#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zol s LYS 3 N 0.00 2.60 0.06 -1.09 1.02 0.11 -4.93 119.74 117.51 2zol s LYS 3 Ca 0.00 -0.85 -0.31 0.00 0.02 0.00 0.00 55.97 54.84 2zol s LYS 3 Cb 0.00 -2.11 -0.06 0.00 -0.52 0.00 0.00 37.83 35.13 2zol s LYS 3 CO 0.00 0.29 1.33 0.99 -0.92 0.00 0.00 175.35 177.04 2zol s THR 4 N 0.05 3.66 0.44 2.17 2.01 -1.26 -2.76 115.64 119.95 2zol s THR 4 Ca -0.09 1.15 -0.25 0.00 0.31 0.00 0.00 61.69 62.82 2zol s THR 4 Cb -0.15 -3.74 -0.08 0.00 0.01 0.00 0.00 72.50 68.54 2zol s THR 4 CO 0.05 0.06 1.35 -2.84 -0.69 0.00 0.00 174.62 172.55 2zol s PRO 5 N 1.45 3.74 -0.14 4.92 0.02 -1.26 -4.45 135.00 139.27 2zol s PRO 5 Ca 0.62 2.24 -0.06 0.00 0.02 0.00 0.00 61.00 63.82 2zol s PRO 5 Cb -0.33 -2.63 -0.04 0.00 0.02 0.00 0.00 34.50 31.52 2zol s PRO 5 CO 0.29 -0.71 0.06 -0.65 -0.33 0.00 0.00 177.00 175.66 2zol s GLN 6 N -2.44 3.62 0.01 5.54 -1.52 0.15 -4.92 119.66 120.11 2zol s GLN 6 Ca 0.61 -0.32 0.08 0.00 -1.95 0.00 0.00 55.36 53.79 2zol s GLN 6 Cb -0.40 -3.10 -0.02 0.00 -0.22 0.00 0.00 33.01 29.27 2zol s GLN 6 CO 0.51 0.48 -0.26 0.42 -0.25 0.00 0.00 175.29 176.19 2zol s ILE 7 N -0.23 2.11 -0.08 1.08 1.01 -1.26 -0.99 121.20 122.84 2zol s ILE 7 Ca 0.08 -1.22 -0.00 0.00 0.00 0.00 0.00 60.65 59.51 2zol s ILE 7 Cb -0.12 -1.76 0.03 0.00 0.01 0.00 0.00 42.46 40.61 2zol s ILE 7 CO 0.01 0.49 -0.03 -1.10 0.00 0.00 0.00 174.94 174.31 2zol s GLN 8 N -0.87 0.92 -0.18 2.79 -0.21 -0.93 -5.00 119.66 116.18 2zol s GLN 8 Ca 0.11 -0.04 -0.06 0.00 0.02 0.00 0.00 55.36 55.39 2zol s GLN 8 Cb -0.10 -1.11 -0.03 0.00 1.00 0.00 0.00 33.01 32.77 2zol s GLN 8 CO 0.00 -0.24 0.02 0.08 -2.12 0.00 0.00 175.29 173.04 2zol s VAL 9 N 1.64 4.32 0.01 1.09 1.01 -1.26 -1.28 120.40 125.93 2zol s VAL 9 Ca 0.01 -0.20 -0.28 0.00 0.00 0.00 0.00 61.98 61.51 2zol s VAL 9 Cb -0.13 -2.94 0.10 0.00 0.00 0.00 0.00 36.38 33.41 2zol s VAL 9 CO -0.05 0.46 0.86 -0.72 0.00 0.00 0.00 175.10 175.65 2zol s TYR 10 N 0.55 -0.36 0.18 5.22 1.13 -0.81 -4.57 117.35 118.69 2zol s TYR 10 Ca 0.00 0.22 -0.04 0.00 -1.41 0.00 0.00 57.07 55.85 2zol s TYR 10 Cb -0.14 0.54 -0.05 0.00 -1.10 0.00 0.00 41.96 41.21 2zol s TYR 10 CO 0.02 -0.58 0.41 -1.54 -2.51 0.00 0.00 175.55 171.35 2zol s SER 11 N -2.51 6.46 0.13 -0.18 1.04 -1.26 0.67 113.70 118.05 2zol s SER 11 Ca 0.05 0.56 -0.15 0.00 0.48 0.00 0.00 55.95 56.88 2zol s SER 11 Cb -0.01 -2.08 -0.01 0.00 0.10 0.00 0.00 66.02 64.02 2zol s SER 11 CO -0.09 -0.01 1.63 -0.09 0.98 0.00 0.00 173.24 175.65 2zol h ARG 12 N 2.43 0.65 -6.20 4.02 2.43 -0.94 -3.45 114.38 113.33 2zol h ARG 12 Ca -0.47 -0.16 -0.56 0.00 -0.81 0.00 0.00 59.98 57.98 2zol h ARG 12 Cb 1.18 -0.08 -0.10 0.00 -0.42 0.00 0.00 29.97 30.54 2zol h ARG 12 CO 0.70 0.68 -0.66 -1.01 -1.51 0.00 0.00 179.97 178.17 2zol s HIS 13 N -5.28 2.64 0.23 2.20 3.76 -1.26 -5.05 115.29 112.54 2zol s HIS 13 Ca -0.13 -0.24 -0.31 0.00 -0.15 0.00 0.00 55.06 54.22 2zol s HIS 13 Cb 0.10 -1.17 -0.12 0.00 1.11 0.00 0.00 32.58 32.50 2zol s HIS 13 CO 0.77 0.63 1.67 -2.14 -0.85 0.00 0.00 174.74 174.83 2zol s PRO 14 N -3.65 4.13 0.18 8.40 0.02 -1.26 -4.91 135.00 137.90 2zol s PRO 14 Ca 0.31 2.58 -0.29 0.00 0.02 0.00 0.00 61.00 63.62 2zol s PRO 14 Cb -0.06 -3.06 -0.08 0.00 0.02 0.00 0.00 34.50 31.32 2zol s PRO 14 CO 0.19 -0.71 0.92 -1.25 -0.33 0.00 0.00 177.00 175.83 2zol s PRO 15 N 0.66 4.76 -0.06 5.54 0.04 -1.26 -5.05 135.00 139.62 2zol s PRO 15 Ca 0.71 1.42 0.01 0.00 0.04 0.00 0.00 61.00 63.18 2zol s PRO 15 Cb -0.49 -3.32 0.02 0.00 0.04 0.00 0.00 34.50 30.76 2zol s PRO 15 CO 0.37 0.41 -0.06 -1.21 0.04 0.00 0.00 177.00 176.54 2zol s GLU 16 N -0.71 1.13 0.06 4.56 2.02 -1.26 -5.11 118.70 119.39 2zol s GLU 16 Ca 0.42 -0.18 -0.35 0.00 0.02 0.00 0.00 54.97 54.88 2zol s GLU 16 Cb -0.25 -1.12 -0.15 0.00 0.10 0.00 0.00 34.13 32.72 2zol s GLU 16 CO 0.30 -0.11 1.56 0.09 0.02 0.00 0.00 175.26 177.13 2zol n ASN 17 N 4.26 2.62 0.00 -0.19 3.02 -1.26 -1.33 115.26 122.38 2zol n ASN 17 Ca -0.20 1.08 0.00 0.00 -0.03 0.00 0.00 54.58 55.43 2zol n ASN 17 Cb 0.51 -1.32 0.00 0.00 -0.61 0.00 0.00 39.78 38.36 2zol n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2zol n GLY 18 N 3.35 2.97 3.68 7.41 0.00 -0.43 -5.01 105.19 117.16 2zol n GLY 18 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 2zol n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2zol s LYS 19 N -0.69 4.26 0.38 1.61 -0.14 -0.44 -4.95 119.74 119.77 2zol s LYS 19 Ca 0.00 0.48 -0.27 0.00 -1.36 0.00 0.00 55.97 54.82 2zol s LYS 19 Cb 0.00 -3.52 -0.11 0.00 -1.68 0.00 0.00 37.83 32.52 2zol s LYS 19 CO 0.00 -0.05 1.27 -2.30 -0.76 0.00 0.00 175.35 173.51 2zol n PRO 20 N 4.40 2.00 -3.15 -1.68 -0.02 -1.26 -4.20 135.00 131.09 2zol n PRO 20 Ca -0.05 0.71 -0.09 0.00 -2.02 0.00 0.00 63.50 62.05 2zol n PRO 20 Cb 0.51 -2.34 -0.01 0.00 -0.02 0.00 0.00 33.50 31.64 2zol n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2zol n ASN 21 N 0.50 -1.11 -4.14 2.55 2.85 0.49 -4.98 115.26 111.42 2zol n ASN 21 Ca 0.06 -2.26 -0.29 0.00 -0.11 0.00 0.00 54.58 51.98 2zol n ASN 21 Cb 0.38 1.99 -0.17 0.00 1.24 0.00 0.00 39.78 43.22 2zol n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2zol s ILE 22 N -2.62 1.72 -0.21 -1.44 -1.09 -1.26 -2.10 121.20 114.20 2zol s ILE 22 Ca 0.18 -0.81 -0.08 0.00 -2.23 0.00 0.00 60.65 57.70 2zol s ILE 22 Cb -0.01 -1.51 -0.04 0.00 -1.58 0.00 0.00 42.46 39.31 2zol s ILE 22 CO 0.13 0.48 0.10 -0.22 -1.23 0.00 0.00 174.94 174.20 2zol s LEU 23 N 0.54 3.86 -0.01 2.97 2.96 -0.68 -0.16 118.68 128.16 2zol s LEU 23 Ca -0.15 0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.81 2zol s LEU 23 Cb -0.17 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 2zol s LEU 23 CO 0.05 0.10 -0.01 0.20 -1.32 0.00 0.00 176.35 175.38 2zol s ASN 24 N 0.81 5.04 -0.26 3.68 0.01 0.21 -2.03 114.94 122.40 2zol s ASN 24 Ca 0.05 -0.01 0.02 0.00 -0.71 0.00 0.00 52.86 52.21 2zol s ASN 24 Cb -0.13 -1.31 0.07 0.00 0.41 0.00 0.00 41.25 40.29 2zol s ASN 24 CO 0.02 0.29 -0.06 0.00 -1.51 0.00 0.00 177.10 175.85 2zol s TYR 26 N 1.22 3.30 -0.18 0.00 5.04 -0.40 -0.82 117.35 125.51 2zol s TYR 26 Ca -0.05 -1.27 -0.08 0.00 -2.44 0.00 0.00 57.07 53.24 2zol s TYR 26 Cb -0.19 -3.02 -0.04 0.00 0.35 0.00 0.00 41.96 39.06 2zol s TYR 26 CO -0.07 -0.82 0.09 0.08 -1.34 0.00 0.00 175.55 173.49 2zol s VAL 27 N 1.51 5.02 0.06 3.14 1.01 -0.41 -2.18 120.40 128.55 2zol s VAL 27 Ca 0.03 0.04 -0.05 0.00 0.00 0.00 0.00 61.98 62.01 2zol s VAL 27 Cb -0.23 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 2zol s VAL 27 CO 0.04 0.48 0.09 -0.89 0.00 0.00 0.00 175.10 174.82 2zol s THR 28 N 0.15 0.16 -1.41 3.92 2.01 -0.16 -1.09 115.64 119.22 2zol s THR 28 Ca 0.06 -1.31 0.00 0.00 0.31 0.00 0.00 61.69 60.75 2zol s THR 28 Cb -0.12 -1.19 0.00 0.00 0.01 0.00 0.00 72.50 71.20 2zol s THR 28 CO -0.00 -0.72 0.00 0.00 -0.69 0.00 0.00 174.62 173.21 2zol n GLN 29 N 0.35 -1.20 -4.16 4.92 3.00 -1.00 0.35 117.38 119.64 2zol n GLN 29 Ca -0.16 0.82 -0.27 0.00 -0.01 0.00 0.00 57.00 57.38 2zol n GLN 29 Cb 0.60 -5.14 -0.07 0.00 0.00 0.00 0.00 30.24 25.64 2zol n GLN 29 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 2zol s PHE 30 N -2.73 2.96 -0.27 1.08 -0.12 -1.20 -4.26 117.98 113.44 2zol s PHE 30 Ca 0.00 -0.09 -0.24 0.00 -0.05 0.00 0.00 56.93 56.56 2zol s PHE 30 Cb 0.00 -1.43 0.08 0.00 -0.63 0.00 0.00 43.02 41.04 2zol s PHE 30 CO 0.00 0.52 0.78 -1.58 -0.05 0.00 0.00 175.22 174.89 2zol s HIS 31 N -1.71 -0.76 1.02 3.49 2.46 -1.11 -1.61 115.29 117.06 2zol s HIS 31 Ca 0.29 1.79 -0.12 0.00 0.47 0.00 0.00 55.06 57.48 2zol s HIS 31 Cb -0.10 0.34 0.20 0.00 -0.13 0.00 0.00 32.58 32.89 2zol s HIS 31 CO 0.20 -0.37 1.08 -1.25 -2.47 0.00 0.00 174.74 171.93 2zol s PRO 32 N 0.54 0.26 0.45 2.88 0.04 -1.26 0.09 135.00 138.01 2zol s PRO 32 Ca -0.01 0.69 0.12 0.00 0.04 0.00 0.00 61.00 61.84 2zol s PRO 32 Cb -0.05 -1.70 1.03 0.00 0.04 0.00 0.00 34.50 33.82 2zol s PRO 32 CO -0.04 -2.89 2.06 -1.00 0.04 0.00 0.00 177.00 175.18 2zol h PRO 33 N -2.01 0.34 -6.47 0.56 0.13 -2.00 -3.44 132.00 119.11 2zol h PRO 33 Ca -0.55 -0.02 -0.53 0.00 -0.87 0.00 0.00 66.00 64.03 2zol h PRO 33 Cb 1.32 -0.08 0.02 0.00 0.13 0.00 0.00 31.00 32.40 2zol h PRO 33 CO 0.55 0.22 1.00 -1.58 -0.23 0.00 0.00 178.00 177.96 2zol s HIS 34 N -5.33 2.46 0.04 1.56 2.46 -1.26 -4.98 115.29 110.23 2zol s HIS 34 Ca -0.07 0.32 -0.15 0.00 0.47 0.00 0.00 55.06 55.62 2zol s HIS 34 Cb 0.18 -3.98 0.03 0.00 -0.13 0.00 0.00 32.58 28.67 2zol s HIS 34 CO 0.72 -3.92 0.34 -1.50 -2.47 0.00 0.00 174.74 167.91 2zol s ILE 35 N 2.51 0.07 -0.10 0.89 2.07 -1.26 -4.63 121.20 120.75 2zol s ILE 35 Ca 0.74 -0.58 0.02 0.00 -1.41 0.00 0.00 60.65 59.41 2zol s ILE 35 Cb -0.41 -0.92 0.02 0.00 0.13 0.00 0.00 42.46 41.28 2zol s ILE 35 CO 0.33 -0.32 -0.14 -1.61 -1.91 0.00 0.00 174.94 171.29 2zol s GLU 36 N -2.42 2.01 -0.08 3.50 2.02 -0.23 -5.00 118.70 118.50 2zol s GLU 36 Ca -0.06 -0.49 0.02 0.00 0.02 0.00 0.00 54.97 54.47 2zol s GLU 36 Cb -0.01 -1.74 0.01 0.00 0.10 0.00 0.00 34.13 32.49 2zol s GLU 36 CO -0.02 -0.07 -0.15 0.42 0.02 0.00 0.00 175.26 175.46 2zol s ILE 37 N 1.02 1.37 0.18 -1.63 1.01 -1.26 -0.03 121.20 121.86 2zol s ILE 37 Ca -0.07 -0.60 0.10 0.00 0.00 0.00 0.00 60.65 60.08 2zol s ILE 37 Cb -0.15 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 2zol s ILE 37 CO -0.01 0.41 -0.21 -1.10 0.00 0.00 0.00 174.94 174.03 2zol s GLN 38 N 0.73 1.40 -0.08 2.79 -0.21 0.40 -4.98 119.66 119.71 2zol s GLN 38 Ca -0.13 -1.47 0.03 0.00 0.02 0.00 0.00 55.36 53.82 2zol s GLN 38 Cb -0.16 -1.60 0.01 0.00 1.00 0.00 0.00 33.01 32.26 2zol s GLN 38 CO 0.03 0.34 -0.17 -1.64 -2.12 0.00 0.00 175.29 171.73 2zol s MET 39 N -2.72 2.23 -0.08 2.91 -1.94 -1.26 0.06 119.30 118.50 2zol s MET 39 Ca 0.18 -0.60 0.03 0.00 -1.71 0.00 0.00 55.69 53.60 2zol s MET 39 Cb -0.07 -1.76 -0.02 0.00 2.01 0.00 0.00 34.83 34.99 2zol s MET 39 CO 0.08 0.09 -0.17 -0.51 -0.01 0.00 0.00 175.02 174.50 2zol s LEU 40 N 0.54 2.55 -0.25 -0.03 1.43 0.66 -0.22 118.68 123.35 2zol s LEU 40 Ca -0.16 -0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 52.54 2zol s LEU 40 Cb -0.17 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 2zol s LEU 40 CO 0.06 0.26 0.06 -0.75 0.23 0.00 0.00 176.35 176.21 2zol s LYS 41 N -0.21 3.61 -1.41 1.70 2.20 0.29 -1.04 119.74 124.90 2zol s LYS 41 Ca -0.00 -0.50 0.00 0.00 -0.36 0.00 0.00 55.97 55.10 2zol s LYS 41 Cb -0.13 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.88 2zol s LYS 41 CO 0.03 -0.20 0.00 0.09 -0.36 0.00 0.00 175.35 174.91 2zol n ASN 42 N 4.91 -5.65 0.00 1.43 3.02 -0.65 -1.10 115.26 117.23 2zol n ASN 42 Ca -0.16 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 2zol n ASN 42 Cb 0.51 -4.34 0.00 0.00 -0.61 0.00 0.00 39.78 35.34 2zol n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2zol n GLY 43 N 0.11 0.33 3.60 7.41 0.00 -1.26 -5.03 105.19 110.35 2zol n GLY 43 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 2zol n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2zol s LYS 44 N -0.85 3.16 0.10 1.61 2.20 -0.26 -5.01 119.74 120.70 2zol s LYS 44 Ca 0.00 -0.48 -0.35 0.00 -0.36 0.00 0.00 55.97 54.78 2zol s LYS 44 Cb 0.00 -2.79 -0.15 0.00 -1.51 0.00 0.00 37.83 33.38 2zol s LYS 44 CO 0.00 0.54 1.51 1.17 -0.36 0.00 0.00 175.35 178.21 2zol n LYS 45 N 2.64 1.73 -2.72 4.03 4.81 -1.26 -0.55 118.16 126.84 2zol n LYS 45 Ca -0.18 0.63 -0.42 0.00 -0.87 0.00 0.00 58.31 57.46 2zol n LYS 45 Cb 0.53 -2.35 -0.03 0.00 0.02 0.00 0.00 35.03 33.20 2zol n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2zol s ILE 46 N 1.05 4.81 0.04 3.15 1.01 0.69 -4.83 121.20 127.12 2zol s ILE 46 Ca 0.83 2.00 -0.29 0.00 0.00 0.00 0.00 60.65 63.18 2zol s ILE 46 Cb -0.80 -4.29 -0.17 0.00 0.01 0.00 0.00 42.46 37.20 2zol s ILE 46 CO 0.43 0.03 1.43 1.55 0.00 0.00 0.00 174.94 178.38 2zol h PRO 47 N 7.07 -0.72 -3.95 2.79 0.13 -1.93 -3.39 132.00 132.00 2zol h PRO 47 Ca -0.32 0.05 -0.77 0.00 -0.87 0.00 0.00 66.00 64.08 2zol h PRO 47 Cb 1.16 0.16 -0.23 0.00 0.13 0.00 0.00 31.00 32.22 2zol h PRO 47 CO 0.84 -0.42 0.97 1.63 -0.23 0.00 0.00 178.00 180.78 2zol n LYS 48 N -5.35 3.58 -3.47 0.86 5.02 -1.26 -4.99 118.16 112.54 2zol n LYS 48 Ca -0.12 -4.16 -0.40 0.00 -2.02 0.00 0.00 58.31 51.61 2zol n LYS 48 Cb 0.33 -2.77 -0.10 0.00 -0.02 0.00 0.00 35.03 32.47 2zol n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2zol s VAL 49 N -0.20 5.23 -0.16 -0.18 1.01 -1.26 -4.81 120.40 120.03 2zol s VAL 49 Ca 0.36 -0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.99 2zol s VAL 49 Cb -0.04 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 2zol s VAL 49 CO -0.02 -0.03 1.21 -1.61 0.00 0.00 0.00 175.10 174.65 2zol s GLU 50 N 1.86 4.26 -0.15 2.72 0.41 -0.77 -4.92 118.70 122.10 2zol s GLU 50 Ca 0.09 1.60 -0.07 0.00 -0.41 0.00 0.00 54.97 56.18 2zol s GLU 50 Cb -0.17 -3.71 -0.04 0.00 -1.78 0.00 0.00 34.13 28.43 2zol s GLU 50 CO 0.11 -0.65 0.09 -1.64 -0.49 0.00 0.00 175.26 172.68 2zol s MET 51 N 3.23 3.73 0.80 1.61 -1.94 -1.26 -1.42 119.30 124.06 2zol s MET 51 Ca 0.53 -0.26 -0.12 0.00 -1.71 0.00 0.00 55.69 54.13 2zol s MET 51 Cb -0.21 -3.19 0.07 0.00 2.01 0.00 0.00 34.83 33.51 2zol s MET 51 CO 0.14 0.49 1.12 -1.54 -0.01 0.00 0.00 175.02 175.22 2zol s SER 52 N -0.22 4.48 0.53 3.03 1.04 -0.48 -5.03 113.70 117.05 2zol s SER 52 Ca 0.09 1.11 -0.17 0.00 0.48 0.00 0.00 55.95 57.47 2zol s SER 52 Cb -0.12 -1.79 -0.07 0.00 0.10 0.00 0.00 66.02 64.14 2zol s SER 52 CO 0.01 -1.95 1.00 -1.81 0.98 0.00 0.00 173.24 171.46 2zol s ASP 53 N -4.13 6.49 0.31 7.02 1.01 -1.26 -4.76 116.67 121.35 2zol s ASP 53 Ca 0.61 1.62 -0.29 0.00 0.71 0.00 0.00 52.55 55.20 2zol s ASP 53 Cb -0.13 -2.51 -0.10 0.00 1.01 0.00 0.00 42.92 41.18 2zol s ASP 53 CO 0.53 -0.68 1.41 -0.04 0.21 0.00 0.00 175.17 176.59 2zol s MET 54 N -4.04 4.26 0.24 8.23 -1.94 -1.26 -4.85 119.30 119.95 2zol s MET 54 Ca 0.60 2.34 -0.01 0.00 -1.71 0.00 0.00 55.69 56.91 2zol s MET 54 Cb -0.11 -3.06 -0.03 0.00 2.01 0.00 0.00 34.83 33.64 2zol s MET 54 CO 0.32 -0.36 0.23 -1.12 -0.01 0.00 0.00 175.02 174.07 2zol s SER 55 N -0.08 0.46 0.06 3.03 0.01 -1.17 -5.05 113.70 110.96 2zol s SER 55 Ca 0.54 -1.41 -0.08 0.00 1.31 0.00 0.00 55.95 56.31 2zol s SER 55 Cb -0.42 0.46 -0.00 0.00 0.21 0.00 0.00 66.02 66.26 2zol s SER 55 CO 0.52 -0.95 0.17 0.72 0.41 0.00 0.00 173.24 174.11 2zol s PHE 56 N -3.93 0.13 0.58 2.43 -0.12 -1.26 -1.44 117.98 114.36 2zol s PHE 56 Ca 0.37 -0.45 0.02 0.00 -0.05 0.00 0.00 56.93 56.82 2zol s PHE 56 Cb 0.05 -0.07 0.05 0.00 -0.63 0.00 0.00 43.02 42.42 2zol s PHE 56 CO 0.15 -0.46 0.80 -1.12 -0.05 0.00 0.00 175.22 174.54 2zol s SER 57 N -2.42 5.10 0.12 1.98 0.01 -0.25 -4.96 113.70 113.29 2zol s SER 57 Ca -0.01 -0.19 0.10 0.00 1.31 0.00 0.00 55.95 57.17 2zol s SER 57 Cb 0.02 -0.59 0.53 0.00 0.21 0.00 0.00 66.02 66.19 2zol s SER 57 CO -0.07 -1.27 1.32 2.29 0.41 0.00 0.00 173.24 175.92 2zol n LYS 58 N -2.39 0.06 -0.23 12.44 2.85 -1.26 -0.58 118.16 129.06 2zol n LYS 58 Ca 0.10 0.51 0.09 0.00 -1.05 0.00 0.00 58.31 57.96 2zol n LYS 58 Cb 0.60 -1.68 0.25 0.00 -0.65 0.00 0.00 35.03 33.55 2zol n LYS 58 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2zol n ASP 59 N -1.80 2.70 0.00 -5.58 5.75 -1.26 -4.95 116.55 111.40 2zol n ASP 59 Ca 0.00 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 2zol n ASP 59 Cb 0.05 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 2zol n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2zol n TRP 60 N 0.98 0.00 -2.24 2.11 7.02 0.26 -5.02 117.44 120.54 2zol n TRP 60 Ca 0.17 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.28 2zol n TRP 60 Cb 0.44 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.33 2zol n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2zol s SER 61 N -0.69 6.12 0.46 -0.99 1.04 -1.26 -4.65 113.70 113.73 2zol s SER 61 Ca 0.00 2.32 -0.06 0.00 0.48 0.00 0.00 55.95 58.70 2zol s SER 61 Cb 0.00 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.48 2zol s SER 61 CO 0.00 -0.95 0.77 -0.36 0.98 0.00 0.00 173.24 173.68 2zol s PHE 62 N -1.54 3.55 0.02 5.02 0.40 -0.63 -1.09 117.98 123.71 2zol s PHE 62 Ca 0.64 0.82 -0.14 0.00 -0.60 0.00 0.00 56.93 57.65 2zol s PHE 62 Cb -0.29 -2.30 0.02 0.00 0.51 0.00 0.00 43.02 40.96 2zol s PHE 62 CO 0.35 -0.23 0.30 1.52 0.70 0.00 0.00 175.22 177.86 2zol s TYR 63 N -2.67 -0.13 -0.09 0.36 1.13 -0.52 -2.37 117.35 113.06 2zol s TYR 63 Ca 0.47 0.10 -0.20 0.00 -1.41 0.00 0.00 57.07 56.04 2zol s TYR 63 Cb -0.10 0.09 0.04 0.00 -1.10 0.00 0.00 41.96 40.89 2zol s TYR 63 CO 0.43 -0.45 0.47 -1.50 -2.51 0.00 0.00 175.55 171.99 2zol s ILE 64 N -1.96 0.02 -0.23 -3.49 2.07 -0.25 -3.02 121.20 114.33 2zol s ILE 64 Ca -0.09 -0.18 -0.03 0.00 -1.41 0.00 0.00 60.65 58.94 2zol s ILE 64 Cb -0.03 -0.74 0.00 0.00 0.13 0.00 0.00 42.46 41.83 2zol s ILE 64 CO 0.00 -0.10 -0.05 -0.22 -1.91 0.00 0.00 174.94 172.67 2zol s LEU 65 N -0.69 2.99 -0.13 8.50 2.96 -1.26 -1.29 118.68 129.76 2zol s LEU 65 Ca -0.08 -0.55 -0.07 0.00 -0.22 0.00 0.00 54.13 53.21 2zol s LEU 65 Cb -0.03 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 2zol s LEU 65 CO 0.04 -0.06 0.11 0.00 -1.32 0.00 0.00 176.35 175.12 2zol s ALA 66 N 1.43 3.72 -0.04 5.97 0.00 0.00 -1.38 121.76 131.47 2zol s ALA 66 Ca 0.04 -0.68 -0.11 0.00 0.00 0.00 0.00 51.96 51.21 2zol s ALA 66 Cb -0.15 -1.92 0.02 0.00 0.00 0.00 0.00 23.12 21.07 2zol s ALA 66 CO -0.04 0.51 0.25 -3.38 0.00 0.00 0.00 175.76 173.10 2zol s HIS 67 N -0.68 -0.16 0.02 0.00 -3.43 -0.51 0.54 115.29 111.09 2zol s HIS 67 Ca 0.13 0.30 -0.00 0.00 -0.80 0.00 0.00 55.06 54.69 2zol s HIS 67 Cb -0.12 0.06 -0.02 0.00 -1.43 0.00 0.00 32.58 31.07 2zol s HIS 67 CO 0.02 -0.29 -0.03 -0.08 -2.00 0.00 0.00 174.74 172.37 2zol s THR 68 N -0.88 0.13 0.33 -5.38 -1.32 -0.86 -1.85 115.64 105.80 2zol s THR 68 Ca -0.10 -1.05 -0.29 0.00 -1.21 0.00 0.00 61.69 59.05 2zol s THR 68 Cb -0.05 -0.46 -0.10 0.00 -1.51 0.00 0.00 72.50 70.38 2zol s THR 68 CO 0.02 -0.58 1.36 -1.61 -2.21 0.00 0.00 174.62 171.61 2zol s GLU 69 N -1.85 4.29 -0.14 7.08 0.41 -1.26 -1.69 118.70 125.54 2zol s GLU 69 Ca -0.12 2.31 -0.26 0.00 -0.41 0.00 0.00 54.97 56.48 2zol s GLU 69 Cb -0.07 -3.05 0.06 0.00 -1.78 0.00 0.00 34.13 29.29 2zol s GLU 69 CO -0.02 -0.29 0.65 -0.59 -0.49 0.00 0.00 175.26 174.52 2zol s PHE 70 N -1.00 -0.66 -0.36 1.61 -0.71 -0.89 -4.88 117.98 111.08 2zol s PHE 70 Ca 0.51 1.38 -0.00 0.00 -1.04 0.00 0.00 56.93 57.78 2zol s PHE 70 Cb -0.41 0.32 0.10 0.00 -1.21 0.00 0.00 43.02 41.81 2zol s PHE 70 CO 0.54 -0.48 0.11 0.99 -1.34 0.00 0.00 175.22 175.04 2zol s THR 71 N -0.49 2.88 0.49 -4.49 2.01 -1.26 -0.38 115.64 114.40 2zol s THR 71 Ca -0.06 -2.03 -0.22 0.00 0.31 0.00 0.00 61.69 59.69 2zol s THR 71 Cb -0.02 -2.96 -0.07 0.00 0.01 0.00 0.00 72.50 69.46 2zol s THR 71 CO 0.05 -0.55 1.18 -2.16 -0.69 0.00 0.00 174.62 172.46 2zol s PRO 72 N 1.08 3.59 0.28 4.92 0.04 -1.26 -4.81 135.00 138.84 2zol s PRO 72 Ca 0.06 1.80 0.03 0.00 0.04 0.00 0.00 61.00 62.93 2zol s PRO 72 Cb -0.21 -2.30 -0.06 0.00 0.04 0.00 0.00 34.50 31.97 2zol s PRO 72 CO -0.05 -0.70 0.06 0.95 0.04 0.00 0.00 177.00 177.30 2zol s THR 73 N -1.56 0.90 0.44 1.26 -4.23 -1.26 -1.32 115.64 109.88 2zol s THR 73 Ca 0.67 -2.01 0.34 0.00 -1.18 0.00 0.00 61.69 59.51 2zol s THR 73 Cb -0.29 -2.66 0.36 0.00 1.34 0.00 0.00 72.50 71.26 2zol s THR 73 CO 0.35 -0.05 2.16 1.05 -0.54 0.00 0.00 174.62 177.58 2zol h GLU 74 N 2.28 0.00 0.03 3.99 4.11 -1.98 -3.24 114.58 119.78 2zol h GLU 74 Ca -0.39 0.00 -0.37 0.00 0.07 0.00 0.00 59.36 58.66 2zol h GLU 74 Cb 1.24 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.44 2zol h GLU 74 CO 0.65 0.05 -2.28 0.25 0.07 0.00 0.00 179.01 177.75 2zol n THR 75 N -3.39 1.56 -2.46 -1.06 -2.24 -1.26 -4.98 114.28 100.45 2zol n THR 75 Ca -0.02 -0.66 -0.41 0.00 -2.27 0.00 0.00 64.05 60.70 2zol n THR 75 Cb 0.19 -1.30 -0.04 0.00 -2.10 0.00 0.00 70.33 67.08 2zol n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2zol s ASP 76 N -6.44 7.23 0.20 3.42 1.11 -1.22 -5.06 116.67 115.90 2zol s ASP 76 Ca -0.25 2.21 0.07 0.00 0.18 0.00 0.00 52.55 54.76 2zol s ASP 76 Cb 0.08 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.41 2zol s ASP 76 CO 0.70 -0.22 0.10 0.42 1.18 0.00 0.00 175.17 177.35 2zol s THR 77 N -0.67 4.17 0.02 -1.27 -4.23 -1.26 -4.69 115.64 107.72 2zol s THR 77 Ca 0.48 -1.34 0.02 0.00 -1.18 0.00 0.00 61.69 59.67 2zol s THR 77 Cb -0.31 -3.16 -0.02 0.00 1.34 0.00 0.00 72.50 70.35 2zol s THR 77 CO 0.38 -0.20 -0.07 -0.31 -0.54 0.00 0.00 174.62 173.89 2zol s TYR 78 N -1.90 0.59 0.13 3.99 1.51 -1.26 -1.63 117.35 118.77 2zol s TYR 78 Ca 0.31 -0.34 -0.10 0.00 -1.01 0.00 0.00 57.07 55.92 2zol s TYR 78 Cb -0.09 -0.36 0.00 0.00 -0.11 0.00 0.00 41.96 41.40 2zol s TYR 78 CO 0.22 -0.06 0.28 0.00 -1.11 0.00 0.00 175.55 174.88 2zol s ALA 79 N -0.90 -0.26 -0.11 3.71 0.00 -0.20 -0.19 121.76 123.80 2zol s ALA 79 Ca -0.05 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.28 2zol s ALA 79 Cb -0.07 0.69 0.01 0.00 0.00 0.00 0.00 23.12 23.76 2zol s ALA 79 CO 0.00 -0.60 -0.16 0.00 0.00 0.00 0.00 175.76 175.00 2zol s ARG 81 N 0.97 3.77 -0.14 0.00 3.52 0.11 -2.34 118.95 124.84 2zol s ARG 81 Ca -0.06 -0.44 0.02 0.00 -0.13 0.00 0.00 55.73 55.12 2zol s ARG 81 Cb -0.15 -3.22 0.01 0.00 -1.56 0.00 0.00 34.95 30.03 2zol s ARG 81 CO -0.02 0.04 -0.21 0.08 -0.81 0.00 0.00 175.30 174.38 2zol s VAL 82 N 0.98 2.11 -0.17 7.11 1.01 -0.44 -0.45 120.40 130.54 2zol s VAL 82 Ca 0.03 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 2zol s VAL 82 Cb -0.14 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 2zol s VAL 82 CO 0.03 0.55 -0.10 -0.54 0.00 0.00 0.00 175.10 175.03 2zol s LYS 83 N 0.81 3.33 0.01 2.72 1.02 0.95 -2.05 119.74 126.54 2zol s LYS 83 Ca -0.07 -0.68 -0.12 0.00 0.02 0.00 0.00 55.97 55.12 2zol s LYS 83 Cb -0.16 -2.78 0.01 0.00 -0.52 0.00 0.00 37.83 34.39 2zol s LYS 83 CO -0.02 -0.01 0.25 -1.58 -0.92 0.00 0.00 175.35 173.07 2zol s HIS 84 N 0.92 -0.08 0.61 3.18 2.46 -1.26 -1.07 115.29 120.06 2zol s HIS 84 Ca -0.02 0.04 0.31 0.00 0.47 0.00 0.00 55.06 55.87 2zol s HIS 84 Cb -0.15 0.04 1.77 0.00 -0.13 0.00 0.00 32.58 34.11 2zol s HIS 84 CO -0.00 -0.38 2.11 -0.44 -2.47 0.00 0.00 174.74 173.55 2zol h ASP 85 N 3.83 0.00 1.51 9.88 3.32 -1.93 -2.11 116.42 130.93 2zol h ASP 85 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2zol h ASP 85 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2zol h ASP 85 CO 0.42 0.00 -0.22 0.77 -1.72 0.00 0.00 179.24 178.49 2zol h SER 86 N 0.00 0.00 -3.34 6.45 4.64 -1.87 -3.45 113.55 115.98 2zol h SER 86 Ca 0.06 -0.03 -0.65 0.00 -0.47 0.00 0.00 61.79 60.70 2zol h SER 86 Cb 0.47 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.35 2zol h SER 86 CO -0.00 0.02 -0.66 -0.04 -0.87 0.00 0.00 176.83 175.28 2zol s MET 87 N -3.18 3.52 0.10 4.77 -1.94 -0.79 -4.90 119.30 116.87 2zol s MET 87 Ca 0.07 -0.50 -0.22 0.00 -1.71 0.00 0.00 55.69 53.34 2zol s MET 87 Cb 0.10 -2.88 -0.12 0.00 2.01 0.00 0.00 34.83 33.94 2zol s MET 87 CO 0.67 0.34 1.72 0.00 -0.01 0.00 0.00 175.02 177.74 2zol h ALA 88 N 6.37 0.11 -3.24 3.03 0.00 -1.88 -3.44 119.26 120.23 2zol h ALA 88 Ca -0.35 -0.03 -0.66 0.00 0.00 0.00 0.00 54.91 53.87 2zol h ALA 88 Cb 1.19 -0.04 -0.19 0.00 0.00 0.00 0.00 17.79 18.76 2zol h ALA 88 CO 0.61 -0.37 -0.82 -1.21 0.00 0.00 0.00 179.25 177.46 2zol s GLU 89 N -6.04 1.55 0.25 0.00 8.01 -1.26 -5.10 118.70 116.11 2zol s GLU 89 Ca -0.13 -1.49 -0.31 0.00 0.01 0.00 0.00 54.97 53.04 2zol s GLU 89 Cb 0.07 -1.87 -0.12 0.00 -4.31 0.00 0.00 34.13 27.89 2zol s GLU 89 CO 0.68 0.41 1.56 -2.30 0.01 0.00 0.00 175.26 175.61 2zol n PRO 90 N 0.30 2.45 -3.53 0.39 -0.02 -1.26 -4.94 135.00 128.39 2zol n PRO 90 Ca -0.13 0.87 -0.36 0.00 -2.02 0.00 0.00 63.50 61.86 2zol n PRO 90 Cb 0.56 -2.63 -0.07 0.00 -0.02 0.00 0.00 33.50 31.34 2zol n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2zol s LYS 91 N -0.06 4.25 -0.14 -0.52 2.20 -0.87 -4.91 119.74 119.69 2zol s LYS 91 Ca 0.69 0.09 0.01 0.00 -0.36 0.00 0.00 55.97 56.39 2zol s LYS 91 Cb -0.57 -3.44 -0.00 0.00 -1.51 0.00 0.00 37.83 32.32 2zol s LYS 91 CO 0.45 0.21 -0.17 0.99 -0.36 0.00 0.00 175.35 176.47 2zol s THR 92 N 0.55 2.55 -0.13 3.43 2.01 -1.26 -1.33 115.64 121.45 2zol s THR 92 Ca 0.16 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.36 2zol s THR 92 Cb -0.13 -2.05 0.01 0.00 0.01 0.00 0.00 72.50 70.34 2zol s THR 92 CO 0.04 0.53 -0.19 0.54 -0.69 0.00 0.00 174.62 174.85 2zol s VAL 93 N 0.65 1.83 0.33 3.82 0.11 -0.99 -4.97 120.40 121.18 2zol s VAL 93 Ca -0.09 -0.84 -0.17 0.00 -2.93 0.00 0.00 61.98 57.95 2zol s VAL 93 Cb -0.16 -1.64 -0.09 0.00 -1.53 0.00 0.00 36.38 32.96 2zol s VAL 93 CO 0.02 0.50 0.79 -0.31 -3.33 0.00 0.00 175.10 172.78 2zol s TYR 94 N 0.92 3.41 0.06 1.54 1.51 -1.26 -2.41 117.35 121.11 2zol s TYR 94 Ca -0.06 1.35 -0.31 0.00 -1.01 0.00 0.00 57.07 57.04 2zol s TYR 94 Cb -0.15 -2.63 -0.07 0.00 -0.11 0.00 0.00 41.96 39.00 2zol s TYR 94 CO -0.02 0.08 1.41 -0.46 -1.11 0.00 0.00 175.55 175.45 2zol s TRP 95 N -1.95 3.01 -0.21 2.71 -0.00 0.73 -4.88 118.94 118.34 2zol s TRP 95 Ca 0.54 0.86 -0.00 0.00 -0.00 0.00 0.00 56.10 57.50 2zol s TRP 95 Cb -0.11 -3.68 0.02 0.00 -0.00 0.00 0.00 33.47 29.70 2zol s TRP 95 CO 0.17 -2.47 -0.13 0.34 -0.00 0.00 0.00 176.95 174.86 2zol s ASP 96 N 1.56 3.75 0.50 5.86 -1.08 -1.26 -4.76 116.67 121.24 2zol s ASP 96 Ca 0.65 -0.73 0.22 0.00 -0.52 0.00 0.00 52.55 52.17 2zol s ASP 96 Cb -0.34 -1.58 1.29 0.00 -1.46 0.00 0.00 42.92 40.83 2zol s ASP 96 CO 0.29 -0.05 1.98 0.03 0.52 0.00 0.00 175.17 177.93 2zol h ARG 97 N 7.97 0.12 -0.01 4.34 3.08 -1.95 -1.70 114.38 126.24 2zol h ARG 97 Ca -0.39 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.65 2zol h ARG 97 Cb 1.13 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.15 2zol h ARG 97 CO 0.60 0.08 -0.07 -0.25 -1.07 0.00 0.00 179.97 179.25 2zol n ASP 98 N -4.41 0.82 0.00 7.04 8.00 -1.26 -4.94 116.55 121.80 2zol n ASP 98 Ca 0.11 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.59 2zol n ASP 98 Cb 0.57 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 2zol n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04