#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z5l s LYS 3 N 0.00 4.04 -0.08 3.69 1.02 -1.13 -4.97 119.74 122.30 1z5l s LYS 3 Ca 0.00 -0.30 -0.25 0.00 0.02 0.00 0.00 55.97 55.43 1z5l s LYS 3 Cb 0.00 -3.29 -0.03 0.00 -0.52 0.00 0.00 37.83 33.99 1z5l s LYS 3 CO 0.00 0.27 0.80 -0.08 -0.92 0.00 0.00 175.35 175.42 1z5l s THR 4 N 0.40 4.96 0.24 2.17 -1.32 -1.25 -2.55 115.64 118.29 1z5l s THR 4 Ca 0.05 1.63 -0.31 0.00 -1.21 0.00 0.00 61.69 61.85 1z5l s THR 4 Cb -0.12 -4.13 -0.11 0.00 -1.51 0.00 0.00 72.50 66.63 1z5l s THR 4 CO -0.00 0.17 1.63 -2.84 -2.21 0.00 0.00 174.62 171.36 1z5l s PRO 5 N 1.24 4.15 -0.04 7.08 0.02 -1.26 -4.57 135.00 141.61 1z5l s PRO 5 Ca 0.41 2.53 -0.09 0.00 0.02 0.00 0.00 61.00 63.88 1z5l s PRO 5 Cb -0.18 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.22 1z5l s PRO 5 CO 0.19 -0.66 0.25 -1.14 -0.33 0.00 0.00 177.00 175.31 1z5l s GLN 6 N 0.44 3.61 -0.06 5.54 0.74 -0.66 -4.94 119.66 124.33 1z5l s GLN 6 Ca 0.69 0.02 0.03 0.00 0.05 0.00 0.00 55.36 56.15 1z5l s GLN 6 Cb -0.47 -3.15 0.00 0.00 1.10 0.00 0.00 33.01 30.48 1z5l s GLN 6 CO 0.39 0.71 -0.16 0.42 -0.55 0.00 0.00 175.29 176.10 1z5l s ILE 7 N -1.14 1.36 -0.03 -2.34 1.01 -1.26 -1.68 121.20 117.11 1z5l s ILE 7 Ca 0.22 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.25 1z5l s ILE 7 Cb -0.14 -1.19 -0.00 0.00 0.01 0.00 0.00 42.46 41.15 1z5l s ILE 7 CO 0.11 0.40 -0.11 -1.10 0.00 0.00 0.00 174.94 174.23 1z5l s GLN 8 N 0.29 1.12 -0.08 2.79 -0.21 -0.60 -5.00 119.66 117.97 1z5l s GLN 8 Ca -0.09 -0.39 0.01 0.00 0.02 0.00 0.00 55.36 54.91 1z5l s GLN 8 Cb -0.13 -1.04 0.02 0.00 1.00 0.00 0.00 33.01 32.86 1z5l s GLN 8 CO 0.03 0.17 -0.09 0.08 -2.12 0.00 0.00 175.29 173.37 1z5l s VAL 9 N 0.05 0.98 0.18 1.09 1.01 -1.26 -1.02 120.40 121.43 1z5l s VAL 9 Ca -0.01 -0.33 -0.23 0.00 0.00 0.00 0.00 61.98 61.41 1z5l s VAL 9 Cb -0.08 -0.96 0.06 0.00 0.00 0.00 0.00 36.38 35.40 1z5l s VAL 9 CO 0.01 0.34 0.64 -0.72 0.00 0.00 0.00 175.10 175.36 1z5l s TYR 10 N 1.18 -0.45 0.21 5.22 1.13 -0.98 -4.78 117.35 118.87 1z5l s TYR 10 Ca -0.05 0.19 0.01 0.00 -1.41 0.00 0.00 57.07 55.81 1z5l s TYR 10 Cb -0.14 0.59 -0.04 0.00 -1.10 0.00 0.00 41.96 41.28 1z5l s TYR 10 CO -0.02 -0.93 0.37 -1.12 -2.51 0.00 0.00 175.55 171.34 1z5l s SER 11 N -2.78 6.35 0.11 -0.18 0.01 -0.87 -0.49 113.70 115.85 1z5l s SER 11 Ca 0.03 0.27 -0.16 0.00 1.31 0.00 0.00 55.95 57.41 1z5l s SER 11 Cb -0.02 -1.95 -0.04 0.00 0.21 0.00 0.00 66.02 64.22 1z5l s SER 11 CO -0.08 -0.04 1.56 0.03 0.41 0.00 0.00 173.24 175.11 1z5l h ARG 12 N 1.76 0.62 -6.24 12.44 2.47 -1.51 -3.47 114.38 120.46 1z5l h ARG 12 Ca -0.49 -0.19 -0.60 0.00 -1.26 0.00 0.00 59.98 57.44 1z5l h ARG 12 Cb 1.20 -0.06 -0.13 0.00 -1.65 0.00 0.00 29.97 29.33 1z5l h ARG 12 CO 0.66 0.73 -0.73 -1.01 0.56 0.00 0.00 179.97 180.18 1z5l s HIS 13 N -5.02 2.40 -0.10 3.04 3.76 -1.26 -5.05 115.29 113.06 1z5l s HIS 13 Ca -0.13 -0.30 -0.38 0.00 -0.15 0.00 0.00 55.06 54.10 1z5l s HIS 13 Cb 0.09 -1.06 -0.15 0.00 1.11 0.00 0.00 32.58 32.57 1z5l s HIS 13 CO 0.78 0.68 1.64 -2.30 -0.85 0.00 0.00 174.74 174.68 1z5l n PRO 14 N -0.63 1.40 -2.39 8.40 -0.02 -1.26 -4.86 135.00 135.65 1z5l n PRO 14 Ca -0.06 0.51 -0.43 0.00 -2.02 0.00 0.00 63.50 61.50 1z5l n PRO 14 Cb 0.59 -2.22 -0.02 0.00 -0.02 0.00 0.00 33.50 31.83 1z5l n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1z5l s PRO 15 N 2.51 3.99 -0.07 0.52 0.04 -1.26 -5.01 135.00 135.72 1z5l s PRO 15 Ca 0.92 1.40 0.05 0.00 0.04 0.00 0.00 61.00 63.40 1z5l s PRO 15 Cb -0.94 -3.87 -0.01 0.00 0.04 0.00 0.00 34.50 29.72 1z5l s PRO 15 CO 0.56 -1.03 -0.21 -2.00 0.04 0.00 0.00 177.00 174.36 1z5l s GLU 16 N 4.04 2.69 0.38 4.56 2.12 -1.26 -5.05 118.70 126.18 1z5l s GLU 16 Ca 0.57 -0.83 -0.27 0.00 0.36 0.00 0.00 54.97 54.80 1z5l s GLU 16 Cb -0.19 -2.29 -0.11 0.00 0.26 0.00 0.00 34.13 31.81 1z5l s GLU 16 CO 0.22 0.40 1.39 0.09 -0.54 0.00 0.00 175.26 176.82 1z5l n ASN 17 N 2.92 3.27 0.00 -1.70 3.02 -1.26 -2.05 115.26 119.47 1z5l n ASN 17 Ca -0.17 1.19 0.00 0.00 -0.03 0.00 0.00 54.58 55.57 1z5l n ASN 17 Cb 0.52 -1.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.13 1z5l n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1z5l n GLY 18 N 0.61 2.51 3.55 7.41 0.00 0.01 -5.00 105.19 114.27 1z5l n GLY 18 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1z5l n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1z5l s LYS 19 N 0.00 3.69 -0.04 1.61 2.20 -0.87 -4.95 119.74 121.38 1z5l s LYS 19 Ca 0.00 -0.50 -0.39 0.00 -0.36 0.00 0.00 55.97 54.72 1z5l s LYS 19 Cb 0.00 -3.71 -0.18 0.00 -1.51 0.00 0.00 37.83 32.43 1z5l s LYS 19 CO 0.00 -0.32 1.34 -2.30 -0.36 0.00 0.00 175.35 173.71 1z5l n PRO 20 N 5.07 0.73 -3.12 4.03 -0.02 -1.26 -4.30 135.00 136.13 1z5l n PRO 20 Ca -0.13 0.26 -0.11 0.00 -2.02 0.00 0.00 63.50 61.50 1z5l n PRO 20 Cb 0.51 -1.86 -0.04 0.00 -0.02 0.00 0.00 33.50 32.09 1z5l n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1z5l n ASN 21 N 2.75 0.48 -4.09 2.55 2.85 0.42 -4.97 115.26 115.25 1z5l n ASN 21 Ca 0.21 -2.05 -0.29 0.00 -0.11 0.00 0.00 54.58 52.34 1z5l n ASN 21 Cb 0.13 0.63 -0.17 0.00 1.24 0.00 0.00 39.78 41.61 1z5l n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1z5l s ILE 22 N -2.44 1.57 -0.14 -1.44 1.01 -1.26 -1.42 121.20 117.08 1z5l s ILE 22 Ca 0.14 -0.70 -0.11 0.00 0.00 0.00 0.00 60.65 59.98 1z5l s ILE 22 Cb 0.01 -1.41 -0.05 0.00 0.01 0.00 0.00 42.46 41.02 1z5l s ILE 22 CO 0.10 0.45 0.22 -0.22 0.00 0.00 0.00 174.94 175.49 1z5l s LEU 23 N 0.79 4.30 0.06 2.97 2.96 0.95 -1.22 118.68 129.50 1z5l s LEU 23 Ca -0.11 0.47 0.06 0.00 -0.22 0.00 0.00 54.13 54.33 1z5l s LEU 23 Cb -0.16 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.27 1z5l s LEU 23 CO 0.01 0.24 -0.09 0.20 -1.32 0.00 0.00 176.35 175.39 1z5l s ASN 24 N -0.19 4.45 -0.13 3.68 0.01 0.36 -0.18 114.94 122.95 1z5l s ASN 24 Ca 0.15 -0.30 -0.03 0.00 -0.71 0.00 0.00 52.86 51.97 1z5l s ASN 24 Cb -0.13 -0.92 0.05 0.00 0.41 0.00 0.00 41.25 40.67 1z5l s ASN 24 CO 0.03 0.22 0.06 0.00 -1.51 0.00 0.00 177.10 175.90 1z5l s TYR 26 N 2.07 3.03 -0.18 0.00 5.04 -0.19 -0.57 117.35 126.56 1z5l s TYR 26 Ca 0.03 -0.97 -0.02 0.00 -2.44 0.00 0.00 57.07 53.67 1z5l s TYR 26 Cb -0.15 -2.15 -0.01 0.00 0.35 0.00 0.00 41.96 40.01 1z5l s TYR 26 CO -0.07 -0.56 -0.10 0.08 -1.34 0.00 0.00 175.55 173.57 1z5l s VAL 27 N 1.48 3.04 0.35 3.14 1.01 -0.51 -1.56 120.40 127.36 1z5l s VAL 27 Ca 0.04 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.43 1z5l s VAL 27 Cb -0.15 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1z5l s VAL 27 CO -0.01 0.48 0.13 0.42 0.00 0.00 0.00 175.10 176.12 1z5l s THR 28 N 1.03 0.59 -1.24 3.92 -4.23 -0.68 -1.12 115.64 113.92 1z5l s THR 28 Ca -0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1z5l s THR 28 Cb -0.15 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.20 1z5l s THR 28 CO -0.02 0.00 0.00 1.67 -0.54 0.00 0.00 174.62 175.73 1z5l n GLN 29 N -0.74 -0.90 -4.06 3.99 -0.06 -0.73 -1.65 117.38 113.23 1z5l n GLN 29 Ca -0.02 0.84 -0.22 0.00 -2.00 0.00 0.00 57.00 55.59 1z5l n GLN 29 Cb 0.65 -4.91 -0.05 0.00 -4.06 0.00 0.00 30.24 21.87 1z5l n GLN 29 CO 0.00 0.00 0.00 -0.59 -0.20 0.00 0.00 177.06 176.27 1z5l s PHE 30 N -2.51 2.92 -0.29 3.69 -0.71 -1.12 -3.74 117.98 116.22 1z5l s PHE 30 Ca 0.00 -0.22 -0.21 0.00 -1.04 0.00 0.00 56.93 55.46 1z5l s PHE 30 Cb 0.00 -1.51 0.13 0.00 -1.21 0.00 0.00 43.02 40.44 1z5l s PHE 30 CO 0.00 0.42 1.01 -1.58 -1.34 0.00 0.00 175.22 173.73 1z5l s HIS 31 N -2.26 -0.52 1.01 3.49 2.46 -1.06 -1.21 115.29 117.20 1z5l s HIS 31 Ca 0.35 1.14 -0.14 0.00 0.47 0.00 0.00 55.06 56.88 1z5l s HIS 31 Cb -0.06 0.37 0.19 0.00 -0.13 0.00 0.00 32.58 32.95 1z5l s HIS 31 CO 0.24 -0.25 1.14 -2.14 -2.47 0.00 0.00 174.74 171.26 1z5l s PRO 32 N 0.73 0.36 0.00 2.88 0.02 -1.26 -2.86 135.00 134.86 1z5l s PRO 32 Ca -0.02 0.16 0.01 0.00 0.02 0.00 0.00 61.00 61.17 1z5l s PRO 32 Cb -0.04 -1.76 0.07 0.00 0.02 0.00 0.00 34.50 32.79 1z5l s PRO 32 CO -0.11 -2.70 0.65 -0.35 -0.33 0.00 0.00 177.00 174.16 1z5l n PRO 33 N -4.09 0.03 -3.02 5.54 -0.04 -1.26 -4.70 135.00 127.46 1z5l n PRO 33 Ca 0.09 0.09 -0.42 0.00 -0.04 0.00 0.00 63.50 63.22 1z5l n PRO 33 Cb 0.59 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.49 1z5l n PRO 33 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1z5l s HIS 34 N -2.18 3.19 0.05 0.54 3.76 -1.26 -4.99 115.29 114.39 1z5l s HIS 34 Ca 0.02 0.67 -0.10 0.00 -0.15 0.00 0.00 55.06 55.50 1z5l s HIS 34 Cb 0.01 -3.15 0.01 0.00 1.11 0.00 0.00 32.58 30.55 1z5l s HIS 34 CO 0.02 -0.56 0.21 -1.50 -0.85 0.00 0.00 174.74 172.06 1z5l s ILE 35 N 2.83 0.11 -0.12 0.60 2.07 -1.26 -4.58 121.20 120.84 1z5l s ILE 35 Ca 0.29 -0.89 0.01 0.00 -1.41 0.00 0.00 60.65 58.65 1z5l s ILE 35 Cb -0.14 -0.97 0.02 0.00 0.13 0.00 0.00 42.46 41.50 1z5l s ILE 35 CO 0.13 -0.49 -0.13 -0.70 -1.91 0.00 0.00 174.94 171.84 1z5l s GLU 36 N -2.73 2.05 -0.07 3.50 2.56 -0.59 -5.02 118.70 118.40 1z5l s GLU 36 Ca -0.04 -0.48 0.05 0.00 0.00 0.00 0.00 54.97 54.50 1z5l s GLU 36 Cb -0.00 -1.87 -0.00 0.00 2.00 0.00 0.00 34.13 34.25 1z5l s GLU 36 CO -0.05 -0.18 -0.22 0.42 -0.56 0.00 0.00 175.26 174.67 1z5l s ILE 37 N 1.34 1.87 0.00 -3.70 1.01 -1.26 -0.94 121.20 119.53 1z5l s ILE 37 Ca 0.00 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.74 1z5l s ILE 37 Cb -0.14 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.72 1z5l s ILE 37 CO -0.07 0.52 -0.06 0.00 0.00 0.00 0.00 174.94 175.34 1z5l s GLN 38 N 0.17 0.45 -0.12 2.79 -2.07 -0.42 -5.01 119.66 115.45 1z5l s GLN 38 Ca -0.11 -0.27 -0.04 0.00 -1.82 0.00 0.00 55.36 53.11 1z5l s GLN 38 Cb -0.15 -0.40 -0.04 0.00 -1.09 0.00 0.00 33.01 31.33 1z5l s GLN 38 CO 0.06 0.11 0.05 -1.64 -1.32 0.00 0.00 175.29 172.54 1z5l s MET 39 N -0.34 3.33 0.14 9.60 -1.94 -1.26 0.21 119.30 129.04 1z5l s MET 39 Ca 0.00 -0.32 0.10 0.00 -1.71 0.00 0.00 55.69 53.76 1z5l s MET 39 Cb -0.03 -2.99 -0.04 0.00 2.01 0.00 0.00 34.83 33.78 1z5l s MET 39 CO -0.00 0.62 -0.21 -0.51 -0.01 0.00 0.00 175.02 174.91 1z5l s LEU 40 N -0.62 2.56 -0.13 -0.03 1.43 0.05 -1.14 118.68 120.80 1z5l s LEU 40 Ca 0.11 -0.66 -0.02 0.00 -1.03 0.00 0.00 54.13 52.53 1z5l s LEU 40 Cb -0.12 -1.40 0.04 0.00 0.03 0.00 0.00 46.19 44.75 1z5l s LEU 40 CO 0.02 0.17 0.01 -0.75 0.23 0.00 0.00 176.35 176.02 1z5l s LYS 41 N -2.24 0.76 -1.38 1.70 2.20 0.34 -1.57 119.74 119.54 1z5l s LYS 41 Ca 0.18 -0.18 -0.06 0.00 -0.36 0.00 0.00 55.97 55.54 1z5l s LYS 41 Cb -0.10 -1.57 0.03 0.00 -1.51 0.00 0.00 37.83 34.69 1z5l s LYS 41 CO 0.09 -0.45 0.89 0.09 -0.36 0.00 0.00 175.35 175.61 1z5l n ASN 42 N 5.07 -3.14 0.00 1.43 3.02 0.14 -1.63 115.26 120.15 1z5l n ASN 42 Ca -0.09 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.71 1z5l n ASN 42 Cb 0.49 -4.21 0.00 0.00 -0.61 0.00 0.00 39.78 35.45 1z5l n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1z5l n GLY 43 N -1.63 0.33 3.17 7.41 0.00 -1.26 -5.00 105.19 108.21 1z5l n GLY 43 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1z5l n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1z5l s LYS 44 N -0.83 2.86 -0.00 1.61 -0.14 -0.64 -5.06 119.74 117.54 1z5l s LYS 44 Ca 0.00 -0.81 -0.38 0.00 -1.36 0.00 0.00 55.97 53.42 1z5l s LYS 44 Cb 0.00 -2.25 -0.18 0.00 -1.68 0.00 0.00 37.83 33.72 1z5l s LYS 44 CO 0.00 0.07 1.32 1.17 -0.76 0.00 0.00 175.35 177.15 1z5l n LYS 45 N 3.83 0.78 -3.13 1.68 4.81 -1.26 -0.51 118.16 124.36 1z5l n LYS 45 Ca -0.20 0.28 -0.39 0.00 -0.87 0.00 0.00 58.31 57.13 1z5l n LYS 45 Cb 0.52 -1.88 -0.05 0.00 0.02 0.00 0.00 35.03 33.64 1z5l n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1z5l s ILE 46 N 0.78 4.81 0.03 3.15 1.01 -0.29 -4.84 121.20 125.86 1z5l s ILE 46 Ca 0.89 1.39 0.04 0.00 0.00 0.00 0.00 60.65 62.97 1z5l s ILE 46 Cb -1.08 -4.00 -0.24 0.00 0.01 0.00 0.00 42.46 37.15 1z5l s ILE 46 CO 0.53 0.42 0.96 1.55 0.00 0.00 0.00 174.94 178.39 1z5l h PRO 47 N 5.50 0.10 -2.08 2.79 0.14 -1.94 -3.39 132.00 133.13 1z5l h PRO 47 Ca -0.45 -0.18 -0.66 0.00 0.14 0.00 0.00 66.00 64.85 1z5l h PRO 47 Cb 1.20 0.07 -0.22 0.00 0.14 0.00 0.00 31.00 32.19 1z5l h PRO 47 CO 0.69 0.93 0.90 1.17 0.14 0.00 0.00 178.00 181.83 1z5l n LYS 48 N -3.32 3.01 -3.10 0.86 3.00 -1.26 -4.94 118.16 112.42 1z5l n LYS 48 Ca -0.11 -3.12 -0.43 0.00 -0.00 0.00 0.00 58.31 54.65 1z5l n LYS 48 Cb 1.01 -2.27 -0.06 0.00 0.00 0.00 0.00 35.03 33.71 1z5l n LYS 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1z5l s VAL 49 N -3.47 4.81 0.41 3.15 1.01 -1.26 -4.67 120.40 120.38 1z5l s VAL 49 Ca 0.54 0.02 -0.20 0.00 0.00 0.00 0.00 61.98 62.34 1z5l s VAL 49 Cb 0.37 -4.24 -0.11 0.00 0.00 0.00 0.00 36.38 32.40 1z5l s VAL 49 CO -0.28 -0.67 0.91 -1.61 0.00 0.00 0.00 175.10 173.46 1z5l s GLU 50 N 2.86 4.21 0.05 2.72 8.01 -0.88 -4.90 118.70 130.77 1z5l s GLU 50 Ca 0.22 1.05 0.06 0.00 0.01 0.00 0.00 54.97 56.31 1z5l s GLU 50 Cb -0.15 -2.25 -0.02 0.00 -4.31 0.00 0.00 34.13 27.39 1z5l s GLU 50 CO 0.18 0.02 -0.16 -1.64 0.01 0.00 0.00 175.26 173.66 1z5l s MET 51 N -3.09 1.05 0.84 1.61 -1.94 -1.26 -1.57 119.30 114.94 1z5l s MET 51 Ca 0.60 -0.87 -0.12 0.00 -1.71 0.00 0.00 55.69 53.59 1z5l s MET 51 Cb -0.10 -1.11 0.10 0.00 2.01 0.00 0.00 34.83 35.73 1z5l s MET 51 CO 0.14 0.27 1.13 -1.54 -0.01 0.00 0.00 175.02 175.01 1z5l s SER 52 N -1.30 4.14 0.58 3.03 1.04 0.68 -5.00 113.70 116.87 1z5l s SER 52 Ca 0.03 1.05 -0.19 0.00 0.48 0.00 0.00 55.95 57.32 1z5l s SER 52 Cb -0.09 -1.68 -0.04 0.00 0.10 0.00 0.00 66.02 64.31 1z5l s SER 52 CO 0.02 -2.16 1.20 -1.81 0.98 0.00 0.00 173.24 171.47 1z5l s ASP 53 N -4.11 5.26 0.15 7.02 1.01 -1.26 -4.77 116.67 119.97 1z5l s ASP 53 Ca 0.62 2.38 -0.31 0.00 0.71 0.00 0.00 52.55 55.95 1z5l s ASP 53 Cb -0.14 -2.60 -0.09 0.00 1.01 0.00 0.00 42.92 41.10 1z5l s ASP 53 CO 0.53 -1.55 1.49 -0.32 0.21 0.00 0.00 175.17 175.53 1z5l s MET 54 N -3.30 4.26 0.40 8.23 -2.45 -1.26 -4.80 119.30 120.38 1z5l s MET 54 Ca 0.77 2.24 0.04 0.00 -1.25 0.00 0.00 55.69 57.48 1z5l s MET 54 Cb -0.30 -3.19 -0.03 0.00 1.25 0.00 0.00 34.83 32.56 1z5l s MET 54 CO 0.33 -0.53 0.13 0.45 1.05 0.00 0.00 175.02 176.45 1z5l s SER 55 N 1.09 2.70 0.17 1.11 0.15 -1.13 -5.05 113.70 112.75 1z5l s SER 55 Ca 0.67 -1.65 0.01 0.00 0.70 0.00 0.00 55.95 55.68 1z5l s SER 55 Cb -0.41 0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 64.32 1z5l s SER 55 CO 0.31 -0.91 0.04 0.72 1.20 0.00 0.00 173.24 174.60 1z5l s PHE 56 N -3.23 1.14 0.55 3.44 -0.12 -1.26 -2.46 117.98 116.04 1z5l s PHE 56 Ca 0.25 -1.13 0.07 0.00 -0.05 0.00 0.00 56.93 56.08 1z5l s PHE 56 Cb 0.03 -0.65 0.05 0.00 -0.63 0.00 0.00 43.02 41.83 1z5l s PHE 56 CO 0.15 -0.35 0.57 -1.12 -0.05 0.00 0.00 175.22 174.42 1z5l s SER 57 N -3.15 4.88 0.22 1.98 0.01 -0.52 -4.96 113.70 112.17 1z5l s SER 57 Ca 0.27 -1.02 -0.11 0.00 1.31 0.00 0.00 55.95 56.40 1z5l s SER 57 Cb 0.07 0.27 0.31 0.00 0.21 0.00 0.00 66.02 66.88 1z5l s SER 57 CO 0.05 -1.17 1.65 0.50 0.41 0.00 0.00 173.24 174.69 1z5l h LYS 58 N 0.52 0.09 0.00 12.44 1.63 -2.03 -1.19 116.57 128.04 1z5l h LYS 58 Ca -0.34 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.45 1z5l h LYS 58 Cb 1.29 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.90 1z5l h LYS 58 CO 0.50 0.06 0.00 -0.40 -3.45 0.00 0.00 179.45 176.16 1z5l n ASP 59 N -5.31 0.00 0.00 4.20 5.75 -1.26 -4.87 116.55 115.06 1z5l n ASP 59 Ca 0.09 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.20 1z5l n ASP 59 Cb 0.37 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 1z5l n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1z5l n TRP 60 N -0.57 0.00 -2.98 2.11 7.02 -0.45 -5.03 117.44 117.54 1z5l n TRP 60 Ca 0.03 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.15 1z5l n TRP 60 Cb 0.01 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 28.84 1z5l n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1z5l s SER 61 N -3.16 7.12 0.46 -0.99 1.04 -1.26 -4.69 113.70 112.21 1z5l s SER 61 Ca 0.00 1.56 -0.11 0.00 0.48 0.00 0.00 55.95 57.88 1z5l s SER 61 Cb 0.00 -2.48 -0.06 0.00 0.10 0.00 0.00 66.02 63.58 1z5l s SER 61 CO 0.00 -0.05 0.84 -0.36 0.98 0.00 0.00 173.24 174.65 1z5l s PHE 62 N -1.64 3.50 0.01 5.02 0.40 -0.35 -1.43 117.98 123.49 1z5l s PHE 62 Ca 0.48 1.11 -0.11 0.00 -0.60 0.00 0.00 56.93 57.81 1z5l s PHE 62 Cb -0.16 -2.51 0.01 0.00 0.51 0.00 0.00 43.02 40.86 1z5l s PHE 62 CO 0.21 -0.24 0.22 1.52 0.70 0.00 0.00 175.22 177.63 1z5l s TYR 63 N -2.55 -0.03 0.10 0.36 -0.85 -1.03 -1.77 117.35 111.58 1z5l s TYR 63 Ca 0.52 -0.06 -0.10 0.00 -0.52 0.00 0.00 57.07 56.91 1z5l s TYR 63 Cb -0.10 0.01 0.01 0.00 0.38 0.00 0.00 41.96 42.25 1z5l s TYR 63 CO 0.36 -0.38 0.24 -1.50 -1.52 0.00 0.00 175.55 172.74 1z5l s ILE 64 N -1.86 0.13 -0.13 -3.49 2.07 -0.27 -2.82 121.20 114.82 1z5l s ILE 64 Ca -0.10 -1.05 0.02 0.00 -1.41 0.00 0.00 60.65 58.11 1z5l s ILE 64 Cb -0.04 -1.31 0.01 0.00 0.13 0.00 0.00 42.46 41.25 1z5l s ILE 64 CO 0.00 -0.57 -0.19 -0.22 -1.91 0.00 0.00 174.94 172.05 1z5l s LEU 65 N -2.85 1.93 -0.06 8.50 2.96 -1.26 -1.42 118.68 126.47 1z5l s LEU 65 Ca 0.05 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.44 1z5l s LEU 65 Cb 0.04 -1.28 -0.03 0.00 0.50 0.00 0.00 46.19 45.42 1z5l s LEU 65 CO -0.11 0.05 -0.07 0.00 -1.32 0.00 0.00 176.35 174.89 1z5l s ALA 66 N 0.91 2.96 -0.02 5.97 0.00 0.26 -0.23 121.76 131.62 1z5l s ALA 66 Ca -0.06 -0.90 -0.21 0.00 0.00 0.00 0.00 51.96 50.78 1z5l s ALA 66 Cb -0.15 -1.21 0.04 0.00 0.00 0.00 0.00 23.12 21.80 1z5l s ALA 66 CO -0.02 0.57 0.46 -3.38 0.00 0.00 0.00 175.76 173.40 1z5l s HIS 67 N -0.81 -0.37 -0.03 0.00 -3.43 -0.61 0.25 115.29 110.29 1z5l s HIS 67 Ca 0.12 0.58 -0.15 0.00 -0.80 0.00 0.00 55.06 54.82 1z5l s HIS 67 Cb -0.11 0.23 0.03 0.00 -1.43 0.00 0.00 32.58 31.30 1z5l s HIS 67 CO 0.02 -0.50 0.33 -0.08 -2.00 0.00 0.00 174.74 172.50 1z5l s THR 68 N -1.44 0.05 0.27 -5.38 -1.32 0.75 -2.06 115.64 106.50 1z5l s THR 68 Ca -0.11 -0.40 -0.30 0.00 -1.21 0.00 0.00 61.69 59.67 1z5l s THR 68 Cb -0.03 -0.61 -0.10 0.00 -1.51 0.00 0.00 72.50 70.25 1z5l s THR 68 CO 0.05 -0.22 1.39 -1.61 -2.21 0.00 0.00 174.62 172.03 1z5l s GLU 69 N -1.13 4.30 0.12 7.08 2.02 -1.26 -0.03 118.70 129.80 1z5l s GLU 69 Ca -0.12 2.26 -0.20 0.00 0.02 0.00 0.00 54.97 56.94 1z5l s GLU 69 Cb -0.05 -3.10 0.05 0.00 0.10 0.00 0.00 34.13 31.13 1z5l s GLU 69 CO 0.04 -0.35 0.49 -0.59 0.02 0.00 0.00 175.26 174.87 1z5l s PHE 70 N -0.33 -0.36 -0.21 1.61 -0.71 -0.51 -4.84 117.98 112.65 1z5l s PHE 70 Ca 0.56 0.14 0.00 0.00 -1.04 0.00 0.00 56.93 56.60 1z5l s PHE 70 Cb -0.41 0.38 0.05 0.00 -1.21 0.00 0.00 43.02 41.83 1z5l s PHE 70 CO 0.46 -0.74 -0.06 -0.08 -1.34 0.00 0.00 175.22 173.45 1z5l s THR 71 N -3.54 1.41 0.32 -4.49 -1.32 -1.26 0.16 115.64 106.92 1z5l s THR 71 Ca 0.01 -0.98 -0.29 0.00 -1.21 0.00 0.00 61.69 59.22 1z5l s THR 71 Cb 0.00 -1.61 -0.12 0.00 -1.51 0.00 0.00 72.50 69.26 1z5l s THR 71 CO -0.10 0.03 1.33 -2.65 -2.21 0.00 0.00 174.62 171.02 1z5l n PRO 72 N 4.74 2.15 -4.06 7.08 -0.02 -1.26 -4.79 135.00 138.84 1z5l n PRO 72 Ca -0.13 0.76 -0.09 0.00 -2.02 0.00 0.00 63.50 62.02 1z5l n PRO 72 Cb 0.46 -2.37 -0.09 0.00 -0.02 0.00 0.00 33.50 31.48 1z5l n PRO 72 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1z5l s THR 73 N -0.82 0.12 -2.26 3.45 2.01 -1.26 -0.81 115.64 116.07 1z5l s THR 73 Ca 0.58 -1.68 0.20 0.00 0.31 0.00 0.00 61.69 61.10 1z5l s THR 73 Cb -0.58 -1.80 0.44 0.00 0.01 0.00 0.00 72.50 70.57 1z5l s THR 73 CO 0.59 -0.56 1.45 -1.84 -0.69 0.00 0.00 174.62 173.57 1z5l n GLU 74 N -0.07 2.09 0.00 4.92 0.00 -1.26 -3.89 120.64 122.43 1z5l n GLU 74 Ca -0.09 -1.66 0.00 0.00 0.00 0.00 0.00 57.16 55.41 1z5l n GLU 74 Cb 0.63 -1.43 0.00 0.00 0.00 0.00 0.00 31.44 30.64 1z5l n GLU 74 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1z5l n THR 75 N 0.87 0.00 -4.35 3.84 -2.24 -1.26 -5.05 114.28 106.09 1z5l n THR 75 Ca 0.17 -0.39 -0.34 0.00 -2.27 0.00 0.00 64.05 61.22 1z5l n THR 75 Cb 0.44 0.93 -0.11 0.00 -2.10 0.00 0.00 70.33 69.49 1z5l n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1z5l s ASP 76 N -1.01 5.03 -0.16 3.42 1.01 -1.25 -5.04 116.67 118.68 1z5l s ASP 76 Ca 0.00 -0.02 -0.07 0.00 0.71 0.00 0.00 52.55 53.18 1z5l s ASP 76 Cb 0.00 -1.69 -0.04 0.00 1.01 0.00 0.00 42.92 42.20 1z5l s ASP 76 CO 0.00 0.24 0.07 0.42 0.21 0.00 0.00 175.17 176.11 1z5l s THR 77 N -0.04 4.92 0.05 -1.27 -4.23 -1.26 -4.68 115.64 109.13 1z5l s THR 77 Ca 0.03 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.58 1z5l s THR 77 Cb -0.13 -3.18 -0.04 0.00 1.34 0.00 0.00 72.50 70.49 1z5l s THR 77 CO 0.02 0.52 -0.02 -0.31 -0.54 0.00 0.00 174.62 174.28 1z5l s TYR 78 N -0.12 2.96 0.18 3.99 1.51 -1.26 -0.69 117.35 123.92 1z5l s TYR 78 Ca 0.08 -0.02 -0.07 0.00 -1.01 0.00 0.00 57.07 56.04 1z5l s TYR 78 Cb -0.12 -1.57 -0.02 0.00 -0.11 0.00 0.00 41.96 40.14 1z5l s TYR 78 CO 0.01 0.45 0.27 0.00 -1.11 0.00 0.00 175.55 175.16 1z5l s ALA 79 N -1.19 0.23 -0.10 3.71 0.00 -0.61 -0.95 121.76 122.85 1z5l s ALA 79 Ca 0.22 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 51.14 1z5l s ALA 79 Cb -0.11 0.97 0.00 0.00 0.00 0.00 0.00 23.12 23.98 1z5l s ALA 79 CO 0.14 -0.65 -0.21 0.00 0.00 0.00 0.00 175.76 175.03 1z5l s ARG 81 N 0.53 3.05 -0.12 0.00 3.52 0.13 -0.30 118.95 125.75 1z5l s ARG 81 Ca -0.15 -0.84 0.03 0.00 -0.13 0.00 0.00 55.73 54.64 1z5l s ARG 81 Cb -0.17 -2.47 0.01 0.00 -1.56 0.00 0.00 34.95 30.76 1z5l s ARG 81 CO 0.05 -0.02 -0.20 0.08 -0.81 0.00 0.00 175.30 174.40 1z5l s VAL 82 N 0.84 1.88 -0.21 7.11 1.01 -0.18 -1.30 120.40 129.55 1z5l s VAL 82 Ca -0.06 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 1z5l s VAL 82 Cb -0.15 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1z5l s VAL 82 CO -0.02 0.52 0.02 -0.75 0.00 0.00 0.00 175.10 174.87 1z5l s LYS 83 N 0.78 3.64 -0.02 2.72 2.20 -0.11 -0.27 119.74 128.67 1z5l s LYS 83 Ca -0.09 -0.50 -0.08 0.00 -0.36 0.00 0.00 55.97 54.94 1z5l s LYS 83 Cb -0.16 -3.15 0.01 0.00 -1.51 0.00 0.00 37.83 33.02 1z5l s LYS 83 CO 0.00 -0.04 0.17 -1.58 -0.36 0.00 0.00 175.35 173.55 1z5l s HIS 84 N 1.15 -0.05 0.50 4.03 2.46 -1.26 -1.55 115.29 120.57 1z5l s HIS 84 Ca 0.03 0.09 0.33 0.00 0.47 0.00 0.00 55.06 55.98 1z5l s HIS 84 Cb -0.14 0.00 1.80 0.00 -0.13 0.00 0.00 32.58 34.11 1z5l s HIS 84 CO 0.02 -0.25 2.20 0.00 -2.47 0.00 0.00 174.74 174.23 1z5l h ALA 85 N 4.62 1.26 0.00 1.58 0.00 -1.95 -1.27 119.26 123.50 1z5l h ALA 85 Ca -0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1z5l h ALA 85 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1z5l h ALA 85 CO 0.40 0.06 0.00 -1.13 0.00 0.00 0.00 179.25 178.57 1z5l n SER 86 N -3.51 0.00 -4.59 0.00 3.41 -1.26 -4.81 113.62 102.86 1z5l n SER 86 Ca -0.02 -0.07 -0.31 0.00 -0.26 0.00 0.00 58.87 58.21 1z5l n SER 86 Cb 0.16 -0.29 -0.10 0.00 -0.26 0.00 0.00 64.21 63.71 1z5l n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1z5l s MET 87 N -2.58 2.41 0.03 4.33 -1.94 -0.48 -4.97 119.30 116.09 1z5l s MET 87 Ca 0.24 -0.83 -0.25 0.00 -1.71 0.00 0.00 55.69 53.14 1z5l s MET 87 Cb 0.17 -2.43 -0.17 0.00 2.01 0.00 0.00 34.83 34.41 1z5l s MET 87 CO 0.39 0.57 1.43 0.00 -0.01 0.00 0.00 175.02 177.40 1z5l h ALA 88 N 4.21 -0.24 -2.06 3.03 0.00 -1.87 -3.45 119.26 118.88 1z5l h ALA 88 Ca -0.48 -0.15 -0.47 0.00 0.00 0.00 0.00 54.91 53.81 1z5l h ALA 88 Cb 1.17 0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.91 1z5l h ALA 88 CO 0.53 -0.51 -0.64 -1.83 0.00 0.00 0.00 179.25 176.81 1z5l s GLU 89 N -5.13 1.58 0.69 0.00 -1.05 -1.26 -5.11 118.70 108.42 1z5l s GLU 89 Ca -0.15 -1.85 -0.17 0.00 -0.15 0.00 0.00 54.97 52.66 1z5l s GLU 89 Cb 0.03 -0.95 -0.00 0.00 -0.44 0.00 0.00 34.13 32.77 1z5l s GLU 89 CO 0.62 -0.10 1.05 -2.30 0.95 0.00 0.00 175.26 175.48 1z5l n PRO 90 N -0.62 0.68 -4.18 -4.83 -0.02 -1.26 -4.89 135.00 119.87 1z5l n PRO 90 Ca -0.04 0.29 -0.34 0.00 -2.02 0.00 0.00 63.50 61.39 1z5l n PRO 90 Cb 0.65 -2.29 -0.15 0.00 -0.02 0.00 0.00 33.50 31.69 1z5l n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1z5l s LYS 91 N -3.30 3.30 -0.12 -0.52 2.20 0.62 -4.91 119.74 117.01 1z5l s LYS 91 Ca 0.76 -0.68 -0.04 0.00 -0.36 0.00 0.00 55.97 55.65 1z5l s LYS 91 Cb -0.36 -2.82 -0.04 0.00 -1.51 0.00 0.00 37.83 33.11 1z5l s LYS 91 CO 0.47 -0.09 0.03 0.99 -0.36 0.00 0.00 175.35 176.39 1z5l s THR 92 N 1.14 4.54 -0.07 3.43 2.01 -1.26 -1.01 115.64 124.42 1z5l s THR 92 Ca 0.01 -0.15 0.03 0.00 0.31 0.00 0.00 61.69 61.89 1z5l s THR 92 Cb -0.14 -2.95 0.01 0.00 0.01 0.00 0.00 72.50 69.42 1z5l s THR 92 CO -0.03 0.57 -0.16 0.68 -0.69 0.00 0.00 174.62 174.99 1z5l s VAL 93 N -0.54 1.43 0.22 3.82 -7.23 0.59 -4.94 120.40 113.75 1z5l s VAL 93 Ca 0.10 -0.66 -0.24 0.00 -1.81 0.00 0.00 61.98 59.37 1z5l s VAL 93 Cb -0.12 -1.27 -0.09 0.00 0.56 0.00 0.00 36.38 35.46 1z5l s VAL 93 CO 0.02 0.42 0.80 -0.31 -0.31 0.00 0.00 175.10 175.73 1z5l s TYR 94 N 0.51 3.78 0.05 2.82 1.51 -1.26 0.02 117.35 124.78 1z5l s TYR 94 Ca -0.15 1.60 -0.31 0.00 -1.01 0.00 0.00 57.07 57.21 1z5l s TYR 94 Cb -0.16 -2.76 -0.06 0.00 -0.11 0.00 0.00 41.96 38.86 1z5l s TYR 94 CO 0.05 0.39 1.38 -0.46 -1.11 0.00 0.00 175.55 175.80 1z5l s TRP 95 N -1.37 3.06 -0.49 2.71 -0.00 -0.13 -4.94 118.94 117.78 1z5l s TRP 95 Ca 0.41 0.92 -0.18 0.00 -0.00 0.00 0.00 56.10 57.25 1z5l s TRP 95 Cb -0.20 -3.64 0.06 0.00 -0.00 0.00 0.00 33.47 29.68 1z5l s TRP 95 CO 0.24 -2.30 0.54 0.34 -0.00 0.00 0.00 176.95 175.77 1z5l s ASP 96 N 1.51 6.20 0.00 5.86 -1.08 -1.26 -4.75 116.67 123.15 1z5l s ASP 96 Ca 0.64 -1.03 0.00 0.00 -0.52 0.00 0.00 52.55 51.64 1z5l s ASP 96 Cb -0.33 -2.25 0.00 0.00 -1.46 0.00 0.00 42.92 38.88 1z5l s ASP 96 CO 0.28 -0.79 0.00 0.54 0.52 0.00 0.00 175.17 175.72 1z5l n ARG 97 N 5.81 0.00 -0.07 4.34 1.74 -1.26 -1.19 116.66 126.03 1z5l n ARG 97 Ca -0.08 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.86 1z5l n ARG 97 Cb 0.45 -0.13 -0.05 0.00 -1.02 0.00 0.00 32.46 31.71 1z5l n ARG 97 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1z5l n ASP 98 N 0.00 1.36 0.00 0.55 8.00 -1.26 -4.89 116.55 120.31 1z5l n ASP 98 Ca 0.00 0.23 0.03 0.00 0.71 0.00 0.00 54.79 55.75 1z5l n ASP 98 Cb 0.00 -0.54 0.17 0.00 -0.02 0.00 0.00 41.12 40.73 1z5l n ASP 98 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61