#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 2.80 0.05 -1.09 1.02 0.93 -4.93 119.74 118.52 2zol s LYS 3 Ca 0.00 -0.89 -0.30 0.00 0.02 0.00 0.00 55.97 54.80 2zol s LYS 3 Cb 0.00 -2.22 -0.05 0.00 -0.52 0.00 0.00 37.83 35.04 2zol s LYS 3 CO 0.00 0.27 1.13 0.95 -0.92 0.00 0.00 175.35 176.78 2zol s THR 4 N 0.11 4.27 0.46 2.17 -4.23 -1.26 -2.74 115.64 114.43 2zol s THR 4 Ca -0.12 1.64 -0.25 0.00 -1.18 0.00 0.00 61.69 61.79 2zol s THR 4 Cb -0.16 -4.05 -0.08 0.00 1.34 0.00 0.00 72.50 69.55 2zol s THR 4 CO 0.07 0.13 1.38 -2.65 -0.54 0.00 0.00 174.62 173.01 2zol n PRO 5 N 3.85 2.08 -4.19 3.99 -0.02 -1.26 -4.49 135.00 134.97 2zol n PRO 5 Ca 0.08 0.74 -0.35 0.00 -2.02 0.00 0.00 63.50 61.95 2zol n PRO 5 Cb 0.48 -2.57 -0.09 0.00 -0.02 0.00 0.00 33.50 31.29 2zol n PRO 5 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2zol s GLN 6 N -2.48 3.46 -0.01 -0.52 -1.52 0.11 -4.92 119.66 113.78 2zol s GLN 6 Ca 0.63 -0.36 0.08 0.00 -1.95 0.00 0.00 55.36 53.76 2zol s GLN 6 Cb -0.45 -3.00 -0.02 0.00 -0.22 0.00 0.00 33.01 29.31 2zol s GLN 6 CO 0.56 0.52 -0.25 0.42 -0.25 0.00 0.00 175.29 176.29 2zol s ILE 7 N -0.35 2.13 -0.08 1.08 1.01 -1.26 -0.98 121.20 122.74 2zol s ILE 7 Ca 0.08 -1.12 -0.00 0.00 0.00 0.00 0.00 60.65 59.61 2zol s ILE 7 Cb -0.12 -1.75 0.02 0.00 0.01 0.00 0.00 42.46 40.62 2zol s ILE 7 CO 0.02 0.55 -0.05 -1.10 0.00 0.00 0.00 174.94 174.36 2zol s GLN 8 N -0.70 1.13 -0.18 2.79 -0.21 -0.91 -4.99 119.66 116.59 2zol s GLN 8 Ca 0.10 -0.12 -0.04 0.00 0.02 0.00 0.00 55.36 55.31 2zol s GLN 8 Cb -0.10 -1.25 -0.03 0.00 1.00 0.00 0.00 33.01 32.64 2zol s GLN 8 CO -0.00 -0.22 -0.02 0.08 -2.12 0.00 0.00 175.29 173.01 2zol s VAL 9 N 1.57 3.95 0.01 1.09 1.01 -1.26 -1.28 120.40 125.48 2zol s VAL 9 Ca 0.01 -0.33 -0.28 0.00 0.00 0.00 0.00 61.98 61.37 2zol s VAL 9 Cb -0.13 -2.75 0.10 0.00 0.00 0.00 0.00 36.38 33.60 2zol s VAL 9 CO -0.05 0.46 0.87 -0.72 0.00 0.00 0.00 175.10 175.67 2zol s TYR 10 N 0.64 -0.35 0.22 5.22 1.13 -0.82 -4.55 117.35 118.84 2zol s TYR 10 Ca -0.01 0.21 -0.04 0.00 -1.41 0.00 0.00 57.07 55.82 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 -0.56 0.46 -1.54 -2.51 0.00 0.00 175.55 171.42 2zol s SER 11 N -2.50 6.45 0.16 -0.18 1.04 -1.26 0.57 113.70 117.98 2zol s SER 11 Ca 0.05 0.60 -0.12 0.00 0.48 0.00 0.00 55.95 56.96 2zol s SER 11 Cb -0.01 -2.09 0.03 0.00 0.10 0.00 0.00 66.02 64.05 2zol s SER 11 CO -0.09 -0.08 1.63 -0.09 0.98 0.00 0.00 173.24 175.59 2zol h ARG 12 N 2.13 0.89 -6.28 4.02 2.43 -0.98 -3.45 114.38 113.15 2zol h ARG 12 Ca -0.47 -0.25 -0.60 0.00 -0.81 0.00 0.00 59.98 57.85 2zol h ARG 12 Cb 1.18 -0.10 -0.13 0.00 -0.42 0.00 0.00 29.97 30.51 2zol h ARG 12 CO 0.69 0.89 -0.72 -1.01 -1.51 0.00 0.00 179.97 178.30 2zol s HIS 13 N -5.13 2.49 0.22 2.20 3.76 -1.26 -5.05 115.29 112.52 2zol s HIS 13 Ca -0.12 -0.28 -0.32 0.00 -0.15 0.00 0.00 55.06 54.19 2zol s HIS 13 Cb 0.12 -1.12 -0.12 0.00 1.11 0.00 0.00 32.58 32.56 2zol s HIS 13 CO 0.82 0.63 1.63 -2.30 -0.85 0.00 0.00 174.74 174.68 2zol n PRO 14 N -0.55 2.55 -2.82 8.40 -0.02 -1.26 -4.91 135.00 136.39 2zol n PRO 14 Ca -0.07 0.92 -0.40 0.00 -2.02 0.00 0.00 63.50 61.92 2zol n PRO 14 Cb 0.59 -2.71 -0.05 0.00 -0.02 0.00 0.00 33.50 31.30 2zol n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2zol s PRO 15 N 0.58 4.70 -0.08 0.52 0.04 -1.26 -5.05 135.00 134.45 2zol s PRO 15 Ca 0.73 1.36 0.01 0.00 0.04 0.00 0.00 61.00 63.13 2zol s PRO 15 Cb -0.56 -3.32 0.02 0.00 0.04 0.00 0.00 34.50 30.68 2zol s PRO 15 CO 0.39 0.40 -0.08 -1.21 0.04 0.00 0.00 177.00 176.53 2zol s GLU 16 N -0.65 1.41 0.01 4.56 2.02 -1.26 -5.11 118.70 119.68 2zol s GLU 16 Ca 0.42 -0.27 -0.36 0.00 0.02 0.00 0.00 54.97 54.77 2zol s GLU 16 Cb -0.24 -1.33 -0.15 0.00 0.10 0.00 0.00 34.13 32.51 2zol s GLU 16 CO 0.29 -0.11 1.57 0.09 0.02 0.00 0.00 175.26 177.12 2zol n ASN 17 N 4.31 2.48 0.00 -0.19 4.13 -1.26 -1.35 115.26 123.38 2zol n ASN 17 Ca -0.19 1.08 0.00 0.00 1.68 0.00 0.00 54.58 57.15 2zol n ASN 17 Cb 0.51 -1.28 0.00 0.00 -1.54 0.00 0.00 39.78 37.47 2zol n ASN 17 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2zol n GLY 18 N 3.39 3.04 3.74 7.41 0.00 -0.42 -5.01 105.19 117.33 2zol n GLY 18 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.74 4.30 0.43 1.61 3.01 -0.46 -4.95 119.74 122.94 2zol s LYS 19 Ca 0.00 0.55 -0.26 0.00 -1.01 0.00 0.00 55.97 55.25 2zol s LYS 19 Cb 0.00 -3.39 -0.09 0.00 -1.01 0.00 0.00 37.83 33.35 2zol s LYS 19 CO 0.00 0.26 1.39 -1.25 0.51 0.00 0.00 175.35 176.27 2zol s PRO 20 N 0.24 3.80 0.22 -1.68 0.04 -1.26 -4.17 135.00 132.19 2zol s PRO 20 Ca 0.28 2.35 -0.02 0.00 0.04 0.00 0.00 61.00 63.65 2zol s PRO 20 Cb -0.16 -2.71 0.01 0.00 0.04 0.00 0.00 34.50 31.68 2zol s PRO 20 CO 0.13 -0.70 0.32 -1.71 0.04 0.00 0.00 177.00 175.08 2zol n ASN 21 N -0.05 -0.88 -4.13 6.66 2.85 0.37 -4.98 115.26 115.10 2zol n ASN 21 Ca 0.04 -2.16 -0.30 0.00 -0.11 0.00 0.00 54.58 52.06 2zol n ASN 21 Cb 0.42 1.63 -0.17 0.00 1.24 0.00 0.00 39.78 42.90 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 -2.65 1.74 -0.23 -1.44 -1.09 -1.26 -2.23 121.20 114.04 2zol s ILE 22 Ca 0.17 -0.81 -0.09 0.00 -2.23 0.00 0.00 60.65 57.69 2zol s ILE 22 Cb -0.01 -1.54 -0.04 0.00 -1.58 0.00 0.00 42.46 39.29 2zol s ILE 22 CO 0.12 0.49 0.12 -0.22 -1.23 0.00 0.00 174.94 174.23 2zol s LEU 23 N 0.68 3.95 -0.03 2.97 2.96 -0.68 -0.21 118.68 128.32 2zol s LEU 23 Ca -0.12 0.06 -0.00 0.00 -0.22 0.00 0.00 54.13 53.85 2zol s LEU 23 Cb -0.16 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 2zol s LEU 23 CO 0.03 0.08 0.01 0.20 -1.32 0.00 0.00 176.35 175.35 2zol s ASN 24 N 0.97 5.25 -0.26 3.68 0.01 0.19 -2.08 114.94 122.71 2zol s ASN 24 Ca 0.06 0.08 0.02 0.00 -0.71 0.00 0.00 52.86 52.31 2zol s ASN 24 Cb -0.13 -1.44 0.07 0.00 0.41 0.00 0.00 41.25 40.15 2zol s ASN 24 CO 0.03 0.32 -0.06 0.00 -1.51 0.00 0.00 177.10 175.88 2zol s TYR 26 N 1.24 3.32 -0.18 0.00 5.04 -0.40 -0.86 117.35 125.50 2zol s TYR 26 Ca -0.05 -1.40 -0.08 0.00 -2.44 0.00 0.00 57.07 53.11 2zol s TYR 26 Cb -0.19 -3.02 -0.04 0.00 0.35 0.00 0.00 41.96 39.05 2zol s TYR 26 CO -0.07 -0.84 0.07 0.08 -1.34 0.00 0.00 175.55 173.46 2zol s VAL 27 N 1.47 4.89 0.09 3.14 1.01 -0.40 -2.15 120.40 128.46 2zol s VAL 27 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.98 2zol s VAL 27 Cb -0.23 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 2zol s VAL 27 CO 0.03 0.46 0.07 -0.89 0.00 0.00 0.00 175.10 174.77 2zol s THR 28 N 0.31 0.16 -1.60 3.92 2.01 -0.15 -1.04 115.64 119.24 2zol s THR 28 Ca 0.04 -1.68 -0.00 0.00 0.31 0.00 0.00 61.69 60.36 2zol s THR 28 Cb -0.12 -1.67 0.00 0.00 0.01 0.00 0.00 72.50 70.72 2zol s THR 28 CO -0.00 -0.71 0.03 0.00 -0.69 0.00 0.00 174.62 173.25 2zol n GLN 29 N -0.01 -1.67 -4.19 4.92 3.00 -0.94 0.10 117.38 118.59 2zol n GLN 29 Ca -0.11 0.91 -0.26 0.00 -0.01 0.00 0.00 57.00 57.53 2zol n GLN 29 Cb 0.62 -5.46 -0.07 0.00 0.00 0.00 0.00 30.24 25.33 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 -2.95 2.90 -0.28 1.08 -0.12 -1.19 -4.27 117.98 113.16 2zol s PHE 30 Ca 0.02 -0.13 -0.23 0.00 -0.05 0.00 0.00 56.93 56.54 2zol s PHE 30 Cb -0.01 -1.38 0.10 0.00 -0.63 0.00 0.00 43.02 41.10 2zol s PHE 30 CO 0.02 0.53 0.86 -1.58 -0.05 0.00 0.00 175.22 175.00 2zol s HIS 31 N -1.85 -0.68 1.03 3.49 2.46 -1.11 -1.65 115.29 116.98 2zol s HIS 31 Ca 0.29 1.60 -0.13 0.00 0.47 0.00 0.00 55.06 57.29 2zol s HIS 31 Cb -0.09 0.35 0.21 0.00 -0.13 0.00 0.00 32.58 32.92 2zol s HIS 31 CO 0.20 -0.33 1.08 -1.25 -2.47 0.00 0.00 174.74 171.97 2zol s PRO 32 N 0.53 0.15 0.32 2.88 0.04 -1.26 -0.05 135.00 137.61 2zol s PRO 32 Ca -0.01 0.55 0.02 0.00 0.04 0.00 0.00 61.00 61.60 2zol s PRO 32 Cb -0.05 -1.70 0.58 0.00 0.04 0.00 0.00 34.50 33.37 2zol s PRO 32 CO -0.05 -2.93 1.94 -1.35 0.04 0.00 0.00 177.00 174.64 2zol h PRO 33 N -2.04 0.93 -6.50 0.56 0.11 -2.00 -3.44 132.00 119.62 2zol h PRO 33 Ca -0.56 -0.06 -0.53 0.00 0.11 0.00 0.00 66.00 64.97 2zol h PRO 33 Cb 1.33 -0.21 0.03 0.00 0.11 0.00 0.00 31.00 32.27 2zol h PRO 33 CO 0.57 0.61 1.03 -1.58 -0.21 0.00 0.00 178.00 178.42 2zol s HIS 34 N -5.83 2.41 0.00 0.65 5.65 -1.26 -4.98 115.29 111.92 2zol s HIS 34 Ca -0.11 0.22 -0.16 0.00 0.25 0.00 0.00 55.06 55.27 2zol s HIS 34 Cb 0.19 -4.05 0.03 0.00 -1.18 0.00 0.00 32.58 27.57 2zol s HIS 34 CO 0.79 -4.22 0.33 -1.50 -0.65 0.00 0.00 174.74 169.49 2zol s ILE 35 N 2.45 0.06 -0.13 0.89 2.07 -1.26 -4.63 121.20 120.64 2zol s ILE 35 Ca 0.76 -0.51 0.01 0.00 -1.41 0.00 0.00 60.65 59.51 2zol s ILE 35 Cb -0.43 -0.75 0.02 0.00 0.13 0.00 0.00 42.46 41.43 2zol s ILE 35 CO 0.34 -0.28 -0.17 -1.61 -1.91 0.00 0.00 174.94 171.31 2zol s GLU 36 N -1.75 2.46 -0.09 3.50 2.02 -0.14 -5.00 118.70 119.71 2zol s GLU 36 Ca -0.10 -0.64 0.02 0.00 0.02 0.00 0.00 54.97 54.27 2zol s GLU 36 Cb -0.03 -2.11 0.01 0.00 0.10 0.00 0.00 34.13 32.10 2zol s GLU 36 CO 0.02 -0.11 -0.16 0.42 0.02 0.00 0.00 175.26 175.45 2zol s ILE 37 N 1.10 1.48 0.16 -1.63 1.01 -1.26 -0.09 121.20 121.97 2zol s ILE 37 Ca -0.03 -0.66 0.09 0.00 0.00 0.00 0.00 60.65 60.05 2zol s ILE 37 Cb -0.14 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 2zol s ILE 37 CO -0.05 0.43 -0.20 -1.10 0.00 0.00 0.00 174.94 174.02 2zol s GLN 38 N 0.70 1.32 -0.07 2.79 -0.21 0.43 -4.98 119.66 119.64 2zol s GLN 38 Ca -0.13 -1.40 0.03 0.00 0.02 0.00 0.00 55.36 53.88 2zol s GLN 38 Cb -0.16 -1.48 0.01 0.00 1.00 0.00 0.00 33.01 32.38 2zol s GLN 38 CO 0.03 0.31 -0.15 -1.64 -2.12 0.00 0.00 175.29 171.72 2zol s MET 39 N -2.62 1.99 -0.07 2.91 -1.94 -1.26 0.21 119.30 118.52 2zol s MET 39 Ca 0.16 -0.53 0.03 0.00 -1.71 0.00 0.00 55.69 53.63 2zol s MET 39 Cb -0.07 -1.61 -0.02 0.00 2.01 0.00 0.00 34.83 35.14 2zol s MET 39 CO 0.07 0.09 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.50 2zol s LEU 40 N 0.52 2.62 -0.26 -0.03 1.43 0.44 -0.19 118.68 123.21 2zol s LEU 40 Ca -0.14 -0.28 -0.07 0.00 -1.03 0.00 0.00 54.13 52.61 2zol s LEU 40 Cb -0.16 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 2zol s LEU 40 CO 0.05 0.28 0.07 -0.75 0.23 0.00 0.00 176.35 176.22 2zol s LYS 41 N -0.34 3.54 -1.95 1.70 2.20 0.20 -1.18 119.74 123.90 2zol s LYS 41 Ca 0.03 -0.55 0.00 0.00 -0.36 0.00 0.00 55.97 55.09 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 0.02 -0.24 0.00 0.09 -0.36 0.00 0.00 175.35 174.87 2zol n ASN 42 N 4.91 -4.87 0.00 1.43 3.02 -0.54 -1.35 115.26 117.87 2zol n ASN 42 Ca -0.16 0.45 0.00 0.00 -0.03 0.00 0.00 54.58 54.84 2zol n ASN 42 Cb 0.51 -4.35 0.00 0.00 -0.61 0.00 0.00 39.78 35.33 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 -0.35 0.32 3.56 7.41 0.00 -1.26 -5.03 105.19 109.84 2zol n GLY 43 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 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 3.20 0.13 1.61 2.20 -0.45 -5.00 119.74 120.57 2zol s LYS 44 Ca 0.00 -0.51 -0.35 0.00 -0.36 0.00 0.00 55.97 54.75 2zol s LYS 44 Cb 0.00 -2.77 -0.15 0.00 -1.51 0.00 0.00 37.83 33.40 2zol s LYS 44 CO 0.00 0.48 1.43 1.63 -0.36 0.00 0.00 175.35 178.53 2zol n LYS 45 N 2.79 1.60 -2.75 4.03 5.02 -1.26 -0.63 118.16 126.95 2zol n LYS 45 Ca -0.18 0.58 -0.42 0.00 -2.02 0.00 0.00 58.31 56.27 2zol n LYS 45 Cb 0.53 -2.26 -0.03 0.00 -0.02 0.00 0.00 35.03 33.25 2zol n LYS 45 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2zol s ILE 46 N 0.59 4.80 0.07 -0.18 1.01 0.73 -4.82 121.20 123.40 2zol s ILE 46 Ca 0.81 1.91 -0.37 0.00 0.00 0.00 0.00 60.65 63.00 2zol s ILE 46 Cb -0.82 -4.26 -0.20 0.00 0.01 0.00 0.00 42.46 37.20 2zol s ILE 46 CO 0.44 -0.02 1.56 -0.65 0.00 0.00 0.00 174.94 176.27 2zol h PRO 47 N 7.23 -1.20 -4.16 2.79 0.11 -1.93 -3.39 132.00 131.45 2zol h PRO 47 Ca -0.28 0.08 -0.77 0.00 0.11 0.00 0.00 66.00 65.14 2zol h PRO 47 Cb 1.13 0.27 -0.22 0.00 0.11 0.00 0.00 31.00 32.29 2zol h PRO 47 CO 0.87 -0.80 1.04 1.17 -0.21 0.00 0.00 178.00 180.07 2zol n LYS 48 N -5.60 3.50 -3.42 1.05 4.81 -1.26 -4.98 118.16 112.25 2zol n LYS 48 Ca -0.15 -4.09 -0.41 0.00 -0.87 0.00 0.00 58.31 52.79 2zol n LYS 48 Cb 0.51 -2.83 -0.10 0.00 0.02 0.00 0.00 35.03 32.64 2zol n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2zol s VAL 49 N 0.24 5.19 -0.13 3.15 1.01 -1.26 -4.81 120.40 123.78 2zol s VAL 49 Ca 0.38 -0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.95 2zol s VAL 49 Cb -0.04 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 2zol s VAL 49 CO -0.02 -0.14 1.24 -1.61 0.00 0.00 0.00 175.10 174.57 2zol s GLU 50 N 1.95 4.27 -0.15 2.72 0.41 -0.82 -4.93 118.70 122.15 2zol s GLU 50 Ca 0.10 1.66 -0.06 0.00 -0.41 0.00 0.00 54.97 56.26 2zol s GLU 50 Cb -0.17 -3.70 -0.04 0.00 -1.78 0.00 0.00 34.13 28.44 2zol s GLU 50 CO 0.12 -0.62 0.07 -1.64 -0.49 0.00 0.00 175.26 172.69 2zol s MET 51 N 3.09 3.63 0.85 1.61 -1.94 -1.26 -1.50 119.30 123.78 2zol s MET 51 Ca 0.55 -0.30 -0.12 0.00 -1.71 0.00 0.00 55.69 54.11 2zol s MET 51 Cb -0.22 -3.12 0.10 0.00 2.01 0.00 0.00 34.83 33.60 2zol s MET 51 CO 0.17 0.50 1.13 -1.54 -0.01 0.00 0.00 175.02 175.26 2zol s SER 52 N -0.27 4.02 0.49 3.03 1.04 -0.45 -5.03 113.70 116.53 2zol s SER 52 Ca 0.09 1.07 -0.16 0.00 0.48 0.00 0.00 55.95 57.43 2zol s SER 52 Cb -0.12 -1.70 -0.08 0.00 0.10 0.00 0.00 66.02 64.22 2zol s SER 52 CO 0.01 -2.24 0.94 -1.81 0.98 0.00 0.00 173.24 171.12 2zol s ASP 53 N -4.05 6.62 0.28 7.02 1.01 -1.26 -4.77 116.67 121.52 2zol s ASP 53 Ca 0.62 1.49 -0.30 0.00 0.71 0.00 0.00 52.55 55.07 2zol s ASP 53 Cb -0.14 -2.47 -0.11 0.00 1.01 0.00 0.00 42.92 41.20 2zol s ASP 53 CO 0.53 -0.53 1.60 -0.04 0.21 0.00 0.00 175.17 176.94 2zol s MET 54 N -3.96 4.13 0.24 8.23 -1.94 -1.26 -4.86 119.30 119.88 2zol s MET 54 Ca 0.58 2.56 0.01 0.00 -1.71 0.00 0.00 55.69 57.13 2zol s MET 54 Cb -0.10 -3.04 -0.04 0.00 2.01 0.00 0.00 34.83 33.67 2zol s MET 54 CO 0.30 -0.63 0.17 -1.12 -0.01 0.00 0.00 175.02 173.73 2zol s SER 55 N 0.57 0.57 0.04 3.03 0.01 -1.16 -5.05 113.70 111.72 2zol s SER 55 Ca 0.64 -1.49 -0.10 0.00 1.31 0.00 0.00 55.95 56.31 2zol s SER 55 Cb -0.48 0.43 0.01 0.00 0.21 0.00 0.00 66.02 66.19 2zol s SER 55 CO 0.46 -0.90 0.21 0.72 0.41 0.00 0.00 173.24 174.13 2zol s PHE 56 N -3.96 0.03 0.57 2.43 -0.12 -1.26 -1.44 117.98 114.22 2zol s PHE 56 Ca 0.39 -0.23 0.04 0.00 -0.05 0.00 0.00 56.93 57.09 2zol s PHE 56 Cb 0.06 -0.01 0.06 0.00 -0.63 0.00 0.00 43.02 42.50 2zol s PHE 56 CO 0.16 -0.43 0.79 -1.54 -0.05 0.00 0.00 175.22 174.15 2zol s SER 57 N -2.02 5.09 0.34 1.98 1.04 -0.29 -4.96 113.70 114.87 2zol s SER 57 Ca -0.06 -0.40 0.22 0.00 0.48 0.00 0.00 55.95 56.19 2zol s SER 57 Cb -0.01 -0.32 1.18 0.00 0.10 0.00 0.00 66.02 66.96 2zol s SER 57 CO -0.03 -1.29 1.66 0.07 0.98 0.00 0.00 173.24 174.63 2zol h LYS 58 N 0.08 0.00 -0.42 4.02 2.10 -2.03 0.80 116.57 121.12 2zol h LYS 58 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 2zol h LYS 58 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 2zol h LYS 58 CO 0.45 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.50 2zol n ASP 59 N -2.27 2.66 0.00 7.07 5.75 -1.26 -4.95 116.55 123.54 2zol n ASP 59 Ca -0.01 -1.94 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 2zol n ASP 59 Cb 0.07 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 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 0.95 0.00 -2.21 2.11 5.03 0.27 -5.03 117.44 118.57 2zol n TRP 60 Ca 0.17 0.00 -0.38 0.00 3.03 0.00 0.00 57.50 60.32 2zol n TRP 60 Cb 0.44 0.00 -0.01 0.00 -1.03 0.00 0.00 31.31 30.71 2zol n TRP 60 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 2zol s SER 61 N -0.73 6.34 0.46 -0.99 1.04 -1.26 -4.66 113.70 113.90 2zol s SER 61 Ca 0.00 2.42 -0.06 0.00 0.48 0.00 0.00 55.95 58.79 2zol s SER 61 Cb 0.00 -2.62 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 2zol s SER 61 CO 0.00 -0.81 0.77 -0.36 0.98 0.00 0.00 173.24 173.82 2zol s PHE 62 N -1.41 3.55 0.03 5.02 0.40 -0.66 -1.14 117.98 123.77 2zol s PHE 62 Ca 0.59 0.81 -0.13 0.00 -0.60 0.00 0.00 56.93 57.61 2zol s PHE 62 Cb -0.32 -2.29 0.02 0.00 0.51 0.00 0.00 43.02 40.93 2zol s PHE 62 CO 0.40 -0.23 0.28 1.52 0.70 0.00 0.00 175.22 177.89 2zol s TYR 63 N -2.66 -0.08 -0.11 0.36 1.13 -0.52 -2.20 117.35 113.26 2zol s TYR 63 Ca 0.47 -0.02 -0.19 0.00 -1.41 0.00 0.00 57.07 55.92 2zol s TYR 63 Cb -0.10 0.06 0.05 0.00 -1.10 0.00 0.00 41.96 40.87 2zol s TYR 63 CO 0.42 -0.46 0.48 -1.50 -2.51 0.00 0.00 175.55 171.99 2zol s ILE 64 N -2.25 0.02 -0.22 -3.49 2.07 -0.20 -2.99 121.20 114.13 2zol s ILE 64 Ca -0.07 -0.14 -0.03 0.00 -1.41 0.00 0.00 60.65 59.00 2zol s ILE 64 Cb -0.02 -0.73 0.00 0.00 0.13 0.00 0.00 42.46 41.84 2zol s ILE 64 CO -0.02 -0.07 -0.06 -0.22 -1.91 0.00 0.00 174.94 172.66 2zol s LEU 65 N -0.49 2.89 -0.12 8.50 2.96 -1.26 -1.28 118.68 129.88 2zol s LEU 65 Ca -0.06 -0.52 -0.06 0.00 -0.22 0.00 0.00 54.13 53.27 2zol s LEU 65 Cb -0.03 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 2zol s LEU 65 CO 0.04 -0.04 0.08 0.00 -1.32 0.00 0.00 176.35 175.10 2zol s ALA 66 N 1.43 3.60 -0.04 5.97 0.00 -0.04 -1.34 121.76 131.34 2zol s ALA 66 Ca 0.05 -0.71 -0.13 0.00 0.00 0.00 0.00 51.96 51.16 2zol s ALA 66 Cb -0.15 -1.82 0.02 0.00 0.00 0.00 0.00 23.12 21.18 2zol s ALA 66 CO -0.04 0.51 0.29 -3.38 0.00 0.00 0.00 175.76 173.14 2zol s HIS 67 N -0.67 -0.20 0.03 0.00 -3.43 -0.56 0.61 115.29 111.05 2zol s HIS 67 Ca 0.12 0.39 -0.01 0.00 -0.80 0.00 0.00 55.06 54.76 2zol s HIS 67 Cb -0.12 0.09 -0.02 0.00 -1.43 0.00 0.00 32.58 31.10 2zol s HIS 67 CO 0.02 -0.32 -0.01 -0.08 -2.00 0.00 0.00 174.74 172.35 2zol s THR 68 N -0.92 0.13 0.33 -5.38 -1.32 -0.88 -1.95 115.64 105.66 2zol s THR 68 Ca -0.10 -1.11 -0.28 0.00 -1.21 0.00 0.00 61.69 58.99 2zol s THR 68 Cb -0.05 -0.59 -0.10 0.00 -1.51 0.00 0.00 72.50 70.26 2zol s THR 68 CO 0.03 -0.61 1.23 -1.61 -2.21 0.00 0.00 174.62 171.44 2zol s GLU 69 N -2.08 4.35 -0.14 7.08 0.41 -1.26 -1.68 118.70 125.38 2zol s GLU 69 Ca -0.10 2.04 -0.29 0.00 -0.41 0.00 0.00 54.97 56.21 2zol s GLU 69 Cb -0.05 -3.01 0.08 0.00 -1.78 0.00 0.00 34.13 29.36 2zol s GLU 69 CO -0.03 -0.12 0.73 -0.59 -0.49 0.00 0.00 175.26 174.76 2zol s PHE 70 N -1.20 -0.67 -0.35 1.61 -0.71 -0.95 -4.89 117.98 110.82 2zol s PHE 70 Ca 0.50 1.35 0.01 0.00 -1.04 0.00 0.00 56.93 57.74 2zol s PHE 70 Cb -0.36 0.37 0.09 0.00 -1.21 0.00 0.00 43.02 41.91 2zol s PHE 70 CO 0.47 -0.50 0.07 0.99 -1.34 0.00 0.00 175.22 174.91 2zol s THR 71 N -0.62 2.71 0.49 -4.49 2.01 -1.26 -0.48 115.64 113.99 2zol s THR 71 Ca -0.06 -2.01 -0.22 0.00 0.31 0.00 0.00 61.69 59.70 2zol s THR 71 Cb -0.02 -2.83 -0.07 0.00 0.01 0.00 0.00 72.50 69.59 2zol s THR 71 CO 0.06 -0.48 1.21 -2.16 -0.69 0.00 0.00 174.62 172.56 2zol s PRO 72 N 1.06 3.57 0.29 4.92 0.04 -1.26 -4.81 135.00 138.81 2zol s PRO 72 Ca 0.05 1.88 0.03 0.00 0.04 0.00 0.00 61.00 63.00 2zol s PRO 72 Cb -0.20 -2.34 -0.06 0.00 0.04 0.00 0.00 34.50 31.94 2zol s PRO 72 CO -0.05 -0.74 0.07 0.95 0.04 0.00 0.00 177.00 177.27 2zol s THR 73 N -1.50 0.90 -0.02 1.26 -4.23 -1.26 -1.31 115.64 109.49 2zol s THR 73 Ca 0.66 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.48 2zol s THR 73 Cb -0.31 -2.70 0.35 0.00 1.34 0.00 0.00 72.50 71.17 2zol s THR 73 CO 0.37 -0.02 1.93 -0.08 -0.54 0.00 0.00 174.62 176.29 2zol h GLU 74 N 2.25 0.00 0.03 3.99 4.57 -1.98 -3.24 114.58 120.21 2zol h GLU 74 Ca -0.40 0.00 -0.38 0.00 -1.18 0.00 0.00 59.36 57.41 2zol h GLU 74 Cb 1.24 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.78 2zol h GLU 74 CO 0.65 0.00 -2.30 0.25 -1.18 0.00 0.00 179.01 176.44 2zol n THR 75 N -2.79 1.56 -2.21 0.32 -2.24 -1.26 -4.98 114.28 102.69 2zol n THR 75 Ca 0.00 -0.64 -0.41 0.00 -2.27 0.00 0.00 64.05 60.73 2zol n THR 75 Cb 0.24 -1.36 -0.03 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 -6.50 6.89 0.21 3.42 1.01 -1.23 -5.06 116.67 115.42 2zol s ASP 76 Ca -0.27 2.49 0.07 0.00 0.71 0.00 0.00 52.55 55.55 2zol s ASP 76 Cb 0.08 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 2zol s ASP 76 CO 0.69 -0.49 0.06 0.42 0.21 0.00 0.00 175.17 176.06 2zol s THR 77 N -0.43 3.91 0.03 -1.27 -4.23 -1.26 -4.70 115.64 107.69 2zol s THR 77 Ca 0.53 -1.49 0.02 0.00 -1.18 0.00 0.00 61.69 59.57 2zol s THR 77 Cb -0.37 -3.03 -0.02 0.00 1.34 0.00 0.00 72.50 70.42 2zol s THR 77 CO 0.43 -0.23 -0.07 -0.31 -0.54 0.00 0.00 174.62 173.91 2zol s TYR 78 N -1.96 0.60 0.14 3.99 1.51 -1.26 -1.46 117.35 118.91 2zol s TYR 78 Ca 0.30 -0.37 -0.11 0.00 -1.01 0.00 0.00 57.07 55.88 2zol s TYR 78 Cb -0.08 -0.37 0.01 0.00 -0.11 0.00 0.00 41.96 41.41 2zol s TYR 78 CO 0.21 -0.06 0.32 0.00 -1.11 0.00 0.00 175.55 174.91 2zol s ALA 79 N -0.98 -0.36 -0.11 3.71 0.00 -0.32 -0.31 121.76 123.38 2zol s ALA 79 Ca -0.06 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 51.35 2zol s ALA 79 Cb -0.07 0.73 0.01 0.00 0.00 0.00 0.00 23.12 23.79 2zol s ALA 79 CO 0.00 -0.64 -0.17 0.00 0.00 0.00 0.00 175.76 174.95 2zol s ARG 81 N 0.90 3.76 -0.15 0.00 3.52 0.13 -2.30 118.95 124.81 2zol s ARG 81 Ca -0.08 -0.44 0.01 0.00 -0.13 0.00 0.00 55.73 55.10 2zol s ARG 81 Cb -0.15 -3.27 0.01 0.00 -1.56 0.00 0.00 34.95 29.97 2zol s ARG 81 CO -0.01 -0.02 -0.19 0.08 -0.81 0.00 0.00 175.30 174.35 2zol s VAL 82 N 1.15 2.31 -0.18 7.11 1.01 -0.37 -0.43 120.40 131.00 2zol s VAL 82 Ca 0.04 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 2zol s VAL 82 Cb -0.14 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 2zol s VAL 82 CO 0.03 0.53 -0.10 -0.75 0.00 0.00 0.00 175.10 174.82 2zol s LYS 83 N 0.86 3.32 0.00 2.72 2.20 0.87 -1.91 119.74 127.80 2zol s LYS 83 Ca -0.05 -0.68 -0.12 0.00 -0.36 0.00 0.00 55.97 54.76 2zol s LYS 83 Cb -0.15 -2.81 0.01 0.00 -1.51 0.00 0.00 37.83 33.37 2zol s LYS 83 CO -0.02 -0.06 0.24 -1.58 -0.36 0.00 0.00 175.35 173.57 2zol s HIS 84 N 1.08 -0.08 0.60 4.03 2.46 -1.26 -0.96 115.29 121.16 2zol s HIS 84 Ca 0.00 0.05 0.30 0.00 0.47 0.00 0.00 55.06 55.88 2zol s HIS 84 Cb -0.15 0.04 1.69 0.00 -0.13 0.00 0.00 32.58 34.03 2zol s HIS 84 CO -0.02 -0.37 2.08 -0.44 -2.47 0.00 0.00 174.74 173.52 2zol h ASP 85 N 3.90 0.00 1.97 9.88 3.32 -1.93 -2.07 116.42 131.48 2zol h ASP 85 Ca -0.30 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 40.73 2zol h ASP 85 CO 0.42 0.00 -0.03 0.77 -1.72 0.00 0.00 179.24 178.67 2zol h SER 86 N 0.00 0.00 -3.35 6.45 4.64 -1.87 -3.45 113.55 115.98 2zol h SER 86 Ca 0.08 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.75 2zol h SER 86 Cb 0.54 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.44 2zol h SER 86 CO -0.00 0.00 -0.65 -0.04 -0.87 0.00 0.00 176.83 175.28 2zol s MET 87 N -3.21 3.43 0.10 4.77 -1.94 -0.78 -4.90 119.30 116.77 2zol s MET 87 Ca 0.07 -0.48 -0.20 0.00 -1.71 0.00 0.00 55.69 53.38 2zol s MET 87 Cb 0.05 -2.88 -0.08 0.00 2.01 0.00 0.00 34.83 33.93 2zol s MET 87 CO 0.67 0.41 1.67 0.00 -0.01 0.00 0.00 175.02 177.76 2zol h ALA 88 N 6.15 0.27 -3.27 3.03 0.00 -1.87 -3.44 119.26 120.14 2zol h ALA 88 Ca -0.39 -0.09 -0.66 0.00 0.00 0.00 0.00 54.91 53.78 2zol h ALA 88 Cb 1.19 -0.08 -0.18 0.00 0.00 0.00 0.00 17.79 18.71 2zol h ALA 88 CO 0.60 -0.16 -0.82 -1.21 0.00 0.00 0.00 179.25 177.67 2zol s GLU 89 N -5.69 1.58 0.28 0.00 2.02 -1.26 -5.09 118.70 110.53 2zol s GLU 89 Ca -0.13 -1.46 -0.30 0.00 0.02 0.00 0.00 54.97 53.09 2zol s GLU 89 Cb 0.08 -1.90 -0.12 0.00 0.10 0.00 0.00 34.13 32.29 2zol s GLU 89 CO 0.71 0.41 1.63 -2.14 0.02 0.00 0.00 175.26 175.89 2zol s PRO 90 N -2.60 4.11 -0.16 0.39 0.02 -1.26 -4.93 135.00 130.56 2zol s PRO 90 Ca 0.20 2.60 -0.15 0.00 0.02 0.00 0.00 61.00 63.68 2zol s PRO 90 Cb -0.08 -3.03 -0.04 0.00 0.02 0.00 0.00 34.50 31.36 2zol s PRO 90 CO 0.10 -0.68 0.35 0.21 -0.33 0.00 0.00 177.00 176.65 2zol s LYS 91 N -0.11 4.26 -0.15 5.54 2.20 -0.80 -4.91 119.74 125.76 2zol s LYS 91 Ca 0.66 0.18 -0.00 0.00 -0.36 0.00 0.00 55.97 56.45 2zol s LYS 91 Cb -0.49 -3.45 -0.01 0.00 -1.51 0.00 0.00 37.83 32.37 2zol s LYS 91 CO 0.44 0.16 -0.13 0.99 -0.36 0.00 0.00 175.35 176.45 2zol s THR 92 N 0.69 2.89 -0.13 3.43 2.01 -1.26 -1.24 115.64 122.04 2zol s THR 92 Ca 0.19 -0.70 0.02 0.00 0.31 0.00 0.00 61.69 61.52 2zol s THR 92 Cb -0.14 -2.23 0.01 0.00 0.01 0.00 0.00 72.50 70.15 2zol s THR 92 CO 0.06 0.51 -0.20 0.68 -0.69 0.00 0.00 174.62 174.98 2zol s VAL 93 N 0.73 1.88 0.37 3.82 -7.23 -0.97 -4.97 120.40 114.04 2zol s VAL 93 Ca -0.06 -0.88 -0.20 0.00 -1.81 0.00 0.00 61.98 59.03 2zol s VAL 93 Cb -0.15 -1.67 -0.10 0.00 0.56 0.00 0.00 36.38 35.01 2zol s VAL 93 CO 0.01 0.52 0.88 -0.31 -0.31 0.00 0.00 175.10 175.89 2zol s TYR 94 N 0.83 3.40 0.04 2.82 1.51 -1.26 -2.38 117.35 122.31 2zol s TYR 94 Ca -0.08 1.53 -0.31 0.00 -1.01 0.00 0.00 57.07 57.20 2zol s TYR 94 Cb -0.16 -2.77 -0.06 0.00 -0.11 0.00 0.00 41.96 38.86 2zol s TYR 94 CO -0.01 0.02 1.37 -0.46 -1.11 0.00 0.00 175.55 175.36 2zol s TRP 95 N -2.01 3.04 -0.22 2.71 -0.00 0.58 -4.87 118.94 118.17 2zol s TRP 95 Ca 0.57 0.91 -0.01 0.00 -0.00 0.00 0.00 56.10 57.57 2zol s TRP 95 Cb -0.11 -3.64 0.02 0.00 -0.00 0.00 0.00 33.47 29.73 2zol s TRP 95 CO 0.16 -2.30 -0.10 0.34 -0.00 0.00 0.00 176.95 175.06 2zol s ASP 96 N 1.55 4.00 0.56 5.86 -1.08 -1.26 -4.77 116.67 121.53 2zol s ASP 96 Ca 0.63 -0.72 0.24 0.00 -0.52 0.00 0.00 52.55 52.18 2zol s ASP 96 Cb -0.33 -1.63 1.55 0.00 -1.46 0.00 0.00 42.92 41.05 2zol s ASP 96 CO 0.28 -0.07 2.18 0.03 0.52 0.00 0.00 175.17 178.11 2zol h ARG 97 N 8.01 0.00 -0.01 4.34 3.08 -1.95 -2.00 114.38 125.86 2zol h ARG 97 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.67 2zol h ARG 97 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.18 2zol h ARG 97 CO 0.59 0.00 -0.11 -0.25 -1.07 0.00 0.00 179.97 179.13 2zol n ASP 98 N -4.16 0.79 0.00 7.04 8.00 -1.26 -4.94 116.55 122.02 2zol n ASP 98 Ca -0.02 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.59 2zol n ASP 98 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 2zol n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04