#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 0.34 0.00 1.24 -0.00 -1.85 0.21 115.95 115.89 1z5f h TRP 3 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.90 1z5f h TRP 3 Cb 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 29.16 29.06 1z5f h TRP 3 CO 0.00 0.05 0.00 -1.91 -0.00 0.00 0.00 178.44 176.58 1z5f n GLU 4 N -4.43 0.00 -0.18 2.65 2.13 -1.26 -0.86 120.64 118.68 1z5f n GLU 4 Ca 0.22 0.13 -0.00 0.00 0.66 0.00 0.00 57.16 58.17 1z5f n GLU 4 Cb 0.92 -1.12 0.09 0.00 0.27 0.00 0.00 31.44 31.60 1z5f n GLU 4 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1z5f h THR 5 N 0.00 0.56 -0.31 6.31 1.03 -1.94 1.39 112.91 119.95 1z5f h THR 5 Ca 0.00 -0.05 0.09 0.00 -0.01 0.00 0.00 66.41 66.44 1z5f h THR 5 Cb 0.00 0.41 -0.01 0.00 -1.07 0.00 0.00 68.15 67.48 1z5f h THR 5 CO 0.00 0.03 0.59 0.15 -0.01 0.00 0.00 175.52 176.27 1z5f h PHE 6 N 0.14 0.00 0.00 0.00 3.57 -0.59 2.35 116.94 122.41 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 -0.33 0.00 -1.02 0.94 -2.23 0.00 0.00 178.31 175.67 1z5f n GLN 7 N -3.22 0.61 -0.10 1.11 0.00 0.47 -2.86 117.38 113.38 1z5f n GLN 7 Ca 0.06 0.13 -0.22 0.00 -0.00 0.00 0.00 57.00 56.97 1z5f n GLN 7 Cb 0.72 -1.83 -0.11 0.00 0.00 0.00 0.00 30.24 29.02 1z5f n GLN 7 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1z5f h LYS 8 N 0.00 0.00 0.12 3.69 1.79 0.49 -3.32 116.57 119.34 1z5f h LYS 8 Ca -0.01 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 58.11 1z5f h LYS 8 Cb 1.02 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.66 1z5f h LYS 8 CO 0.00 0.98 -1.94 0.36 -1.08 0.00 0.00 179.45 177.78 1z5f n LYS 9 N -4.43 0.75 0.00 3.15 2.85 0.45 -4.22 118.16 116.70 1z5f n LYS 9 Ca -0.32 0.29 0.14 0.00 -1.05 0.00 0.00 58.31 57.36 1z5f n LYS 9 Cb 0.68 -1.72 0.54 0.00 -0.65 0.00 0.00 35.03 33.88 1z5f n LYS 9 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1z5f n HIS 10 N -3.56 0.00 -3.98 5.58 8.25 -1.14 -4.60 115.22 115.78 1z5f n HIS 10 Ca -0.32 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.06 1z5f n HIS 10 Cb 1.02 -0.24 -0.10 0.00 1.12 0.00 0.00 29.99 31.79 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 -2.64 2.07 0.00 2.41 1.02 -1.18 -0.35 118.68 120.00 1z5f s LEU 11 Ca 0.23 -0.62 0.00 0.00 0.02 0.00 0.00 54.13 53.77 1z5f s LEU 11 Cb 0.19 0.38 0.00 0.00 0.02 0.00 0.00 46.19 46.78 1z5f s LEU 11 CO 0.52 -0.47 0.00 1.07 0.02 0.00 0.00 176.35 177.50 1z5f n THR 12 N 0.88 0.00 -0.01 5.49 5.66 -1.10 -4.31 114.28 120.88 1z5f n THR 12 Ca -0.19 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 1z5f n THR 12 Cb 0.58 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.36 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 -1.20 1.77 -3.84 1.09 8.00 -1.26 -4.38 116.55 116.74 1z5f n ASP 13 Ca 0.00 -1.78 -0.11 0.00 0.71 0.00 0.00 54.79 53.61 1z5f n ASP 13 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 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 -0.78 0.08 -0.30 -3.53 -1.32 -1.26 -5.01 115.64 103.53 1z5f s THR 14 Ca 0.00 -0.70 0.28 0.00 -1.21 0.00 0.00 61.69 60.06 1z5f s THR 14 Cb 0.00 -0.60 0.33 0.00 -1.51 0.00 0.00 72.50 70.72 1z5f s THR 14 CO 0.00 -0.38 1.79 0.07 -2.21 0.00 0.00 174.62 173.89 1z5f h LYS 15 N 3.96 0.00 -2.26 7.08 2.10 -1.96 -3.29 116.57 122.20 1z5f h LYS 15 Ca -0.31 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 57.73 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 0.42 0.00 -0.51 1.63 -2.00 0.00 0.00 179.45 178.99 1z5f n LYS 16 N -2.81 3.06 -0.72 0.07 5.02 -1.26 -4.35 118.16 117.17 1z5f n LYS 16 Ca 0.03 -4.77 -0.33 0.00 -2.02 0.00 0.00 58.31 51.22 1z5f n LYS 16 Cb 0.38 -2.27 0.15 0.00 -0.02 0.00 0.00 35.03 33.27 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 0.27 0.00 -2.72 -0.18 0.24 -1.24 -4.85 118.33 109.85 1z5f n VAL 17 Ca 0.31 -0.26 -0.42 0.00 -2.04 0.00 0.00 64.34 61.93 1z5f n VAL 17 Cb 0.39 -0.59 0.02 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 -1.82 5.14 -0.29 7.34 -0.00 -1.26 -4.84 118.16 122.43 1z5f n LYS 18 Ca 0.03 -4.59 0.24 0.00 -0.00 0.00 0.00 58.31 53.98 1z5f n LYS 18 Cb 0.59 -2.49 0.40 0.00 -0.00 0.00 0.00 35.03 33.53 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 0.32 0.00 0.00 3.58 -1.92 -0.94 116.42 117.47 1z5f h ASP 20 Ca 0.50 0.18 -0.28 0.00 0.42 0.00 0.00 57.03 57.85 1z5f h ASP 20 Cb 1.69 0.17 -0.05 0.00 1.72 0.00 0.00 39.33 42.86 1z5f h ASP 20 CO -0.22 -0.09 -2.05 0.52 -2.88 0.00 0.00 179.24 174.52 1z5f n VAL 21 N -5.09 1.06 0.00 2.25 0.31 0.28 -2.00 118.33 115.13 1z5f n VAL 21 Ca 0.26 -0.59 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1z5f n VAL 21 Cb 0.79 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 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 -2.68 0.00 0.00 5.55 4.07 -0.76 -1.24 120.64 125.58 1z5f n GLU 22 Ca -0.27 0.15 0.00 0.00 -0.06 0.00 0.00 57.16 56.98 1z5f n GLU 22 Cb 0.96 -1.52 0.00 0.00 -0.06 0.00 0.00 31.44 30.83 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 -1.11 0.00 0.00 5.31 2.81 -0.41 -4.78 117.12 118.94 1z5f n MET 23 Ca 0.00 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 55.99 1z5f n MET 23 Cb 0.02 -0.28 0.60 0.00 -0.71 0.00 0.00 33.22 32.85 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 -2.19 2.39 -1.00 3.04 0.00 -0.85 0.06 120.51 121.96 1z5f n ALA 24 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1z5f n ALA 24 Cb 0.07 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 -0.91 1.41 0.00 0.00 2.85 -0.37 -4.52 118.16 116.61 1z5f n LYS 25 Ca 0.15 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.41 1z5f n LYS 25 Cb 0.07 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.45 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 1.97 1.35 0.58 0.00 -1.26 -4.18 120.51 115.97 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 0.01 0.53 0.00 0.00 0.00 0.00 19.45 19.99 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 -1.50 0.67 0.00 0.00 -0.00 -1.26 -4.22 117.00 110.69 1z5f n LEU 27 Ca 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 1z5f n LEU 27 Cb 0.02 -0.16 0.00 0.00 -0.00 0.00 0.00 43.42 43.28 1z5f n LEU 27 CO 0.00 0.12 -0.47 0.49 -0.00 0.00 0.00 177.39 177.54 1z5f n PHE 28 N -0.84 0.00 -2.27 1.47 3.72 -1.26 -5.04 117.46 113.24 1z5f n PHE 28 Ca 0.14 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.49 1z5f n PHE 28 Cb 0.30 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 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 -2.35 -2.31 -3.07 4.37 8.00 -1.10 -4.18 116.55 115.92 1z5f n ASP 29 Ca 0.00 -0.04 -0.05 0.00 0.71 0.00 0.00 54.79 55.41 1z5f n ASP 29 Cb 0.47 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.12 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 -1.37 0.00 0.00 0.00 4.76 -1.26 -4.95 118.16 115.34 1z5f n LYS 31 Ca 0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1z5f n LYS 31 Cb 0.51 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.70 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 -5.01 118.16 112.64 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 -0.24 -0.13 0.00 -0.65 0.00 0.00 35.03 34.01 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 0.39 -0.00 0.58 -1.32 -1.26 -1.30 115.64 111.73 1z5f s THR 33 Ca 0.00 -0.63 -0.29 0.00 -1.21 0.00 0.00 61.69 59.56 1z5f s THR 33 Cb 0.00 -0.41 0.08 0.00 -1.51 0.00 0.00 72.50 70.66 1z5f s THR 33 CO 0.00 -0.17 0.70 0.20 -2.21 0.00 0.00 174.62 173.13 1z5f s ASN 34 N -0.86 -0.60 0.06 8.08 -0.87 -0.97 -4.96 114.94 114.82 1z5f s ASN 34 Ca -0.05 0.46 0.01 0.00 -1.57 0.00 0.00 52.86 51.71 1z5f s ASN 34 Cb -0.06 0.53 -0.03 0.00 -0.02 0.00 0.00 41.25 41.67 1z5f s ASN 34 CO -0.00 -0.68 -0.06 -0.89 -2.57 0.00 0.00 177.10 172.89 1z5f s THR 35 N -1.97 0.48 0.35 1.60 2.01 -1.26 -0.47 115.64 116.38 1z5f s THR 35 Ca -0.06 -1.39 -0.04 0.00 0.31 0.00 0.00 61.69 60.51 1z5f s THR 35 Cb -0.00 -0.98 0.01 0.00 0.01 0.00 0.00 72.50 71.54 1z5f s THR 35 CO 0.02 -0.62 0.50 -0.36 -0.69 0.00 0.00 174.62 173.48 1z5f s PHE 36 N -2.35 0.96 -0.07 4.92 0.40 -0.96 -4.59 117.98 116.30 1z5f s PHE 36 Ca -0.03 -1.24 0.04 0.00 -0.60 0.00 0.00 56.93 55.11 1z5f s PHE 36 Cb -0.03 0.00 -0.00 0.00 0.51 0.00 0.00 43.02 43.50 1z5f s PHE 36 CO -0.03 -1.17 -0.20 0.42 0.70 0.00 0.00 175.22 174.94 1z5f s ILE 37 N -3.01 1.70 -0.81 0.64 1.01 0.53 -3.50 121.20 117.75 1z5f s ILE 37 Ca 0.29 -0.84 -0.20 0.00 0.00 0.00 0.00 60.65 59.90 1z5f s ILE 37 Cb -0.01 -1.46 0.11 0.00 0.01 0.00 0.00 42.46 41.11 1z5f s ILE 37 CO 0.19 0.48 1.02 -0.47 0.00 0.00 0.00 174.94 176.16 1z5f s TYR 38 N 0.17 3.00 -0.00 3.97 5.04 -0.99 -2.72 117.35 125.83 1z5f s TYR 38 Ca -0.10 -1.13 -0.16 0.00 -2.44 0.00 0.00 57.07 53.25 1z5f s TYR 38 Cb -0.14 -4.24 0.03 0.00 0.35 0.00 0.00 41.96 37.96 1z5f s TYR 38 CO 0.05 -1.49 0.34 0.00 -1.34 0.00 0.00 175.55 173.11 1z5f s ALA 39 N 2.98 -0.86 0.29 3.97 0.00 -1.26 -4.77 121.76 122.11 1z5f s ALA 39 Ca 0.27 0.34 -0.20 0.00 0.00 0.00 0.00 51.96 52.37 1z5f s ALA 39 Cb -0.11 0.14 -0.09 0.00 0.00 0.00 0.00 23.12 23.06 1z5f s ALA 39 CO -0.02 -0.31 0.80 -0.48 0.00 0.00 0.00 175.76 175.74 1z5f s LEU 40 N -1.51 4.23 0.18 0.00 0.05 -1.26 -4.83 118.68 115.54 1z5f s LEU 40 Ca -0.11 1.50 -0.17 0.00 0.05 0.00 0.00 54.13 55.40 1z5f s LEU 40 Cb -0.04 -3.89 0.14 0.00 -2.05 0.00 0.00 46.19 40.35 1z5f s LEU 40 CO 0.03 -0.09 1.29 -2.65 -0.55 0.00 0.00 176.35 174.38 1z5f n PRO 41 N 0.29 -0.23 -0.09 1.48 -0.02 -1.26 -0.32 135.00 134.84 1z5f n PRO 41 Ca 0.01 1.27 -0.06 0.00 -2.02 0.00 0.00 63.50 62.70 1z5f n PRO 41 Cb 0.52 -1.89 -0.00 0.00 -0.02 0.00 0.00 33.50 32.11 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 0.24 2.00 -1.23 0.00 -1.98 0.15 103.07 102.25 1z5f h GLY 42 Ca 0.25 0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.66 1z5f h GLY 42 CO -0.82 -0.13 -0.15 -0.09 0.00 0.00 0.00 176.54 175.36 1z5f h ARG 43 N 0.00 0.00 0.08 4.80 9.65 -1.05 0.20 114.38 128.06 1z5f h ARG 43 Ca 0.16 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.04 1z5f h ARG 43 Cb 0.24 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 1z5f h ARG 43 CO -0.34 0.15 -0.04 0.28 2.80 0.00 0.00 179.97 182.82 1z5f h VAL 44 N 0.00 0.33 0.00 0.20 2.07 0.88 -2.18 116.25 117.55 1z5f h VAL 44 Ca -0.00 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1z5f h VAL 44 Cb 0.35 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1z5f h VAL 44 CO 0.02 0.10 0.00 0.11 0.02 0.00 0.00 177.57 177.82 1z5f h LYS 45 N -1.01 0.00 0.07 1.57 1.57 -0.80 -2.05 116.57 115.91 1z5f h LYS 45 Ca -0.01 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.53 1z5f h LYS 45 Cb 0.25 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1z5f h LYS 45 CO 0.02 0.00 -1.09 0.00 -0.57 0.00 0.00 179.45 177.81 1z5f h ALA 46 N 2.00 0.25 0.00 3.86 0.00 -0.65 -3.11 119.26 121.61 1z5f h ALA 46 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1z5f h ALA 46 Cb 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1z5f h ALA 46 CO 0.00 0.94 0.05 1.28 0.00 0.00 0.00 179.25 181.52 1z5f n LEU 47 N -3.60 0.00 -2.70 0.00 4.77 -0.77 -1.88 117.00 112.82 1z5f n LEU 47 Ca -0.07 0.34 -0.07 0.00 -0.03 0.00 0.00 56.01 56.19 1z5f n LEU 47 Cb 0.93 -0.34 0.04 0.00 -2.33 0.00 0.00 43.42 41.72 1z5f n LEU 47 CO 0.52 -0.34 -0.07 0.00 -1.33 0.00 0.00 177.39 176.16 1z5f s LYS 49 N -3.16 4.00 0.00 0.00 -2.85 -0.79 -3.96 119.74 112.98 1z5f s LYS 49 Ca 0.27 0.23 0.00 0.00 -1.00 0.00 0.00 55.97 55.47 1z5f s LYS 49 Cb 0.43 -3.31 0.00 0.00 -2.06 0.00 0.00 37.83 32.89 1z5f s LYS 49 CO 0.02 0.50 0.00 -1.71 0.10 0.00 0.00 175.35 174.26 1z5f n ASN 50 N 2.61 -1.04 -3.94 0.03 4.05 -1.26 -5.01 115.26 110.70 1z5f n ASN 50 Ca -0.13 0.00 -0.30 0.00 0.45 0.00 0.00 54.58 54.60 1z5f n ASN 50 Cb 0.52 -0.47 0.26 0.00 1.23 0.00 0.00 39.78 41.32 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 -3.09 1.60 0.00 -1.44 -1.09 -1.25 -5.05 121.20 110.87 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 -2.23 0.00 0.00 -1.58 0.00 0.00 42.46 38.65 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 -5.08 0.00 0.00 2.79 3.00 -1.26 -4.63 116.66 111.48 1z5f n ARG 52 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.94 1z5f n ARG 52 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.04 1z5f n ARG 52 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1z5f n ASP 53 N 0.00 0.00 -4.59 6.15 8.00 -1.26 -3.65 116.55 121.21 1z5f n ASP 53 Ca 0.00 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 1z5f n ASP 53 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1z5f n ASP 53 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1z5f s ASN 54 N -0.97 5.45 0.09 -2.24 0.01 -1.24 -3.86 114.94 112.17 1z5f s ASN 54 Ca 0.00 1.35 -0.06 0.00 -0.71 0.00 0.00 52.86 53.44 1z5f s ASN 54 Cb 0.00 -2.52 -0.01 0.00 0.41 0.00 0.00 41.25 39.13 1z5f s ASN 54 CO 0.00 -2.05 0.13 -0.89 -1.51 0.00 0.00 177.10 172.78 1z5f s THR 55 N 8.44 0.16 -0.25 1.60 2.01 -0.99 -4.99 115.64 121.60 1z5f s THR 55 Ca 0.88 -1.40 -0.13 0.00 0.31 0.00 0.00 61.69 61.35 1z5f s THR 55 Cb -0.24 -1.46 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 1z5f s THR 55 CO 0.31 -0.71 0.26 -1.81 -0.69 0.00 0.00 174.62 171.99 1z5f s ASP 56 N -2.89 6.18 0.53 3.53 1.11 -1.26 -2.25 116.67 121.62 1z5f s ASP 56 Ca 0.07 0.19 0.02 0.00 0.18 0.00 0.00 52.55 53.02 1z5f s ASP 56 Cb 0.06 -2.16 0.01 0.00 1.07 0.00 0.00 42.92 41.90 1z5f s ASP 56 CO -0.09 -0.05 0.16 0.68 1.18 0.00 0.00 175.17 177.04 1z5f s VAL 57 N 1.55 1.30 -0.18 -1.27 -7.23 0.65 -4.97 120.40 110.25 1z5f s VAL 57 Ca 0.11 -1.80 -0.20 0.00 -1.81 0.00 0.00 61.98 58.28 1z5f s VAL 57 Cb -0.15 -2.10 0.05 0.00 0.56 0.00 0.00 36.38 34.74 1z5f s VAL 57 CO 0.08 0.00 0.54 -0.22 -0.31 0.00 0.00 175.10 175.19 1z5f s LEU 58 N -4.05 -0.07 0.63 1.32 2.96 -1.26 -1.58 118.68 116.63 1z5f s LEU 58 Ca 0.15 1.00 -0.18 0.00 -0.22 0.00 0.00 54.13 54.89 1z5f s LEU 58 Cb -0.00 1.89 -0.04 0.00 0.50 0.00 0.00 46.19 48.53 1z5f s LEU 58 CO 0.09 -0.24 0.88 -1.20 -1.32 0.00 0.00 176.35 174.57 1z5f n SER 59 N 2.54 0.37 -0.86 3.68 7.64 -1.10 -4.85 113.62 121.04 1z5f n SER 59 Ca -0.14 0.76 0.05 0.00 1.01 0.00 0.00 58.87 60.54 1z5f n SER 59 Cb 0.56 -1.36 0.18 0.00 -1.01 0.00 0.00 64.21 62.58 1z5f n SER 59 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1z5f n ARG 60 N -1.05 2.22 0.00 1.43 1.74 -1.26 -4.75 116.66 114.99 1z5f n ARG 60 Ca 0.13 -1.42 0.00 0.00 -0.77 0.00 0.00 57.85 55.79 1z5f n ARG 60 Cb 0.48 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 1z5f n ARG 60 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1z5f n ASP 61 N 0.50 0.00 -3.82 0.55 5.75 -1.26 -5.12 116.55 113.16 1z5f n ASP 61 Ca 0.13 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.82 1z5f n ASP 61 Cb 0.45 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.51 1z5f n ASP 61 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1z5f s ALA 62 N -1.00 -0.98 -0.15 2.12 0.00 -1.26 -2.49 121.76 118.00 1z5f s ALA 62 Ca 0.00 -0.33 -0.13 0.00 0.00 0.00 0.00 51.96 51.50 1z5f s ALA 62 Cb 0.00 0.90 0.04 0.00 0.00 0.00 0.00 23.12 24.06 1z5f s ALA 62 CO 0.00 -0.91 0.39 -0.06 0.00 0.00 0.00 175.76 175.18 1z5f s PHE 63 N -3.91 -0.45 -0.39 0.00 0.40 -0.85 -4.71 117.98 108.06 1z5f s PHE 63 Ca 0.12 1.08 -0.29 0.00 -0.60 0.00 0.00 56.93 57.24 1z5f s PHE 63 Cb -0.03 0.16 0.02 0.00 0.51 0.00 0.00 43.02 43.68 1z5f s PHE 63 CO 0.03 -0.23 1.11 -1.17 0.70 0.00 0.00 175.22 175.67 1z5f s LEU 64 N 0.38 3.80 -0.05 -0.37 0.20 -1.26 -2.51 118.68 118.87 1z5f s LEU 64 Ca -0.01 0.80 0.06 0.00 0.69 0.00 0.00 54.13 55.67 1z5f s LEU 64 Cb -0.04 -3.55 -0.01 0.00 -0.43 0.00 0.00 46.19 42.17 1z5f s LEU 64 CO -0.01 -1.05 -0.24 -1.48 -0.29 0.00 0.00 176.35 173.28 1z5f s LEU 65 N 4.04 2.04 0.57 -0.68 2.34 -1.01 -2.36 118.68 123.62 1z5f s LEU 65 Ca 0.47 -0.48 -0.17 0.00 0.06 0.00 0.00 54.13 54.02 1z5f s LEU 65 Cb -0.10 -1.29 -0.05 0.00 -0.56 0.00 0.00 46.19 44.19 1z5f s LEU 65 CO 0.23 0.23 1.05 -2.16 -1.06 0.00 0.00 176.35 174.64 1z5f s PRO 66 N -0.15 3.46 -0.10 1.48 0.04 -1.23 -3.29 135.00 135.21 1z5f s PRO 66 Ca -0.03 1.21 -0.05 0.00 0.04 0.00 0.00 61.00 62.17 1z5f s PRO 66 Cb -0.13 -2.05 0.04 0.00 0.04 0.00 0.00 34.50 32.40 1z5f s PRO 66 CO 0.03 -0.69 0.23 -1.14 0.04 0.00 0.00 177.00 175.47 1z5f s GLN 67 N -3.92 0.20 -0.23 4.56 0.74 0.61 -2.27 119.66 119.35 1z5f s GLN 67 Ca 0.64 0.48 -0.18 0.00 0.05 0.00 0.00 55.36 56.35 1z5f s GLN 67 Cb -0.16 -0.09 -0.03 0.00 1.10 0.00 0.00 33.01 33.83 1z5f s GLN 67 CO 0.33 -0.14 0.52 0.00 -0.55 0.00 0.00 175.29 175.45 1z5f s ASP 69 N 1.32 4.17 0.58 0.00 -1.08 -1.05 -2.28 116.67 118.34 1z5f s ASP 69 Ca 0.23 -1.26 -0.16 0.00 -0.52 0.00 0.00 52.55 50.83 1z5f s ASP 69 Cb -0.15 -1.47 -0.04 0.00 -1.46 0.00 0.00 42.92 39.79 1z5f s ASP 69 CO 0.09 -0.17 1.06 -0.60 0.52 0.00 0.00 175.17 176.07 1z5f s ARG 70 N 1.18 3.34 0.00 4.34 3.00 -0.42 -0.44 118.95 129.95 1z5f s ARG 70 Ca -0.07 1.25 0.00 0.00 -1.00 0.00 0.00 55.73 55.92 1z5f s ARG 70 Cb -0.19 -2.03 0.00 0.00 0.00 0.00 0.00 34.95 32.73 1z5f s ARG 70 CO -0.06 -0.80 0.00 1.51 0.00 0.00 0.00 175.30 175.95 1z5f n ILE 71 N -1.90 0.00 -4.50 4.11 3.06 -1.26 -4.91 119.36 113.96 1z5f n ILE 71 Ca 0.09 0.00 -0.24 0.00 -2.50 0.00 0.00 62.75 60.10 1z5f n ILE 71 Cb 0.53 0.00 -0.09 0.00 0.54 0.00 0.00 39.64 40.61 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 -0.83 1.81 0.27 9.51 -2.85 -1.26 -5.08 119.74 121.30 1z5f s LYS 72 Ca 0.00 -2.06 0.00 0.00 -1.00 0.00 0.00 55.97 52.91 1z5f s LYS 72 Cb 0.00 -0.78 0.00 0.00 -2.06 0.00 0.00 37.83 34.99 1z5f s LYS 72 CO 0.00 -0.33 0.00 1.28 0.10 0.00 0.00 175.35 176.40 1z5f n LEU 73 N -0.82 -0.51 -0.07 2.77 4.32 -1.26 -4.25 117.00 117.18 1z5f n LEU 73 Ca -0.05 1.16 -0.19 0.00 -0.02 0.00 0.00 56.01 56.91 1z5f n LEU 73 Cb 0.66 -3.30 -0.13 0.00 -1.62 0.00 0.00 43.42 39.03 1z5f n LEU 73 CO 0.39 -2.17 -0.24 1.55 -1.22 0.00 0.00 177.39 175.70 1z5f h PRO 74 N -1.09 0.06 -2.21 3.23 0.13 -2.03 -3.41 132.00 126.68 1z5f h PRO 74 Ca -0.02 -0.11 -0.58 0.00 -0.87 0.00 0.00 66.00 64.42 1z5f h PRO 74 Cb 1.23 0.04 -0.42 0.00 0.13 0.00 0.00 31.00 31.98 1z5f h PRO 74 CO 0.02 1.05 -0.71 0.00 -0.23 0.00 0.00 178.00 178.14 1z5f s HIS 76 N -3.37 0.99 0.17 0.00 5.04 -1.26 -4.95 115.29 111.91 1z5f s HIS 76 Ca 0.48 -0.61 0.00 0.00 -1.54 0.00 0.00 55.06 53.40 1z5f s HIS 76 Cb 0.29 -0.55 -0.04 0.00 0.04 0.00 0.00 32.58 32.32 1z5f s HIS 76 CO -0.14 -0.02 0.04 0.71 -2.34 0.00 0.00 174.74 173.00 1z5f s TYR 77 N -2.10 1.12 0.04 3.88 2.02 -1.26 -4.35 117.35 116.69 1z5f s TYR 77 Ca 0.01 -1.15 0.02 0.00 -0.37 0.00 0.00 57.07 55.59 1z5f s TYR 77 Cb -0.05 -0.63 -0.04 0.00 -0.40 0.00 0.00 41.96 40.84 1z5f s TYR 77 CO 0.00 -0.37 0.03 0.21 -1.57 0.00 0.00 175.55 173.85 1z5f s LYS 78 N -4.00 2.79 -0.37 -0.62 2.47 0.41 -4.82 119.74 115.61 1z5f s LYS 78 Ca 0.27 -0.67 -0.26 0.00 -1.56 0.00 0.00 55.97 53.75 1z5f s LYS 78 Cb 0.07 -2.68 0.01 0.00 -1.46 0.00 0.00 37.83 33.77 1z5f s LYS 78 CO 0.05 0.59 0.92 -1.17 0.16 0.00 0.00 175.35 175.90 1z5f s LEU 79 N -1.98 4.01 -0.07 5.43 1.98 -1.26 -2.51 118.68 124.27 1z5f s LEU 79 Ca 0.24 0.57 -0.01 0.00 -2.89 0.00 0.00 54.13 52.04 1z5f s LEU 79 Cb -0.12 -3.25 0.03 0.00 0.66 0.00 0.00 46.19 43.51 1z5f s LEU 79 CO 0.16 -0.85 0.00 -0.55 -1.89 0.00 0.00 176.35 173.22 1z5f s SER 80 N 1.87 1.49 0.06 3.68 0.15 -0.97 -4.99 113.70 115.00 1z5f s SER 80 Ca 0.38 -0.07 0.01 0.00 0.70 0.00 0.00 55.95 56.96 1z5f s SER 80 Cb -0.12 -0.42 -0.04 0.00 -1.71 0.00 0.00 66.02 63.74 1z5f s SER 80 CO 0.18 -0.19 -0.05 -0.55 1.20 0.00 0.00 173.24 173.84 1z5f s SER 81 N 1.90 0.76 0.15 5.45 0.15 -1.26 -0.29 113.70 120.57 1z5f s SER 81 Ca 0.04 -0.87 -0.24 0.00 0.70 0.00 0.00 55.95 55.57 1z5f s SER 81 Cb -0.12 0.12 0.06 0.00 -1.71 0.00 0.00 66.02 64.37 1z5f s SER 81 CO -0.05 -0.45 0.76 -0.94 1.20 0.00 0.00 173.24 173.76 1z5f s SER 82 N -2.59 -0.37 -0.27 5.45 1.04 -1.21 -4.96 113.70 110.80 1z5f s SER 82 Ca 0.03 -0.23 -0.09 0.00 0.48 0.00 0.00 55.95 56.14 1z5f s SER 82 Cb 0.02 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.67 1z5f s SER 82 CO -0.05 -0.98 0.13 0.42 0.98 0.00 0.00 173.24 173.74 1z5f s THR 83 N -3.56 4.76 0.04 2.02 -4.23 -1.26 -2.40 115.64 111.01 1z5f s THR 83 Ca 0.07 -0.08 -0.28 0.00 -1.18 0.00 0.00 61.69 60.22 1z5f s THR 83 Cb -0.02 -3.28 0.07 0.00 1.34 0.00 0.00 72.50 70.61 1z5f s THR 83 CO -0.04 0.26 0.65 0.21 -0.54 0.00 0.00 174.62 175.16 1z5f s ASN 84 N 1.67 -0.61 0.78 3.99 2.47 -1.04 -4.63 114.94 117.57 1z5f s ASN 84 Ca 0.06 0.40 -0.13 0.00 0.42 0.00 0.00 52.86 53.61 1z5f s ASN 84 Cb -0.16 0.56 0.07 0.00 -1.45 0.00 0.00 41.25 40.27 1z5f s ASN 84 CO 0.07 -0.76 1.15 -0.89 -3.72 0.00 0.00 177.10 172.95 1z5f s THR 85 N -2.32 2.64 -0.09 -5.21 2.01 -1.04 -2.02 115.64 109.62 1z5f s THR 85 Ca -0.05 0.25 -0.05 0.00 0.31 0.00 0.00 61.69 62.15 1z5f s THR 85 Cb -0.00 -2.64 0.04 0.00 0.01 0.00 0.00 72.50 69.91 1z5f s THR 85 CO -0.00 -0.23 0.22 0.27 -0.69 0.00 0.00 174.62 174.19 1z5f s ILE 86 N -2.45 -0.04 0.03 1.82 -5.25 -1.21 0.15 121.20 114.25 1z5f s ILE 86 Ca 0.68 0.13 -0.27 0.00 -0.99 0.00 0.00 60.65 60.19 1z5f s ILE 86 Cb -0.23 -0.34 -0.05 0.00 2.95 0.00 0.00 42.46 44.79 1z5f s ILE 86 CO 0.51 0.05 0.87 0.00 -1.79 0.00 0.00 174.94 174.58 1z5f s ILE 88 N 0.38 0.12 -0.08 0.00 2.07 -0.61 0.10 121.20 123.17 1z5f s ILE 88 Ca 0.44 -1.00 -0.00 0.00 -1.41 0.00 0.00 60.65 58.68 1z5f s ILE 88 Cb -0.21 -0.67 -0.03 0.00 0.13 0.00 0.00 42.46 41.68 1z5f s ILE 88 CO 0.25 -0.55 -0.05 -0.89 -1.91 0.00 0.00 174.94 171.79 1z5f s THR 89 N -2.12 3.82 0.46 4.00 2.01 -0.74 -0.25 115.64 122.82 1z5f s THR 89 Ca -0.09 -0.43 0.03 0.00 0.31 0.00 0.00 61.69 61.50 1z5f s THR 89 Cb -0.04 -2.58 -0.02 0.00 0.01 0.00 0.00 72.50 69.86 1z5f s THR 89 CO -0.03 0.59 0.05 0.00 -0.69 0.00 0.00 174.62 174.54 1z5f n VAL 91 N -1.11 0.00 -0.18 0.00 0.31 -1.25 -2.36 118.33 113.75 1z5f n VAL 91 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1z5f n VAL 91 Cb 0.66 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.59 1z5f n VAL 91 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1z5f n ASN 92 N 0.00 2.53 -1.61 4.52 3.02 -1.24 -4.08 115.26 118.40 1z5f n ASN 92 Ca 0.00 -1.63 -0.04 0.00 -0.03 0.00 0.00 54.58 52.88 1z5f n ASN 92 Cb 0.00 -0.53 0.02 0.00 -0.61 0.00 0.00 39.78 38.66 1z5f n ASN 92 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1z5f n GLN 93 N 1.66 -1.41 -3.34 3.52 3.00 -1.26 -4.98 117.38 114.57 1z5f n GLN 93 Ca 0.00 0.20 -0.12 0.00 -0.01 0.00 0.00 57.00 57.07 1z5f n GLN 93 Cb 0.25 -3.18 -0.07 0.00 0.00 0.00 0.00 30.24 27.23 1z5f n GLN 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1z5f s LEU 94 N -3.09 -0.57 -0.17 1.08 1.43 -1.26 -4.84 118.68 111.26 1z5f s LEU 94 Ca 0.01 -0.49 -0.37 0.00 -1.03 0.00 0.00 54.13 52.25 1z5f s LEU 94 Cb -0.00 0.88 -0.14 0.00 0.03 0.00 0.00 46.19 46.96 1z5f s LEU 94 CO 0.17 -0.36 1.81 -2.65 0.23 0.00 0.00 176.35 175.55 1z5f n PRO 95 N 5.34 1.71 0.00 1.29 -0.02 -1.26 -3.99 135.00 138.07 1z5f n PRO 95 Ca -0.01 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1z5f n PRO 95 Cb 0.48 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1z5f n PRO 95 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1z5f n ILE 96 N 4.85 0.00 -5.26 4.25 -6.64 -1.22 -3.97 119.36 111.37 1z5f n ILE 96 Ca 0.24 -0.00 -0.31 0.00 -1.77 0.00 0.00 62.75 60.91 1z5f n ILE 96 Cb 0.22 0.39 -0.16 0.00 -1.44 0.00 0.00 39.64 38.65 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 -0.01 2.42 -0.44 4.28 3.76 -1.06 -4.30 115.29 119.94 1z5f s HIS 97 Ca 0.00 -0.61 -0.06 0.00 -0.15 0.00 0.00 55.06 54.24 1z5f s HIS 97 Cb 0.00 -1.57 0.11 0.00 1.11 0.00 0.00 32.58 32.23 1z5f s HIS 97 CO 0.00 -0.14 0.27 0.12 -0.85 0.00 0.00 174.74 174.14 1z5f s PHE 98 N -0.33 3.49 0.00 1.40 2.19 -1.26 -1.79 117.98 121.68 1z5f s PHE 98 Ca 0.01 -2.09 0.00 0.00 0.33 0.00 0.00 56.93 55.19 1z5f s PHE 98 Cb -0.12 -3.31 0.00 0.00 -1.31 0.00 0.00 43.02 38.28 1z5f s PHE 98 CO 0.02 -0.97 0.86 0.00 1.83 0.00 0.00 175.22 176.96 1z5f n ALA 99 N 4.77 -0.32 -3.00 11.12 0.00 0.11 -4.96 120.51 128.23 1z5f n ALA 99 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1z5f n ALA 99 Cb 0.41 0.04 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 -0.87 1.31 3.81 0.00 0.00 -1.12 -4.99 105.19 103.33 1z5f n GLY 100 Ca 0.00 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.43 5.16 0.00 1.61 1.01 -1.26 -3.19 120.40 121.30 1z5f s VAL 101 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1z5f s VAL 101 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1z5f s VAL 101 CO 0.00 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1z5f n GLY 102 N 2.24 -1.14 3.84 4.51 0.00 0.39 -4.85 105.19 110.17 1z5f n GLY 102 Ca -0.14 -1.41 -0.35 0.00 0.00 0.00 0.00 46.02 44.12 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 6.90 0.32 1.61 1.04 -1.26 -2.49 113.70 115.82 1z5f s SER 103 Ca 0.00 1.20 -0.12 0.00 0.48 0.00 0.00 55.95 57.50 1z5f s SER 103 Cb 0.00 -2.33 -0.08 0.00 0.10 0.00 0.00 66.02 63.71 1z5f s SER 103 CO 0.00 0.06 0.70 0.00 0.98 0.00 0.00 173.24 174.98