22 1z5f n ALA 26 Cb 0.00 -0.47 0.28 0.00 0.00 0.00 0.00 19.45 19.26 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 -1.62 1.15 -0.03 0.00 -0.00 -1.26 -4.32 117.00 110.93 1z5f n LEU 27 Ca 0.00 -0.33 -0.04 0.00 -0.00 0.00 0.00 56.01 55.64 1z5f n LEU 27 Cb 0.27 -0.11 -0.02 0.00 -0.00 0.00 0.00 43.42 43.56 1z5f n LEU 27 CO 0.27 0.22 -0.67 0.49 -0.00 0.00 0.00 177.39 177.70 1z5f n PHE 28 N -0.66 0.00 -2.19 1.47 3.72 -1.26 -5.06 117.46 113.48 1z5f n PHE 28 Ca 0.11 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.51 1z5f n PHE 28 Cb 0.37 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 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 -2.78 -2.01 -3.86 4.37 2.03 -1.19 -4.11 116.55 109.00 1z5f n ASP 29 Ca -0.09 -0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.84 1z5f n ASP 29 Cb 0.59 -0.53 0.03 0.00 -0.72 0.00 0.00 41.12 40.49 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 -4.41 2.66 0.00 0.00 4.76 -1.26 -4.92 118.16 114.98 1z5f n LYS 31 Ca -0.12 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 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 0.85 -4.09 1.97 2.85 -1.26 -4.98 118.16 113.49 1z5f n LYS 32 Ca 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.12 1z5f n LYS 32 Cb 0.00 -0.62 -0.12 0.00 -0.65 0.00 0.00 35.03 33.63 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 -1.24 0.47 0.00 0.58 2.01 -1.26 -0.35 115.64 115.85 1z5f s THR 33 Ca 0.00 -0.76 -0.29 0.00 0.31 0.00 0.00 61.69 60.95 1z5f s THR 33 Cb 0.00 -0.50 0.07 0.00 0.01 0.00 0.00 72.50 72.09 1z5f s THR 33 CO 0.00 -0.21 0.68 0.20 -0.69 0.00 0.00 174.62 174.60 1z5f s ASN 34 N -1.05 -0.61 0.06 3.53 -0.87 -0.97 -4.98 114.94 110.05 1z5f s ASN 34 Ca -0.06 0.48 0.02 0.00 -1.57 0.00 0.00 52.86 51.73 1z5f s ASN 34 Cb -0.07 0.54 -0.03 0.00 -0.02 0.00 0.00 41.25 41.66 1z5f s ASN 34 CO 0.00 -0.69 -0.06 -0.89 -2.57 0.00 0.00 177.10 172.88 1z5f s THR 35 N -1.94 0.52 0.33 1.60 2.01 -1.26 -0.79 115.64 116.11 1z5f s THR 35 Ca -0.07 -1.40 -0.10 0.00 0.31 0.00 0.00 61.69 60.43 1z5f s THR 35 Cb -0.00 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.53 1z5f s THR 35 CO 0.03 -0.61 0.59 -0.36 -0.69 0.00 0.00 174.62 173.58 1z5f s PHE 36 N -2.33 0.55 -0.04 4.92 0.40 -0.93 -4.66 117.98 115.89 1z5f s PHE 36 Ca -0.02 -0.96 0.05 0.00 -0.60 0.00 0.00 56.93 55.40 1z5f s PHE 36 Cb -0.04 0.30 -0.01 0.00 0.51 0.00 0.00 43.02 43.79 1z5f s PHE 36 CO -0.02 -1.25 -0.20 0.42 0.70 0.00 0.00 175.22 174.86 1z5f s ILE 37 N -3.07 1.66 -0.64 0.64 1.01 0.19 -3.44 121.20 117.55 1z5f s ILE 37 Ca 0.23 -0.86 -0.17 0.00 0.00 0.00 0.00 60.65 59.84 1z5f s ILE 37 Cb -0.02 -1.41 0.13 0.00 0.01 0.00 0.00 42.46 41.17 1z5f s ILE 37 CO 0.14 0.47 0.69 -0.47 0.00 0.00 0.00 174.94 175.78 1z5f s TYR 38 N -0.17 3.20 -0.00 3.97 5.04 -0.97 -2.74 117.35 125.68 1z5f s TYR 38 Ca -0.00 -1.25 -0.18 0.00 -2.44 0.00 0.00 57.07 53.19 1z5f s TYR 38 Cb -0.11 -3.95 0.03 0.00 0.35 0.00 0.00 41.96 38.28 1z5f s TYR 38 CO 0.02 -1.19 0.39 0.00 -1.34 0.00 0.00 175.55 173.43 1z5f s ALA 39 N 1.98 -0.99 0.32 3.97 0.00 -1.26 -4.70 121.76 121.08 1z5f s ALA 39 Ca 0.12 0.45 -0.27 0.00 0.00 0.00 0.00 51.96 52.27 1z5f s ALA 39 Cb -0.22 0.15 -0.10 0.00 0.00 0.00 0.00 23.12 22.96 1z5f s ALA 39 CO 0.02 -0.34 0.97 -0.48 0.00 0.00 0.00 175.76 175.93 1z5f s LEU 40 N -1.53 4.37 0.21 0.00 0.05 -1.26 -4.89 118.68 115.61 1z5f s LEU 40 Ca -0.10 1.91 -0.20 0.00 0.05 0.00 0.00 54.13 55.78 1z5f s LEU 40 Cb -0.03 -3.96 0.16 0.00 -2.05 0.00 0.00 46.19 40.31 1z5f s LEU 40 CO 0.03 -0.10 1.50 -2.65 -0.55 0.00 0.00 176.35 174.58 1z5f n PRO 41 N 0.64 -0.27 -0.35 1.48 -0.02 -1.26 -0.46 135.00 134.75 1z5f n PRO 41 Ca 0.02 1.48 0.01 0.00 -2.02 0.00 0.00 63.50 62.99 1z5f n PRO 41 Cb 0.49 -2.19 0.15 0.00 -0.02 0.00 0.00 33.50 31.93 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 1.41 2.00 -1.23 0.00 -1.99 -1.22 103.07 102.05 1z5f h GLY 42 Ca 0.29 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 1z5f h GLY 42 CO -0.95 0.33 -0.12 -0.09 0.00 0.00 0.00 176.54 175.71 1z5f h ARG 43 N 1.11 0.00 0.11 4.80 2.43 -1.14 0.23 114.38 121.92 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 0.12 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1z5f h ARG 43 CO -0.16 0.12 -0.05 0.28 -1.51 0.00 0.00 179.97 178.65 1z5f h VAL 44 N 0.00 0.45 0.00 0.20 2.07 -0.79 -2.41 116.25 115.77 1z5f h VAL 44 Ca -0.00 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1z5f h VAL 44 Cb 0.21 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1z5f h VAL 44 CO 0.02 0.14 0.00 0.07 0.02 0.00 0.00 177.57 177.81 1z5f h LYS 45 N -1.00 0.00 -0.07 1.57 2.10 -1.42 -2.03 116.57 115.73 1z5f h LYS 45 Ca -0.02 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.40 1z5f h LYS 45 Cb 0.34 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.68 1z5f h LYS 45 CO 0.02 0.00 -0.89 0.00 -2.00 0.00 0.00 179.45 176.59 1z5f h ALA 46 N 2.00 0.30 0.00 0.07 0.00 -0.57 -2.50 119.26 118.56 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 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1z5f h ALA 46 CO 0.00 0.72 0.00 -0.11 0.00 0.00 0.00 179.25 179.86 1z5f n LEU 47 N -3.86 0.00 -0.00 0.00 0.00 -0.77 -2.13 117.00 110.24 1z5f n LEU 47 Ca -0.08 0.18 0.05 0.00 0.00 0.00 0.00 56.01 56.16 1z5f n LEU 47 Cb 0.80 -0.18 -0.07 0.00 0.00 0.00 0.00 43.42 43.98 1z5f n LEU 47 CO 0.53 -0.07 -0.09 0.00 0.00 0.00 0.00 177.39 177.77 1z5f s LYS 49 N -2.12 1.73 0.00 0.00 1.02 -0.91 -2.55 119.74 116.92 1z5f s LYS 49 Ca 0.03 1.31 0.00 0.00 0.02 0.00 0.00 55.97 57.33 1z5f s LYS 49 Cb 0.08 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.57 1z5f s LYS 49 CO 0.45 -2.06 0.00 0.09 -0.92 0.00 0.00 175.35 172.92 1z5f n ASN 50 N -3.82 0.00 -3.54 2.83 3.02 -1.26 -4.95 115.26 107.53 1z5f n ASN 50 Ca 0.10 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.40 1z5f n ASN 50 Cb 0.53 -0.09 0.23 0.00 -0.61 0.00 0.00 39.78 39.83 1z5f n ASN 50 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1z5f n ILE 51 N -1.02 0.00 0.00 2.41 2.08 -1.05 -4.99 119.36 116.79 1z5f n ILE 51 Ca 0.00 -0.08 0.00 0.00 0.56 0.00 0.00 62.75 63.23 1z5f n ILE 51 Cb 0.00 -0.77 0.00 0.00 -0.75 0.00 0.00 39.64 38.12 1z5f n ILE 51 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1z5f n ARG 52 N -3.96 0.69 0.00 0.38 0.63 -1.23 -4.77 116.66 108.40 1z5f n ARG 52 Ca 0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 1z5f n ARG 52 Cb 0.49 -0.87 0.00 0.00 0.45 0.00 0.00 32.46 32.54 1z5f n ARG 52 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1z5f n ASP 53 N -2.09 0.00 -4.60 6.15 5.75 -1.21 -4.02 116.55 116.54 1z5f n ASP 53 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.36 1z5f n ASP 53 Cb 0.37 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.43 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 2.00 5.62 0.06 -1.12 6.03 -1.19 -3.84 114.94 122.51 1z5f s ASN 54 Ca 0.00 1.48 -0.15 0.00 -1.03 0.00 0.00 52.86 53.15 1z5f s ASN 54 Cb 0.00 -2.52 0.03 0.00 -3.03 0.00 0.00 41.25 35.73 1z5f s ASN 54 CO 0.00 -1.89 0.35 -0.89 -2.03 0.00 0.00 177.10 172.64 1z5f s THR 55 N 7.79 0.07 -0.31 0.54 2.01 -0.91 -4.94 115.64 119.90 1z5f s THR 55 Ca 0.88 -0.61 -0.24 0.00 0.31 0.00 0.00 61.69 62.03 1z5f s THR 55 Cb -0.26 -1.01 0.00 0.00 0.01 0.00 0.00 72.50 71.24 1z5f s THR 55 CO 0.33 -0.34 0.83 1.51 -0.69 0.00 0.00 174.62 176.26 1z5f s ASP 56 N -2.23 6.70 0.37 3.53 -4.77 -1.26 -2.39 116.67 116.62 1z5f s ASP 56 Ca -0.03 0.72 0.07 0.00 -3.30 0.00 0.00 52.55 50.01 1z5f s ASP 56 Cb 0.00 -2.43 -0.01 0.00 -1.09 0.00 0.00 42.92 39.40 1z5f s ASP 56 CO -0.05 -0.65 0.45 0.68 0.70 0.00 0.00 175.17 176.30 1z5f s VAL 57 N 3.05 3.41 -0.03 2.11 -7.23 -0.01 -4.91 120.40 116.78 1z5f s VAL 57 Ca 0.34 -1.14 0.01 0.00 -1.81 0.00 0.00 61.98 59.39 1z5f s VAL 57 Cb -0.14 -3.17 0.02 0.00 0.56 0.00 0.00 36.38 33.65 1z5f s VAL 57 CO 0.13 -0.09 -0.03 -0.22 -0.31 0.00 0.00 175.10 174.58 1z5f s LEU 58 N -4.18 1.40 0.70 1.32 1.98 -1.26 -2.46 118.68 116.17 1z5f s LEU 58 Ca 0.48 -0.08 -0.16 0.00 -2.89 0.00 0.00 54.13 51.47 1z5f s LEU 58 Cb -0.08 -0.32 -0.02 0.00 0.66 0.00 0.00 46.19 46.43 1z5f s LEU 58 CO 0.30 -0.05 0.85 -0.24 -1.89 0.00 0.00 176.35 175.32 1z5f n SER 59 N 3.87 0.09 -0.10 3.68 2.88 -0.96 -4.85 113.62 118.23 1z5f n SER 59 Ca -0.24 0.68 0.15 0.00 -1.33 0.00 0.00 58.87 58.13 1z5f n SER 59 Cb 0.52 -1.35 0.82 0.00 -0.75 0.00 0.00 64.21 63.45 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 -1.40 1.14 0.00 -1.46 1.74 -1.26 -4.80 116.66 110.63 1z5f n ARG 60 Ca 0.12 -0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 1z5f n ARG 60 Cb 0.49 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 1z5f n ARG 60 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1z5f n ASP 61 N -0.73 0.00 -4.06 0.55 2.03 -1.26 -5.11 116.55 107.97 1z5f n ASP 61 Ca 0.22 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.43 1z5f n ASP 61 Cb 0.16 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.48 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 0.40 -0.14 -1.67 0.00 -1.26 -2.50 121.76 115.58 1z5f s ALA 62 Ca 0.00 -1.19 -0.07 0.00 0.00 0.00 0.00 51.96 50.69 1z5f s ALA 62 Cb 0.00 1.05 0.06 0.00 0.00 0.00 0.00 23.12 24.22 1z5f s ALA 62 CO 0.00 -0.65 0.34 -0.06 0.00 0.00 0.00 175.76 175.39 1z5f s PHE 63 N -4.04 -0.49 -0.39 0.00 0.40 -0.55 -4.72 117.98 108.19 1z5f s PHE 63 Ca 0.25 1.08 -0.29 0.00 -0.60 0.00 0.00 56.93 57.38 1z5f s PHE 63 Cb 0.04 0.16 0.02 0.00 0.51 0.00 0.00 43.02 43.76 1z5f s PHE 63 CO 0.05 -0.31 1.08 -1.17 0.70 0.00 0.00 175.22 175.58 1z5f s LEU 64 N 1.46 3.83 -0.07 -0.37 0.20 -1.26 -2.51 118.68 119.96 1z5f s LEU 64 Ca -0.09 0.75 0.05 0.00 0.69 0.00 0.00 54.13 55.54 1z5f s LEU 64 Cb -0.10 -3.51 -0.01 0.00 -0.43 0.00 0.00 46.19 42.15 1z5f s LEU 64 CO -0.11 -1.03 -0.23 -1.48 -0.29 0.00 0.00 176.35 173.21 1z5f s LEU 65 N 3.95 2.04 0.51 -0.68 2.34 -1.01 -2.29 118.68 123.53 1z5f s LEU 65 Ca 0.45 -0.50 -0.19 0.00 0.06 0.00 0.00 54.13 53.95 1z5f s LEU 65 Cb -0.10 -1.31 -0.08 0.00 -0.56 0.00 0.00 46.19 44.14 1z5f s LEU 65 CO 0.22 0.20 1.04 -2.16 -1.06 0.00 0.00 176.35 174.60 1z5f s PRO 66 N 0.05 3.71 -0.10 1.48 0.04 -1.22 -3.29 135.00 135.66 1z5f s PRO 66 Ca -0.09 1.33 -0.05 0.00 0.04 0.00 0.00 61.00 62.23 1z5f s PRO 66 Cb -0.15 -2.08 0.05 0.00 0.04 0.00 0.00 34.50 32.36 1z5f s PRO 66 CO 0.05 -0.51 0.24 -1.14 0.04 0.00 0.00 177.00 175.68 1z5f s GLN 67 N -3.41 0.20 -0.07 4.56 -0.44 0.56 -2.19 119.66 118.87 1z5f s GLN 67 Ca 0.67 0.52 -0.10 0.00 -2.50 0.00 0.00 55.36 53.94 1z5f s GLN 67 Cb -0.16 -0.13 -0.05 0.00 -1.64 0.00 0.00 33.01 31.03 1z5f s GLN 67 CO 0.23 -0.16 0.26 0.00 0.50 0.00 0.00 175.29 176.12 1z5f s ASP 69 N -0.97 2.23 -0.12 0.00 2.15 -0.95 -2.29 116.67 116.73 1z5f s ASP 69 Ca 0.19 -0.47 -0.29 0.00 0.43 0.00 0.00 52.55 52.40 1z5f s ASP 69 Cb -0.14 -0.44 -0.01 0.00 -0.30 0.00 0.00 42.92 42.03 1z5f s ASP 69 CO 0.08 -0.27 0.99 -0.60 -0.17 0.00 0.00 175.17 175.19 1z5f s ARG 70 N 1.98 4.40 0.00 4.34 3.52 0.53 -0.74 118.95 132.98 1z5f s ARG 70 Ca 0.02 1.35 0.00 0.00 -0.13 0.00 0.00 55.73 56.97 1z5f s ARG 70 Cb -0.15 -3.55 0.00 0.00 -1.56 0.00 0.00 34.95 29.69 1z5f s ARG 70 CO -0.07 -0.32 0.00 -0.89 -0.81 0.00 0.00 175.30 173.21 1z5f n ILE 71 N 4.59 0.00 -4.27 4.11 5.41 -1.26 -4.98 119.36 122.96 1z5f n ILE 71 Ca 0.08 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.67 1z5f n ILE 71 Cb 0.49 -0.14 -0.09 0.00 -0.71 0.00 0.00 39.64 39.18 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 -1.05 1.49 0.40 0.38 -2.85 -1.26 -5.11 119.74 111.74 1z5f s LYS 72 Ca 0.00 -1.83 0.00 0.00 -1.00 0.00 0.00 55.97 53.14 1z5f s LYS 72 Cb 0.00 0.18 0.00 0.00 -2.06 0.00 0.00 37.83 35.95 1z5f s LYS 72 CO 0.00 -0.49 0.00 1.28 0.10 0.00 0.00 175.35 176.24 1z5f n LEU 73 N -0.47 -0.77 -0.03 2.77 4.32 -1.26 -4.32 117.00 117.24 1z5f n LEU 73 Ca 0.03 1.73 -0.01 0.00 -0.02 0.00 0.00 56.01 57.74 1z5f n LEU 73 Cb 0.65 -4.40 -0.00 0.00 -1.62 0.00 0.00 43.42 38.04 1z5f n LEU 73 CO 0.33 -3.24 -0.06 1.55 -1.22 0.00 0.00 177.39 174.75 1z5f h PRO 74 N -1.34 0.00 -1.65 3.23 0.13 -2.03 -3.41 132.00 126.93 1z5f h PRO 74 Ca -0.04 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.44 1z5f h PRO 74 Cb 1.34 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 32.11 1z5f h PRO 74 CO 0.03 0.00 -0.10 0.00 -0.23 0.00 0.00 178.00 177.70 1z5f s HIS 76 N -3.73 2.32 0.16 0.00 5.04 -1.26 -4.95 115.29 112.87 1z5f s HIS 76 Ca 0.50 -0.35 0.00 0.00 -1.54 0.00 0.00 55.06 53.67 1z5f s HIS 76 Cb 0.42 -1.17 -0.04 0.00 0.04 0.00 0.00 32.58 31.82 1z5f s HIS 76 CO -0.26 0.47 0.03 0.71 -2.34 0.00 0.00 174.74 173.35 1z5f s TYR 77 N -1.56 1.06 -0.08 3.88 1.51 -1.26 -4.44 117.35 116.46 1z5f s TYR 77 Ca 0.20 -1.12 -0.02 0.00 -1.01 0.00 0.00 57.07 55.12 1z5f s TYR 77 Cb -0.08 -0.61 -0.03 0.00 -0.11 0.00 0.00 41.96 41.13 1z5f s TYR 77 CO 0.09 -0.36 0.00 0.21 -1.11 0.00 0.00 175.55 174.39 1z5f s LYS 78 N -3.98 2.97 -0.20 -0.62 2.36 0.08 -4.83 119.74 115.52 1z5f s LYS 78 Ca 0.24 -0.42 -0.24 0.00 -2.55 0.00 0.00 55.97 53.00 1z5f s LYS 78 Cb 0.07 -2.78 -0.01 0.00 -1.05 0.00 0.00 37.83 34.05 1z5f s LYS 78 CO 0.03 0.70 0.80 -1.17 1.55 0.00 0.00 175.35 177.26 1z5f s LEU 79 N -0.96 4.14 -0.10 5.43 1.98 -1.26 -2.23 118.68 125.68 1z5f s LEU 79 Ca 0.14 1.08 -0.04 0.00 -2.89 0.00 0.00 54.13 52.42 1z5f s LEU 79 Cb -0.11 -3.16 0.05 0.00 0.66 0.00 0.00 46.19 43.62 1z5f s LEU 79 CO 0.03 -0.41 0.20 -0.55 -1.89 0.00 0.00 176.35 173.73 1z5f s SER 80 N 1.22 0.26 0.10 3.68 0.15 -0.67 -4.99 113.70 113.44 1z5f s SER 80 Ca 0.36 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.44 1z5f s SER 80 Cb -0.16 0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 64.51 1z5f s SER 80 CO 0.11 -0.21 -0.02 -0.94 1.20 0.00 0.00 173.24 173.38 1z5f s SER 81 N 1.88 0.72 0.16 5.45 1.04 -1.26 -0.32 113.70 121.37 1z5f s SER 81 Ca -0.03 -1.07 -0.24 0.00 0.48 0.00 0.00 55.95 55.10 1z5f s SER 81 Cb -0.12 0.18 0.06 0.00 0.10 0.00 0.00 66.02 66.25 1z5f s SER 81 CO -0.07 -0.59 0.69 -0.94 0.98 0.00 0.00 173.24 173.31 1z5f s SER 82 N -3.01 -0.45 -0.25 7.02 1.04 -1.21 -4.97 113.70 111.87 1z5f s SER 82 Ca 0.14 -0.15 -0.07 0.00 0.48 0.00 0.00 55.95 56.35 1z5f s SER 82 Cb 0.07 0.59 -0.03 0.00 0.10 0.00 0.00 66.02 66.75 1z5f s SER 82 CO -0.04 -1.00 0.07 0.42 0.98 0.00 0.00 173.24 173.67 1z5f s THR 83 N -3.67 4.27 0.08 2.02 -4.23 -1.26 -2.41 115.64 110.46 1z5f s THR 83 Ca 0.04 -0.20 -0.26 0.00 -1.18 0.00 0.00 61.69 60.09 1z5f s THR 83 Cb -0.02 -3.01 0.07 0.00 1.34 0.00 0.00 72.50 70.88 1z5f s THR 83 CO -0.07 0.33 0.63 0.54 -0.54 0.00 0.00 174.62 175.51 1z5f s ASN 84 N 1.61 -0.60 0.61 3.99 2.20 -1.04 -4.62 114.94 117.09 1z5f s ASN 84 Ca 0.06 0.26 -0.18 0.00 -0.94 0.00 0.00 52.86 52.06 1z5f s ASN 84 Cb -0.15 0.57 -0.03 0.00 -2.00 0.00 0.00 41.25 39.65 1z5f s ASN 84 CO 0.03 -0.83 1.21 -0.89 -2.94 0.00 0.00 177.10 173.68 1z5f s THR 85 N -2.81 2.58 0.05 0.54 2.01 -1.04 -1.48 115.64 115.48 1z5f s THR 85 Ca -0.03 0.35 0.04 0.00 0.31 0.00 0.00 61.69 62.36 1z5f s THR 85 Cb -0.01 -3.11 -0.02 0.00 0.01 0.00 0.00 72.50 69.37 1z5f s THR 85 CO -0.05 -0.09 -0.11 0.27 -0.69 0.00 0.00 174.62 173.95 1z5f s ILE 86 N -1.63 0.88 -0.14 1.82 -4.36 -1.23 -0.33 121.20 116.22 1z5f s ILE 86 Ca 0.77 -1.04 -0.05 0.00 -0.26 0.00 0.00 60.65 60.07 1z5f s ILE 86 Cb -0.31 -0.85 -0.04 0.00 1.25 0.00 0.00 42.46 42.52 1z5f s ILE 86 CO 0.35 -0.16 0.05 0.00 0.24 0.00 0.00 174.94 175.41 1z5f s ILE 88 N -0.31 0.12 -0.22 0.00 2.07 -1.03 -1.53 121.20 120.30 1z5f s ILE 88 Ca 0.08 -0.98 -0.09 0.00 -1.41 0.00 0.00 60.65 58.25 1z5f s ILE 88 Cb -0.12 -1.06 -0.05 0.00 0.13 0.00 0.00 42.46 41.37 1z5f s ILE 88 CO 0.02 -0.54 0.12 -0.89 -1.91 0.00 0.00 174.94 171.74 1z5f s THR 89 N -3.00 5.16 0.02 4.00 2.01 -0.39 -0.83 115.64 122.61 1z5f s THR 89 Ca -0.02 0.10 0.07 0.00 0.31 0.00 0.00 61.69 62.16 1z5f s THR 89 Cb 0.01 -3.37 -0.02 0.00 0.01 0.00 0.00 72.50 69.12 1z5f s THR 89 CO -0.06 0.40 -0.20 0.00 -0.69 0.00 0.00 174.62 174.06 1z5f n VAL 91 N 2.10 0.00 -0.30 0.00 3.14 -0.88 -2.14 118.33 120.25 1z5f n VAL 91 Ca -0.16 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.34 1z5f n VAL 91 Cb 0.53 0.00 0.29 0.00 -1.06 0.00 0.00 33.84 33.60 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 0.20 0.00 6.55 4.21 -1.73 -3.21 115.58 121.61 1z5f h ASN 92 Ca 0.00 0.16 -0.10 0.00 1.21 0.00 0.00 56.30 57.58 1z5f h ASN 92 Cb 0.00 0.18 -0.09 0.00 -1.12 0.00 0.00 38.32 37.29 1z5f h ASN 92 CO 0.00 -0.05 0.05 0.00 -1.29 0.00 0.00 177.43 176.14 1z5f n GLN 93 N -5.11 0.39 -3.58 0.81 10.64 -1.26 -3.56 117.38 115.71 1z5f n GLN 93 Ca 0.21 -0.80 -0.10 0.00 -1.83 0.00 0.00 57.00 54.47 1z5f n GLN 93 Cb 0.64 0.02 -0.10 0.00 -0.86 0.00 0.00 30.24 29.93 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 -2.15 -0.52 0.13 2.61 1.02 -1.26 -4.65 118.68 113.85 1z5f s LEU 94 Ca 0.06 0.64 -0.30 0.00 0.02 0.00 0.00 54.13 54.55 1z5f s LEU 94 Cb 0.13 1.07 -0.07 0.00 0.02 0.00 0.00 46.19 47.34 1z5f s LEU 94 CO -0.03 -0.25 1.13 -2.16 0.02 0.00 0.00 176.35 175.05 1z5f s PRO 95 N 2.53 4.53 0.00 1.29 0.04 -1.26 -2.08 135.00 140.05 1z5f s PRO 95 Ca 0.03 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1z5f s PRO 95 Cb -0.13 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1z5f s PRO 95 CO -0.12 -0.05 0.00 0.44 0.04 0.00 0.00 177.00 177.31 1z5f n ILE 96 N 3.00 0.00 -4.88 0.56 -6.64 -1.14 -3.82 119.36 106.44 1z5f n ILE 96 Ca 0.05 0.00 -0.30 0.00 -1.77 0.00 0.00 62.75 60.73 1z5f n ILE 96 Cb 0.46 0.39 -0.17 0.00 -1.44 0.00 0.00 39.64 38.89 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 2.21 -0.45 4.28 3.76 -1.10 -4.42 115.29 119.56 1z5f s HIS 97 Ca 0.00 -0.94 -0.17 0.00 -0.15 0.00 0.00 55.06 53.80 1z5f s HIS 97 Cb 0.00 -1.52 0.04 0.00 1.11 0.00 0.00 32.58 32.21 1z5f s HIS 97 CO 0.00 -0.42 0.45 0.12 -0.85 0.00 0.00 174.74 174.04 1z5f s PHE 98 N 0.58 3.17 0.00 1.40 5.36 -1.26 -1.27 117.98 125.97 1z5f s PHE 98 Ca -0.14 -0.57 0.00 0.00 -0.96 0.00 0.00 56.93 55.25 1z5f s PHE 98 Cb -0.17 -3.05 0.00 0.00 -0.34 0.00 0.00 43.02 39.46 1z5f s PHE 98 CO 0.05 -0.78 0.74 0.00 -1.46 0.00 0.00 175.22 173.77 1z5f n ALA 99 N 5.56 -0.26 -2.97 11.12 0.00 -0.58 -4.98 120.51 128.40 1z5f n ALA 99 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1z5f n ALA 99 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 -0.64 1.88 3.95 0.00 0.00 -1.22 -5.04 105.19 104.13 1z5f n GLY 100 Ca 0.00 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.89 5.20 0.00 1.61 1.01 -1.26 -4.06 120.40 122.01 1z5f s VAL 101 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1z5f s VAL 101 Cb 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1z5f s VAL 101 CO 0.00 -0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.42 1z5f n GLY 102 N -1.23 -0.79 3.79 4.51 0.00 0.55 -4.70 105.19 107.32 1z5f n GLY 102 Ca -0.09 -1.04 -0.38 0.00 0.00 0.00 0.00 46.02 44.52 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 7.25 0.71 1.61 1.04 -1.24 -2.68 113.70 116.38 1z5f s SER 103 Ca 0.00 1.58 -0.15 0.00 0.48 0.00 0.00 55.95 57.86 1z5f s SER 103 Cb 0.00 -2.48 0.03 0.00 0.10 0.00 0.00 66.02 63.67 1z5f s SER 103 CO 0.00 0.10 1.19 0.00 0.98 0.00 0.00 173.24 175.51