#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 3.24 -0.08 3.69 1.02 -0.87 -4.96 119.74 121.78 1z5l s LYS 3 Ca 0.00 -0.52 -0.30 0.00 0.02 0.00 0.00 55.97 55.17 1z5l s LYS 3 Cb 0.00 -2.77 -0.03 0.00 -0.52 0.00 0.00 37.83 34.51 1z5l s LYS 3 CO 0.00 0.46 1.18 -0.08 -0.92 0.00 0.00 175.35 175.99 1z5l s THR 4 N -0.23 4.32 0.38 2.17 -1.32 -1.26 -2.50 115.64 117.21 1z5l s THR 4 Ca 0.04 1.63 -0.27 0.00 -1.21 0.00 0.00 61.69 61.88 1z5l s THR 4 Cb -0.13 -4.05 -0.10 0.00 -1.51 0.00 0.00 72.50 66.72 1z5l s THR 4 CO 0.02 -0.02 1.36 -2.16 -2.21 0.00 0.00 174.62 171.62 1z5l s PRO 5 N 2.35 4.07 -0.05 7.08 0.04 -1.26 -4.57 135.00 142.66 1z5l s PRO 5 Ca 0.55 2.30 -0.04 0.00 0.04 0.00 0.00 61.00 63.85 1z5l s PRO 5 Cb -0.23 -2.88 -0.04 0.00 0.04 0.00 0.00 34.50 31.39 1z5l s PRO 5 CO 0.20 -0.46 0.15 -1.14 0.04 0.00 0.00 177.00 175.79 1z5l s GLN 6 N -2.11 3.38 -0.06 4.56 0.74 -0.62 -4.96 119.66 120.59 1z5l s GLN 6 Ca 0.54 -0.28 0.03 0.00 0.05 0.00 0.00 55.36 55.70 1z5l s GLN 6 Cb -0.41 -3.09 0.00 0.00 1.10 0.00 0.00 33.01 30.62 1z5l s GLN 6 CO 0.54 0.71 -0.16 0.42 -0.55 0.00 0.00 175.29 176.24 1z5l s ILE 7 N -1.20 1.43 -0.09 -2.34 1.01 -1.26 -1.83 121.20 116.92 1z5l s ILE 7 Ca 0.23 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 60.22 1z5l s ILE 7 Cb -0.12 -1.26 0.02 0.00 0.01 0.00 0.00 42.46 41.11 1z5l s ILE 7 CO 0.13 0.42 -0.13 -1.10 0.00 0.00 0.00 174.94 174.26 1z5l s GLN 8 N 0.39 1.89 -0.14 2.79 -0.21 -0.20 -4.96 119.66 119.22 1z5l s GLN 8 Ca -0.12 -0.45 -0.02 0.00 0.02 0.00 0.00 55.36 54.79 1z5l s GLN 8 Cb -0.15 -1.63 -0.03 0.00 1.00 0.00 0.00 33.01 32.20 1z5l s GLN 8 CO 0.04 -0.06 -0.06 0.08 -2.12 0.00 0.00 175.29 173.18 1z5l s VAL 9 N 0.96 3.73 0.19 1.09 1.01 -1.26 -0.35 120.40 125.77 1z5l s VAL 9 Ca -0.08 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.25 1z5l s VAL 9 Cb -0.15 -2.61 0.06 0.00 0.00 0.00 0.00 36.38 33.68 1z5l s VAL 9 CO -0.00 0.52 0.65 -0.72 0.00 0.00 0.00 175.10 175.54 1z5l s TYR 10 N 0.15 -0.43 0.07 5.22 1.13 -0.86 -4.83 117.35 117.80 1z5l s TYR 10 Ca -0.02 0.15 0.00 0.00 -1.41 0.00 0.00 57.07 55.79 1z5l s TYR 10 Cb -0.14 0.60 -0.04 0.00 -1.10 0.00 0.00 41.96 41.28 1z5l s TYR 10 CO 0.03 -0.94 0.22 0.45 -2.51 0.00 0.00 175.55 172.80 1z5l s SER 11 N -2.79 6.36 0.00 -0.18 0.15 0.88 -1.07 113.70 117.06 1z5l s SER 11 Ca 0.04 0.27 -0.20 0.00 0.70 0.00 0.00 55.95 56.76 1z5l s SER 11 Cb -0.02 -1.96 -0.23 0.00 -1.71 0.00 0.00 66.02 62.10 1z5l s SER 11 CO -0.07 0.15 1.10 -0.09 1.20 0.00 0.00 173.24 175.54 1z5l h ARG 12 N 2.98 0.41 -6.01 5.44 1.12 -1.33 -3.46 114.38 113.53 1z5l h ARG 12 Ca -0.45 -0.43 -0.57 0.00 -1.11 0.00 0.00 59.98 57.42 1z5l h ARG 12 Cb 1.16 0.12 -0.09 0.00 -0.01 0.00 0.00 29.97 31.15 1z5l h ARG 12 CO 0.75 1.09 -0.56 -1.01 -3.11 0.00 0.00 179.97 177.13 1z5l s HIS 13 N -3.23 2.62 0.06 2.20 3.76 -1.26 -5.04 115.29 114.40 1z5l s HIS 13 Ca -0.13 -0.45 -0.32 0.00 -0.15 0.00 0.00 55.06 54.00 1z5l s HIS 13 Cb 0.04 -1.65 -0.11 0.00 1.11 0.00 0.00 32.58 31.96 1z5l s HIS 13 CO 0.82 0.36 1.84 -2.30 -0.85 0.00 0.00 174.74 174.61 1z5l n PRO 14 N -1.09 2.58 -2.36 8.40 -0.02 -1.26 -4.91 135.00 136.35 1z5l n PRO 14 Ca -0.03 0.94 -0.42 0.00 -2.02 0.00 0.00 63.50 61.97 1z5l n PRO 14 Cb 0.62 -2.82 -0.03 0.00 -0.02 0.00 0.00 33.50 31.26 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 3.14 4.35 -0.05 0.52 0.04 -1.26 -5.02 135.00 136.73 1z5l s PRO 15 Ca 0.85 1.82 0.02 0.00 0.04 0.00 0.00 61.00 63.74 1z5l s PRO 15 Cb -0.55 -3.47 0.01 0.00 0.04 0.00 0.00 34.50 30.54 1z5l s PRO 15 CO 0.42 -0.42 -0.09 -2.00 0.04 0.00 0.00 177.00 174.94 1z5l s GLU 16 N 1.80 1.25 0.28 4.56 2.12 -1.26 -5.07 118.70 122.38 1z5l s GLU 16 Ca 0.60 -0.30 -0.30 0.00 0.36 0.00 0.00 54.97 55.33 1z5l s GLU 16 Cb -0.29 -1.11 -0.13 0.00 0.26 0.00 0.00 34.13 32.86 1z5l s GLU 16 CO 0.26 0.02 1.35 0.09 -0.54 0.00 0.00 175.26 176.45 1z5l n ASN 17 N 3.74 2.72 0.00 -1.70 3.02 -1.25 -1.35 115.26 120.44 1z5l n ASN 17 Ca -0.23 1.17 0.00 0.00 -0.03 0.00 0.00 54.58 55.49 1z5l n ASN 17 Cb 0.52 -1.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.24 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 1.64 1.40 3.42 7.41 0.00 0.40 -5.00 105.19 114.46 1z5l n GLY 18 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.15 3.51 -0.09 1.61 2.20 -0.46 -4.99 119.74 121.38 1z5l s LYS 19 Ca 0.00 -0.57 -0.38 0.00 -0.36 0.00 0.00 55.97 54.66 1z5l s LYS 19 Cb 0.00 -3.36 -0.16 0.00 -1.51 0.00 0.00 37.83 32.81 1z5l s LYS 19 CO 0.00 -0.26 1.60 -2.30 -0.36 0.00 0.00 175.35 174.03 1z5l n PRO 20 N 4.92 1.32 -1.78 4.03 -0.02 -1.26 -4.32 135.00 137.90 1z5l n PRO 20 Ca -0.16 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1z5l n PRO 20 Cb 0.51 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 4.31 0.41 -3.87 2.55 2.85 0.13 -5.00 115.26 116.62 1z5l n ASN 21 Ca 0.22 -0.89 -0.16 0.00 -0.11 0.00 0.00 54.58 53.65 1z5l n ASN 21 Cb 0.18 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.05 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 -1.66 0.23 -0.18 -1.44 1.01 -1.26 -1.96 121.20 115.94 1z5l s ILE 22 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.57 1z5l s ILE 22 Cb 0.00 -0.26 -0.03 0.00 0.01 0.00 0.00 42.46 42.18 1z5l s ILE 22 CO 0.00 0.11 -0.01 -0.22 0.00 0.00 0.00 174.94 174.82 1z5l s LEU 23 N 0.49 3.33 0.00 2.97 2.96 -0.16 -0.91 118.68 127.36 1z5l s LEU 23 Ca -0.05 -0.13 0.00 0.00 -0.22 0.00 0.00 54.13 53.73 1z5l s LEU 23 Cb -0.08 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 1z5l s LEU 23 CO -0.01 0.13 0.07 0.20 -1.32 0.00 0.00 176.35 175.42 1z5l s ASN 24 N 0.61 5.57 -0.24 3.68 0.01 -0.23 -1.04 114.94 123.30 1z5l s ASN 24 Ca -0.01 0.11 -0.00 0.00 -0.71 0.00 0.00 52.86 52.24 1z5l s ASN 24 Cb -0.14 -1.57 0.07 0.00 0.41 0.00 0.00 41.25 40.02 1z5l s ASN 24 CO 0.02 0.26 -0.00 0.00 -1.51 0.00 0.00 177.10 175.87 1z5l s TYR 26 N 1.51 3.23 -0.23 0.00 5.04 0.52 -1.76 117.35 125.67 1z5l s TYR 26 Ca -0.01 -0.41 -0.05 0.00 -2.44 0.00 0.00 57.07 54.15 1z5l s TYR 26 Cb -0.18 -2.56 -0.02 0.00 0.35 0.00 0.00 41.96 39.54 1z5l s TYR 26 CO -0.09 -0.50 0.01 0.08 -1.34 0.00 0.00 175.55 173.70 1z5l s VAL 27 N 1.73 3.84 0.35 3.14 1.01 -0.41 -1.03 120.40 129.03 1z5l s VAL 27 Ca 0.06 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.75 1z5l s VAL 27 Cb -0.18 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 1z5l s VAL 27 CO 0.10 0.39 0.15 0.42 0.00 0.00 0.00 175.10 176.17 1z5l s THR 28 N 1.47 0.47 -1.07 3.92 -4.23 -0.76 -1.16 115.64 114.28 1z5l s THR 28 Ca 0.05 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 1z5l s THR 28 Cb -0.15 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.23 1z5l s THR 28 CO 0.00 0.00 0.00 1.67 -0.54 0.00 0.00 174.62 175.75 1z5l n GLN 29 N -0.73 -0.71 -4.09 3.99 -0.06 -0.93 -1.59 117.38 113.26 1z5l n GLN 29 Ca -0.01 0.85 -0.22 0.00 -2.00 0.00 0.00 57.00 55.61 1z5l n GLN 29 Cb 0.65 -4.78 -0.06 0.00 -4.06 0.00 0.00 30.24 21.99 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 -2.38 2.81 -0.29 3.69 -0.71 -1.19 -3.99 117.98 115.92 1z5l s PHE 30 Ca 0.00 -0.28 -0.19 0.00 -1.04 0.00 0.00 56.93 55.42 1z5l s PHE 30 Cb 0.00 -1.53 0.16 0.00 -1.21 0.00 0.00 43.02 40.44 1z5l s PHE 30 CO 0.00 0.40 1.12 -1.58 -1.34 0.00 0.00 175.22 173.82 1z5l s HIS 31 N -2.33 -0.36 0.87 3.49 2.46 -1.04 -1.60 115.29 116.77 1z5l s HIS 31 Ca 0.36 0.76 -0.13 0.00 0.47 0.00 0.00 55.06 56.52 1z5l s HIS 31 Cb -0.05 0.28 0.13 0.00 -0.13 0.00 0.00 32.58 32.81 1z5l s HIS 31 CO 0.23 -0.18 1.23 -1.25 -2.47 0.00 0.00 174.74 172.31 1z5l s PRO 32 N 0.93 1.42 0.00 2.88 0.04 -1.26 -2.05 135.00 136.96 1z5l s PRO 32 Ca -0.05 -0.12 0.08 0.00 0.04 0.00 0.00 61.00 60.95 1z5l s PRO 32 Cb -0.04 -1.91 0.47 0.00 0.04 0.00 0.00 34.50 33.06 1z5l s PRO 32 CO -0.12 -1.92 0.88 -0.35 0.04 0.00 0.00 177.00 175.53 1z5l n PRO 33 N -3.49 0.32 -3.19 0.56 -0.04 -1.26 -4.69 135.00 123.20 1z5l n PRO 33 Ca 0.11 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.17 1z5l n PRO 33 Cb 0.60 -1.39 -0.06 0.00 -0.04 0.00 0.00 33.50 32.61 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 -2.00 3.36 -0.09 0.54 3.76 -1.26 -5.02 115.29 114.58 1z5l s HIS 34 Ca 0.12 0.82 -0.23 0.00 -0.15 0.00 0.00 55.06 55.62 1z5l s HIS 34 Cb 0.05 -2.73 0.05 0.00 1.11 0.00 0.00 32.58 31.06 1z5l s HIS 34 CO 0.09 -0.16 0.53 -1.50 -0.85 0.00 0.00 174.74 172.86 1z5l s ILE 35 N 1.85 0.02 -0.15 0.60 2.07 -1.26 -4.59 121.20 119.74 1z5l s ILE 35 Ca 0.26 -0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.36 1z5l s ILE 35 Cb -0.16 -0.82 -0.00 0.00 0.13 0.00 0.00 42.46 41.61 1z5l s ILE 35 CO 0.10 -0.08 -0.15 -0.70 -1.91 0.00 0.00 174.94 172.20 1z5l s GLU 36 N -0.76 3.25 -0.09 3.50 2.56 -0.68 -5.01 118.70 121.46 1z5l s GLU 36 Ca -0.08 -0.74 0.04 0.00 0.00 0.00 0.00 54.97 54.18 1z5l s GLU 36 Cb -0.03 -2.62 0.00 0.00 2.00 0.00 0.00 34.13 33.49 1z5l s GLU 36 CO 0.05 0.06 -0.21 0.42 -0.56 0.00 0.00 175.26 175.03 1z5l s ILE 37 N 0.71 1.83 -0.01 -3.70 1.01 -1.26 -0.84 121.20 118.94 1z5l s ILE 37 Ca -0.07 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.73 1z5l s ILE 37 Cb -0.16 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 1z5l s ILE 37 CO 0.02 0.51 -0.12 -1.10 0.00 0.00 0.00 174.94 174.25 1z5l s GLN 38 N 0.40 0.98 -0.09 2.79 -0.21 -0.56 -5.02 119.66 117.96 1z5l s GLN 38 Ca -0.17 -0.42 -0.01 0.00 0.02 0.00 0.00 55.36 54.77 1z5l s GLN 38 Cb -0.17 -0.94 -0.03 0.00 1.00 0.00 0.00 33.01 32.86 1z5l s GLN 38 CO 0.08 0.25 -0.03 -1.64 -2.12 0.00 0.00 175.29 171.83 1z5l s MET 39 N -0.25 2.96 0.05 2.91 -1.94 -1.26 0.16 119.30 121.93 1z5l s MET 39 Ca 0.04 -0.47 0.08 0.00 -1.71 0.00 0.00 55.69 53.63 1z5l s MET 39 Cb -0.05 -2.73 -0.03 0.00 2.01 0.00 0.00 34.83 34.03 1z5l s MET 39 CO -0.00 0.64 -0.23 -0.51 -0.01 0.00 0.00 175.02 174.91 1z5l s LEU 40 N -0.73 2.37 -0.16 -0.03 1.43 -0.28 -1.11 118.68 120.17 1z5l s LEU 40 Ca 0.11 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 1z5l s LEU 40 Cb -0.11 -1.39 0.00 0.00 0.03 0.00 0.00 46.19 44.72 1z5l s LEU 40 CO 0.02 0.26 -0.16 -0.75 0.23 0.00 0.00 176.35 175.94 1z5l s LYS 41 N -1.35 3.16 -1.54 1.70 2.20 0.43 -1.62 119.74 122.72 1z5l s LYS 41 Ca 0.13 -0.77 -0.11 0.00 -0.36 0.00 0.00 55.97 54.86 1z5l s LYS 41 Cb -0.10 -2.61 0.08 0.00 -1.51 0.00 0.00 37.83 33.69 1z5l s LYS 41 CO 0.04 -0.03 0.77 0.09 -0.36 0.00 0.00 175.35 175.86 1z5l n ASN 42 N 4.17 -2.99 0.00 1.43 3.02 0.26 -1.17 115.26 119.98 1z5l n ASN 42 Ca -0.19 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.45 1z5l n ASN 42 Cb 0.51 -3.37 0.00 0.00 -0.61 0.00 0.00 39.78 36.31 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 -1.65 0.75 3.50 7.41 0.00 -1.26 -5.00 105.19 108.95 1z5l n GLY 43 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.34 2.59 0.28 1.61 -0.14 -0.32 -5.03 119.74 118.39 1z5l s LYS 44 Ca 0.00 -0.65 -0.30 0.00 -1.36 0.00 0.00 55.97 53.65 1z5l s LYS 44 Cb 0.00 -2.44 -0.12 0.00 -1.68 0.00 0.00 37.83 33.59 1z5l s LYS 44 CO 0.00 0.63 1.60 1.17 -0.76 0.00 0.00 175.35 177.99 1z5l n LYS 45 N 2.31 2.68 -3.25 1.68 4.81 -1.26 -0.43 118.16 124.70 1z5l n LYS 45 Ca -0.17 0.95 -0.40 0.00 -0.87 0.00 0.00 58.31 57.82 1z5l n LYS 45 Cb 0.52 -2.74 -0.08 0.00 0.02 0.00 0.00 35.03 32.76 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 0.12 5.08 0.02 3.15 1.01 -0.26 -4.81 121.20 125.50 1z5l s ILE 46 Ca 0.65 0.84 -0.27 0.00 0.00 0.00 0.00 60.65 61.88 1z5l s ILE 46 Cb -0.51 -3.82 -0.16 0.00 0.01 0.00 0.00 42.46 37.99 1z5l s ILE 46 CO 0.47 0.09 1.26 -0.65 0.00 0.00 0.00 174.94 176.11 1z5l h PRO 47 N 8.04 -0.63 -4.71 2.79 0.11 -1.94 -3.38 132.00 132.27 1z5l h PRO 47 Ca -0.29 0.04 -0.60 0.00 0.11 0.00 0.00 66.00 65.26 1z5l h PRO 47 Cb 1.14 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1z5l h PRO 47 CO 0.71 -0.33 2.21 1.17 -0.21 0.00 0.00 178.00 181.55 1z5l n LYS 48 N -5.27 1.95 -4.01 1.05 4.81 -1.26 -4.89 118.16 110.53 1z5l n LYS 48 Ca -0.11 -2.25 -0.34 0.00 -0.87 0.00 0.00 58.31 54.74 1z5l n LYS 48 Cb 0.31 -3.21 -0.15 0.00 0.02 0.00 0.00 35.03 32.00 1z5l n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1z5l s VAL 49 N 5.79 2.61 0.14 3.15 1.01 -1.26 -4.40 120.40 127.44 1z5l s VAL 49 Ca 0.57 -1.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.45 1z5l s VAL 49 Cb 0.10 -2.27 -0.06 0.00 0.00 0.00 0.00 36.38 34.15 1z5l s VAL 49 CO 0.08 0.30 0.47 -1.61 0.00 0.00 0.00 175.10 174.34 1z5l s GLU 50 N 1.31 3.80 -0.04 2.72 8.01 -0.11 -4.90 118.70 129.49 1z5l s GLU 50 Ca 0.01 0.24 0.03 0.00 0.01 0.00 0.00 54.97 55.26 1z5l s GLU 50 Cb -0.16 -2.88 0.00 0.00 -4.31 0.00 0.00 34.13 26.79 1z5l s GLU 50 CO -0.07 0.47 -0.13 -1.64 0.01 0.00 0.00 175.26 173.90 1z5l s MET 51 N -2.24 1.52 0.94 1.61 -1.94 -1.26 -0.46 119.30 117.47 1z5l s MET 51 Ca 0.39 -0.47 -0.12 0.00 -1.71 0.00 0.00 55.69 53.78 1z5l s MET 51 Cb -0.13 -1.32 0.16 0.00 2.01 0.00 0.00 34.83 35.54 1z5l s MET 51 CO 0.20 0.15 1.09 -1.54 -0.01 0.00 0.00 175.02 174.91 1z5l s SER 52 N 0.25 3.01 0.41 3.03 1.04 0.74 -4.98 113.70 117.20 1z5l s SER 52 Ca -0.07 1.53 -0.24 0.00 0.48 0.00 0.00 55.95 57.65 1z5l s SER 52 Cb -0.12 -2.20 -0.08 0.00 0.10 0.00 0.00 66.02 63.72 1z5l s SER 52 CO 0.02 -2.94 1.15 -1.81 0.98 0.00 0.00 173.24 170.65 1z5l s ASP 53 N -3.23 6.46 0.31 7.02 1.01 -1.26 -4.78 116.67 122.20 1z5l s ASP 53 Ca 0.65 2.30 -0.30 0.00 0.71 0.00 0.00 52.55 55.91 1z5l s ASP 53 Cb -0.19 -2.61 -0.12 0.00 1.01 0.00 0.00 42.92 41.01 1z5l s ASP 53 CO 0.58 -0.71 1.56 0.80 0.21 0.00 0.00 175.17 177.61 1z5l n MET 54 N -0.08 2.67 -4.27 8.23 0.00 -1.26 -4.87 117.12 117.54 1z5l n MET 54 Ca 0.05 0.95 -0.18 0.00 -0.00 0.00 0.00 57.70 58.52 1z5l n MET 54 Cb 0.47 -2.71 -0.08 0.00 0.00 0.00 0.00 33.22 30.90 1z5l n MET 54 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1z5l s SER 55 N 0.32 1.41 0.16 6.12 0.15 -1.03 -5.04 113.70 115.80 1z5l s SER 55 Ca 0.61 -1.70 0.00 0.00 0.70 0.00 0.00 55.95 55.57 1z5l s SER 55 Cb -0.50 0.53 -0.04 0.00 -1.71 0.00 0.00 66.02 64.30 1z5l s SER 55 CO 0.53 -1.02 0.05 0.72 1.20 0.00 0.00 173.24 174.71 1z5l s PHE 56 N -3.57 1.07 0.50 3.44 -0.12 -1.26 -1.52 117.98 116.52 1z5l s PHE 56 Ca 0.41 -1.17 0.07 0.00 -0.05 0.00 0.00 56.93 56.19 1z5l s PHE 56 Cb 0.03 -0.60 0.07 0.00 -0.63 0.00 0.00 43.02 41.90 1z5l s PHE 56 CO 0.25 -0.41 0.61 0.43 -0.05 0.00 0.00 175.22 176.05 1z5l n SER 57 N -0.19 2.01 -0.22 1.98 7.64 -0.63 -4.95 113.62 119.26 1z5l n SER 57 Ca -0.05 -2.41 0.03 0.00 1.01 0.00 0.00 58.87 57.45 1z5l n SER 57 Cb 0.64 -0.29 0.14 0.00 -1.01 0.00 0.00 64.21 63.69 1z5l n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1z5l h LYS 58 N 0.00 0.24 -0.01 1.43 1.63 -2.03 -2.08 116.57 115.76 1z5l h LYS 58 Ca -0.25 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.53 1z5l h LYS 58 Cb 1.09 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.67 1z5l h LYS 58 CO 0.37 0.16 0.00 -0.40 -3.45 0.00 0.00 179.45 176.13 1z5l n ASP 59 N -5.16 0.04 0.00 4.20 3.85 -1.26 -4.88 116.55 113.35 1z5l n ASP 59 Ca 0.11 -1.68 0.00 0.00 -0.71 0.00 0.00 54.79 52.51 1z5l n ASP 59 Cb 0.39 -0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.15 1z5l n ASP 59 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 1z5l n TRP 60 N -0.63 0.00 -2.73 2.11 7.02 -0.78 -5.03 117.44 117.39 1z5l n TRP 60 Ca 0.08 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.21 1z5l n TRP 60 Cb 0.04 -0.12 -0.06 0.00 -2.42 0.00 0.00 31.31 28.76 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 -3.39 6.95 0.34 -0.99 1.04 -1.26 -4.62 113.70 111.77 1z5l s SER 61 Ca 0.00 1.81 -0.09 0.00 0.48 0.00 0.00 55.95 58.15 1z5l s SER 61 Cb 0.00 -2.56 -0.06 0.00 0.10 0.00 0.00 66.02 63.49 1z5l s SER 61 CO 0.00 -0.35 0.68 -0.36 0.98 0.00 0.00 173.24 174.19 1z5l s PHE 62 N -1.92 3.45 0.08 5.02 0.40 -0.63 -1.60 117.98 122.79 1z5l s PHE 62 Ca 0.59 0.93 -0.05 0.00 -0.60 0.00 0.00 56.93 57.80 1z5l s PHE 62 Cb -0.15 -2.34 -0.02 0.00 0.51 0.00 0.00 43.02 41.03 1z5l s PHE 62 CO 0.19 0.04 0.11 1.52 0.70 0.00 0.00 175.22 177.78 1z5l s TYR 63 N -2.18 0.35 -0.11 0.36 -0.85 -0.58 -2.20 117.35 112.16 1z5l s TYR 63 Ca 0.49 -0.82 -0.30 0.00 -0.52 0.00 0.00 57.07 55.93 1z5l s TYR 63 Cb -0.10 -0.21 0.07 0.00 0.38 0.00 0.00 41.96 42.10 1z5l s TYR 63 CO 0.28 -0.50 0.71 -1.50 -1.52 0.00 0.00 175.55 173.02 1z5l s ILE 64 N -3.90 0.00 -0.09 -3.49 2.07 -0.31 -2.46 121.20 113.02 1z5l s ILE 64 Ca 0.08 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.35 1z5l s ILE 64 Cb 0.06 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.64 1z5l s ILE 64 CO -0.09 0.00 -0.18 -0.22 -1.91 0.00 0.00 174.94 172.54 1z5l s LEU 65 N -0.82 2.47 0.07 8.50 2.96 -1.26 -1.29 118.68 129.30 1z5l s LEU 65 Ca -0.08 -0.38 0.07 0.00 -0.22 0.00 0.00 54.13 53.53 1z5l s LEU 65 Cb -0.01 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 1z5l s LEU 65 CO 0.07 0.23 -0.15 0.00 -1.32 0.00 0.00 176.35 175.18 1z5l s ALA 66 N -0.04 2.76 -0.01 5.97 0.00 -0.72 -0.19 121.76 129.53 1z5l s ALA 66 Ca -0.05 -1.22 -0.19 0.00 0.00 0.00 0.00 51.96 50.50 1z5l s ALA 66 Cb -0.14 -0.80 0.04 0.00 0.00 0.00 0.00 23.12 22.21 1z5l s ALA 66 CO 0.04 0.60 0.41 -3.38 0.00 0.00 0.00 175.76 173.43 1z5l s HIS 67 N -1.06 -0.30 0.09 0.00 -3.43 0.39 -0.20 115.29 110.78 1z5l s HIS 67 Ca 0.17 0.45 -0.09 0.00 -0.80 0.00 0.00 55.06 54.80 1z5l s HIS 67 Cb -0.11 0.18 -0.00 0.00 -1.43 0.00 0.00 32.58 31.23 1z5l s HIS 67 CO 0.09 -0.47 0.19 -0.08 -2.00 0.00 0.00 174.74 172.47 1z5l s THR 68 N -1.48 0.14 -0.03 -5.38 -1.32 -0.21 -0.93 115.64 106.43 1z5l s THR 68 Ca -0.12 -1.19 -0.30 0.00 -1.21 0.00 0.00 61.69 58.88 1z5l s THR 68 Cb -0.03 -1.35 -0.03 0.00 -1.51 0.00 0.00 72.50 69.59 1z5l s THR 68 CO 0.05 -0.65 1.01 -1.61 -2.21 0.00 0.00 174.62 171.21 1z5l s GLU 69 N -3.86 4.50 0.12 7.08 2.02 -1.26 -0.98 118.70 126.31 1z5l s GLU 69 Ca 0.05 1.44 -0.05 0.00 0.02 0.00 0.00 54.97 56.44 1z5l s GLU 69 Cb 0.05 -3.49 -0.02 0.00 0.10 0.00 0.00 34.13 30.77 1z5l s GLU 69 CO -0.11 -0.17 0.14 -0.59 0.02 0.00 0.00 175.26 174.54 1z5l s PHE 70 N 1.41 0.52 -0.28 1.61 -0.71 -0.83 -4.92 117.98 114.79 1z5l s PHE 70 Ca 0.51 -0.94 -0.00 0.00 -1.04 0.00 0.00 56.93 55.47 1z5l s PHE 70 Cb -0.21 -0.25 0.09 0.00 -1.21 0.00 0.00 43.02 41.43 1z5l s PHE 70 CO 0.24 -0.56 0.05 -0.08 -1.34 0.00 0.00 175.22 173.53 1z5l s THR 71 N -3.97 1.14 -0.03 -4.49 -1.32 -1.26 0.17 115.64 105.89 1z5l s THR 71 Ca 0.15 -1.35 -0.37 0.00 -1.21 0.00 0.00 61.69 58.91 1z5l s THR 71 Cb 0.06 -1.73 -0.15 0.00 -1.51 0.00 0.00 72.50 69.16 1z5l s THR 71 CO -0.03 -0.47 1.55 -0.81 -2.21 0.00 0.00 174.62 172.64 1z5l n PRO 72 N 4.76 1.40 -4.44 7.08 -0.04 -1.26 -4.72 135.00 137.78 1z5l n PRO 72 Ca -0.04 0.51 -0.21 0.00 -0.04 0.00 0.00 63.50 63.71 1z5l n PRO 72 Cb 0.43 -2.20 -0.11 0.00 -0.04 0.00 0.00 33.50 31.59 1z5l n PRO 72 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1z5l s THR 73 N 1.79 1.22 -2.11 0.52 2.01 -1.26 -0.46 115.64 117.35 1z5l s THR 73 Ca 0.88 -2.01 0.19 0.00 0.31 0.00 0.00 61.69 61.06 1z5l s THR 73 Cb -0.92 -2.74 0.48 0.00 0.01 0.00 0.00 72.50 69.32 1z5l s THR 73 CO 0.51 -0.04 1.43 -1.84 -0.69 0.00 0.00 174.62 173.99 1z5l n GLU 74 N -0.66 2.26 0.00 4.92 0.00 -1.26 -3.98 120.64 121.92 1z5l n GLU 74 Ca -0.03 -1.94 0.00 0.00 0.00 0.00 0.00 57.16 55.19 1z5l n GLU 74 Cb 0.66 -1.44 0.00 0.00 0.00 0.00 0.00 31.44 30.66 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 1.09 0.00 -4.63 3.84 -2.24 -1.26 -5.05 114.28 106.03 1z5l n THR 75 Ca 0.18 -0.32 -0.34 0.00 -2.27 0.00 0.00 64.05 61.30 1z5l n THR 75 Cb 0.47 1.12 -0.11 0.00 -2.10 0.00 0.00 70.33 69.71 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 -0.43 4.62 0.03 3.42 1.01 -1.26 -5.03 116.67 119.04 1z5l s ASP 76 Ca 0.00 -0.03 0.04 0.00 0.71 0.00 0.00 52.55 53.27 1z5l s ASP 76 Cb 0.00 -1.16 -0.04 0.00 1.01 0.00 0.00 42.92 42.73 1z5l s ASP 76 CO 0.00 0.36 -0.05 0.42 0.21 0.00 0.00 175.17 176.11 1z5l s THR 77 N -0.79 3.78 -0.04 -1.27 -4.23 -1.26 -4.67 115.64 107.15 1z5l s THR 77 Ca 0.12 -0.83 0.04 0.00 -1.18 0.00 0.00 61.69 59.84 1z5l s THR 77 Cb -0.11 -2.69 -0.00 0.00 1.34 0.00 0.00 72.50 71.04 1z5l s THR 77 CO 0.01 0.31 -0.16 -0.31 -0.54 0.00 0.00 174.62 173.94 1z5l s TYR 78 N -1.09 1.59 0.14 3.99 1.51 -1.26 -0.58 117.35 121.64 1z5l s TYR 78 Ca 0.20 -0.46 -0.01 0.00 -1.01 0.00 0.00 57.07 55.79 1z5l s TYR 78 Cb -0.11 -1.08 -0.04 0.00 -0.11 0.00 0.00 41.96 40.61 1z5l s TYR 78 CO 0.11 -0.16 0.04 0.00 -1.11 0.00 0.00 175.55 174.43 1z5l s ALA 79 N 0.10 0.94 -0.07 3.71 0.00 -0.64 0.57 121.76 126.37 1z5l s ALA 79 Ca -0.04 -1.49 0.03 0.00 0.00 0.00 0.00 51.96 50.46 1z5l s ALA 79 Cb -0.11 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.81 1z5l s ALA 79 CO 0.02 -0.46 -0.16 0.00 0.00 0.00 0.00 175.76 175.16 1z5l s ARG 81 N 0.50 3.17 -0.11 0.00 3.52 0.12 -0.77 118.95 125.39 1z5l s ARG 81 Ca -0.15 -0.75 0.00 0.00 -0.13 0.00 0.00 55.73 54.70 1z5l s ARG 81 Cb -0.16 -2.49 0.02 0.00 -1.56 0.00 0.00 34.95 30.76 1z5l s ARG 81 CO 0.05 0.25 -0.09 0.08 -0.81 0.00 0.00 175.30 174.78 1z5l s VAL 82 N 0.23 1.12 -0.31 7.11 1.01 0.15 -1.49 120.40 128.22 1z5l s VAL 82 Ca -0.11 -0.37 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 1z5l s VAL 82 Cb -0.16 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1z5l s VAL 82 CO 0.06 0.38 0.22 -0.54 0.00 0.00 0.00 175.10 175.22 1z5l s LYS 83 N 1.52 3.69 0.02 2.72 1.02 -0.02 -0.93 119.74 127.76 1z5l s LYS 83 Ca 0.02 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 55.51 1z5l s LYS 83 Cb -0.13 -3.74 -0.02 0.00 -0.52 0.00 0.00 37.83 33.42 1z5l s LYS 83 CO -0.07 -0.33 -0.04 -1.58 -0.92 0.00 0.00 175.35 172.42 1z5l s HIS 84 N 1.74 0.32 0.55 3.18 2.46 -1.26 -1.69 115.29 120.57 1z5l s HIS 84 Ca 0.06 -0.46 0.22 0.00 0.47 0.00 0.00 55.06 55.36 1z5l s HIS 84 Cb -0.17 -0.21 1.46 0.00 -0.13 0.00 0.00 32.58 33.53 1z5l s HIS 84 CO 0.11 -0.14 2.15 0.00 -2.47 0.00 0.00 174.74 174.39 1z5l h ALA 85 N 4.82 1.92 -0.06 1.58 0.00 -1.93 -1.48 119.26 124.11 1z5l h ALA 85 Ca -0.32 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.61 1z5l h ALA 85 Cb 1.21 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1z5l h ALA 85 CO 0.42 -0.11 0.16 0.77 0.00 0.00 0.00 179.25 180.50 1z5l h SER 86 N 0.00 0.00 -4.45 0.00 0.02 -1.89 -3.44 113.55 103.80 1z5l h SER 86 Ca 0.04 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.33 1z5l h SER 86 Cb 0.17 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 62.42 1z5l h SER 86 CO -0.00 0.00 -0.87 -0.04 -1.14 0.00 0.00 176.83 174.78 1z5l s MET 87 N -4.31 1.82 0.00 3.45 -1.94 -0.56 -4.95 119.30 112.81 1z5l s MET 87 Ca -0.04 -0.91 0.00 0.00 -1.71 0.00 0.00 55.69 53.02 1z5l s MET 87 Cb 0.13 -1.83 0.00 0.00 2.01 0.00 0.00 34.83 35.13 1z5l s MET 87 CO 0.42 0.49 0.97 0.00 -0.01 0.00 0.00 175.02 176.89 1z5l n ALA 88 N 2.26 -0.37 -2.38 3.03 0.00 -1.26 -4.72 120.51 117.06 1z5l n ALA 88 Ca -0.16 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.08 1z5l n ALA 88 Cb 0.52 0.10 -0.02 0.00 0.00 0.00 0.00 19.45 20.05 1z5l n ALA 88 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1z5l s GLU 89 N -2.87 2.83 0.70 0.00 -1.05 -1.26 -5.03 118.70 112.02 1z5l s GLU 89 Ca 0.00 -1.24 -0.16 0.00 -0.15 0.00 0.00 54.97 53.42 1z5l s GLU 89 Cb 0.00 -2.61 0.01 0.00 -0.44 0.00 0.00 34.13 31.09 1z5l s GLU 89 CO 0.00 -0.01 1.11 -2.30 0.95 0.00 0.00 175.26 175.01 1z5l n PRO 90 N -1.55 0.71 -4.36 -4.83 -0.02 -1.26 -4.87 135.00 118.81 1z5l n PRO 90 Ca 0.01 0.30 -0.34 0.00 -2.02 0.00 0.00 63.50 61.45 1z5l n PRO 90 Cb 0.59 -2.35 -0.13 0.00 -0.02 0.00 0.00 33.50 31.59 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 -3.40 3.56 -0.16 -0.52 2.20 -0.11 -4.89 119.74 116.43 1z5l s LYS 91 Ca 0.77 -0.57 0.01 0.00 -0.36 0.00 0.00 55.97 55.82 1z5l s LYS 91 Cb -0.36 -2.90 0.01 0.00 -1.51 0.00 0.00 37.83 33.07 1z5l s LYS 91 CO 0.46 0.14 -0.17 0.99 -0.36 0.00 0.00 175.35 176.41 1z5l s THR 92 N 0.61 2.42 -0.15 3.43 2.01 -1.26 0.33 115.64 123.03 1z5l s THR 92 Ca -0.03 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 61.13 1z5l s THR 92 Cb -0.15 -2.01 -0.00 0.00 0.01 0.00 0.00 72.50 70.35 1z5l s THR 92 CO 0.03 0.52 -0.16 0.54 -0.69 0.00 0.00 174.62 174.86 1z5l s VAL 93 N 0.97 2.63 0.22 3.82 0.11 0.05 -4.94 120.40 123.26 1z5l s VAL 93 Ca -0.03 -0.78 -0.30 0.00 -2.93 0.00 0.00 61.98 57.94 1z5l s VAL 93 Cb -0.15 -2.10 -0.08 0.00 -1.53 0.00 0.00 36.38 32.51 1z5l s VAL 93 CO -0.04 0.52 1.00 -0.31 -3.33 0.00 0.00 175.10 172.94 1z5l s TYR 94 N 0.80 3.83 -0.15 1.54 1.51 -1.26 -0.53 117.35 123.09 1z5l s TYR 94 Ca -0.06 1.82 -0.29 0.00 -1.01 0.00 0.00 57.07 57.53 1z5l s TYR 94 Cb -0.15 -3.09 -0.03 0.00 -0.11 0.00 0.00 41.96 38.57 1z5l s TYR 94 CO -0.00 0.07 1.47 -0.46 -1.11 0.00 0.00 175.55 175.53 1z5l s TRP 95 N -0.89 2.38 -0.53 2.71 -0.00 0.19 -4.95 118.94 117.86 1z5l s TRP 95 Ca 0.44 0.62 -0.23 0.00 -0.00 0.00 0.00 56.10 56.93 1z5l s TRP 95 Cb -0.27 -3.77 0.04 0.00 -0.00 0.00 0.00 33.47 29.47 1z5l s TRP 95 CO 0.34 -2.71 0.84 0.34 -0.00 0.00 0.00 176.95 175.76 1z5l s ASP 96 N 2.97 6.32 0.00 5.86 -1.08 -1.26 -4.67 116.67 124.80 1z5l s ASP 96 Ca 0.65 -0.48 0.00 0.00 -0.52 0.00 0.00 52.55 52.20 1z5l s ASP 96 Cb -0.26 -2.39 0.00 0.00 -1.46 0.00 0.00 42.92 38.81 1z5l s ASP 96 CO 0.23 -1.10 0.00 -2.11 0.52 0.00 0.00 175.17 172.71 1z5l n ARG 97 N 7.03 0.00 0.01 4.34 0.00 -1.26 -2.47 116.66 124.32 1z5l n ARG 97 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.82 1z5l n ARG 97 Cb 0.47 -0.42 -0.01 0.00 -0.00 0.00 0.00 32.46 32.50 1z5l n ARG 97 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1z5l n ASP 98 N 0.35 1.28 0.00 2.89 8.00 -1.26 -4.92 116.55 122.89 1z5l n ASP 98 Ca 0.00 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1z5l n ASP 98 Cb 0.00 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 1z5l n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04