#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zye s GLN 2 N 0.00 3.68 -0.22 0.54 0.74 -1.26 -5.10 119.66 118.04 2zye s GLN 2 Ca 0.00 -0.48 -0.03 0.00 0.05 0.00 0.00 55.36 54.90 2zye s GLN 2 Cb 0.00 -3.22 0.00 0.00 1.10 0.00 0.00 33.01 30.89 2zye s GLN 2 CO 0.00 -0.06 -0.06 0.42 -0.55 0.00 0.00 175.29 175.04 2zye s ILE 3 N 1.24 3.14 0.67 -2.34 1.01 -1.26 -5.10 121.20 118.57 2zye s ILE 3 Ca 0.04 -0.64 -0.09 0.00 0.00 0.00 0.00 60.65 59.96 2zye s ILE 3 Cb -0.15 -2.45 0.02 0.00 0.01 0.00 0.00 42.46 39.89 2zye s ILE 3 CO 0.03 0.39 1.03 0.42 0.00 0.00 0.00 174.94 176.81 2zye s THR 4 N 1.43 3.45 -0.20 2.92 -4.23 -1.26 -5.02 115.64 112.73 2zye s THR 4 Ca 0.05 0.27 0.15 0.00 -1.18 0.00 0.00 61.69 60.98 2zye s THR 4 Cb -0.15 -3.44 0.46 0.00 1.34 0.00 0.00 72.50 70.72 2zye s THR 4 CO -0.05 -0.53 1.36 0.18 -0.54 0.00 0.00 174.62 175.05 2zye n LEU 5 N -2.87 3.53 0.19 4.79 4.77 -1.26 -4.53 117.00 121.62 2zye n LEU 5 Ca 0.06 -3.29 0.05 0.00 -0.03 0.00 0.00 56.01 52.80 2zye n LEU 5 Cb 0.58 -0.54 0.51 0.00 -2.33 0.00 0.00 43.42 41.63 2zye n LEU 5 CO 0.56 0.88 0.97 -0.50 -1.33 0.00 0.00 177.39 177.97 2zye h TRP 6 N 1.13 0.11 -2.91 -1.77 4.06 -2.06 -3.43 115.95 111.07 2zye h TRP 6 Ca 0.06 -0.01 -0.45 0.00 2.06 0.00 0.00 58.89 60.56 2zye h TRP 6 Cb 1.38 -0.03 -0.14 0.00 -1.00 0.00 0.00 29.16 29.36 2zye h TRP 6 CO 0.54 0.19 -0.66 0.15 -3.56 0.00 0.00 178.44 175.10 2zye s LYS 7 N -4.86 1.48 0.23 0.49 1.02 -1.26 -5.11 119.74 111.73 2zye s LYS 7 Ca -0.05 -1.76 -0.31 0.00 0.02 0.00 0.00 55.97 53.87 2zye s LYS 7 Cb 0.16 -0.92 -0.13 0.00 -0.52 0.00 0.00 37.83 36.42 2zye s LYS 7 CO 0.70 -0.04 1.46 0.54 -0.92 0.00 0.00 175.35 177.09 2zye n ARG 8 N -0.53 2.14 -2.73 1.68 1.74 -1.26 -4.88 116.66 112.82 2zye n ARG 8 Ca -0.05 0.77 -0.43 0.00 -0.77 0.00 0.00 57.85 57.37 2zye n ARG 8 Cb 0.64 -2.46 -0.01 0.00 -1.02 0.00 0.00 32.46 29.61 2zye n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2zye s PRO 9 N -0.21 3.84 -0.16 5.56 0.04 -1.26 -4.95 135.00 137.85 2zye s PRO 9 Ca 0.69 -1.86 -0.09 0.00 0.04 0.00 0.00 61.00 59.78 2zye s PRO 9 Cb -0.63 -5.27 -0.05 0.00 0.04 0.00 0.00 34.50 28.60 2zye s PRO 9 CO 0.48 -2.04 0.15 -0.51 0.04 0.00 0.00 177.00 175.11 2zye s LEU 10 N 3.51 4.28 0.11 -3.56 1.43 -1.26 -1.14 118.68 122.06 2zye s LEU 10 Ca 0.45 0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.92 2zye s LEU 10 Cb -0.00 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 2zye s LEU 10 CO -0.02 0.26 -0.05 0.68 0.23 0.00 0.00 176.35 177.45 2zye s VAL 11 N -0.17 0.66 0.10 -1.59 -7.23 -0.37 -4.95 120.40 106.84 2zye s VAL 11 Ca 0.11 -1.94 -0.24 0.00 -1.81 0.00 0.00 61.98 58.11 2zye s VAL 11 Cb -0.12 -1.74 -0.07 0.00 0.56 0.00 0.00 36.38 35.01 2zye s VAL 11 CO 0.01 -0.82 0.71 -0.89 -0.31 0.00 0.00 175.10 173.81 2zye s THR 12 N -3.65 4.60 0.18 5.32 2.01 -1.26 -0.93 115.64 121.90 2zye s THR 12 Ca 0.13 1.54 0.08 0.00 0.31 0.00 0.00 61.69 63.75 2zye s THR 12 Cb 0.06 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 2zye s THR 12 CO -0.04 0.47 -0.15 0.27 -0.69 0.00 0.00 174.62 174.48 2zye s ILE 13 N -0.74 1.68 -0.13 1.82 -4.36 -0.01 -1.49 121.20 117.98 2zye s ILE 13 Ca 0.35 -2.03 0.01 0.00 -0.26 0.00 0.00 60.65 58.72 2zye s ILE 13 Cb -0.21 -1.89 0.02 0.00 1.25 0.00 0.00 42.46 41.62 2zye s ILE 13 CO 0.23 -0.48 -0.16 -0.75 0.24 0.00 0.00 174.94 174.02 2zye s LYS 14 N -3.22 2.36 -0.06 0.37 2.20 -0.44 -1.42 119.74 119.54 2zye s LYS 14 Ca 0.18 -0.60 -0.03 0.00 -0.36 0.00 0.00 55.97 55.16 2zye s LYS 14 Cb -0.03 -2.04 0.03 0.00 -1.51 0.00 0.00 37.83 34.28 2zye s LYS 14 CO 0.06 -0.12 0.13 -1.50 -0.36 0.00 0.00 175.35 173.56 2zye s ILE 15 N 1.13 -0.04 -1.53 5.43 2.07 -0.22 -1.65 121.20 126.39 2zye s ILE 15 Ca -0.03 0.14 -0.02 0.00 -1.41 0.00 0.00 60.65 59.34 2zye s ILE 15 Cb -0.14 -0.21 0.01 0.00 0.13 0.00 0.00 42.46 42.25 2zye s ILE 15 CO -0.05 0.06 0.20 0.61 -1.91 0.00 0.00 174.94 173.85 2zye n GLY 16 N 3.92 -0.51 2.67 1.50 0.00 -1.26 -1.01 105.19 110.51 2zye n GLY 16 Ca -0.23 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2zye n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2zye n GLY 17 N -1.12 2.15 3.67 -0.02 0.00 -1.26 -5.02 105.19 103.60 2zye n GLY 17 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 2zye n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2zye s GLN 18 N -0.11 3.22 0.03 1.61 -0.21 -0.18 -5.11 119.66 118.91 2zye s GLN 18 Ca 0.00 -0.39 -0.24 0.00 0.02 0.00 0.00 55.36 54.75 2zye s GLN 18 Cb 0.00 -2.89 -0.05 0.00 1.00 0.00 0.00 33.01 31.07 2zye s GLN 18 CO 0.00 0.60 0.74 -0.51 -2.12 0.00 0.00 175.29 174.00 2zye s LEU 19 N -0.60 4.44 0.08 2.90 1.43 -1.26 -1.06 118.68 124.61 2zye s LEU 19 Ca 0.10 1.39 -0.05 0.00 -1.03 0.00 0.00 54.13 54.54 2zye s LEU 19 Cb -0.12 -3.18 -0.02 0.00 0.03 0.00 0.00 46.19 42.90 2zye s LEU 19 CO 0.02 0.02 0.10 -0.54 0.23 0.00 0.00 176.35 176.18 2zye s LYS 20 N -0.01 0.79 -0.08 1.70 1.02 -0.51 -4.99 119.74 117.66 2zye s LYS 20 Ca 0.37 -1.13 -0.12 0.00 0.02 0.00 0.00 55.97 55.12 2zye s LYS 20 Cb -0.20 0.28 -0.05 0.00 -0.52 0.00 0.00 37.83 37.34 2zye s LYS 20 CO 0.22 -0.22 0.28 -2.00 -0.92 0.00 0.00 175.35 172.71 2zye s GLU 21 N -3.91 3.79 0.06 1.68 2.12 -1.26 -0.83 118.70 120.35 2zye s GLU 21 Ca 0.09 0.14 -0.07 0.00 0.36 0.00 0.00 54.97 55.49 2zye s GLU 21 Cb 0.06 -3.25 -0.01 0.00 0.26 0.00 0.00 34.13 31.20 2zye s GLU 21 CO -0.08 0.64 0.13 0.00 -0.54 0.00 0.00 175.26 175.41 2zye s ALA 22 N -0.78 -0.09 -0.16 6.30 0.00 -0.11 -4.39 121.76 122.53 2zye s ALA 22 Ca 0.19 -0.65 -0.16 0.00 0.00 0.00 0.00 51.96 51.34 2zye s ALA 22 Cb -0.14 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 2zye s ALA 22 CO 0.08 -0.42 0.38 -1.17 0.00 0.00 0.00 175.76 174.63 2zye s LEU 23 N -2.59 4.22 -0.37 0.00 2.96 0.14 -1.24 118.68 121.79 2zye s LEU 23 Ca 0.02 0.59 -0.29 0.00 -0.22 0.00 0.00 54.13 54.23 2zye s LEU 23 Cb 0.03 -2.51 0.02 0.00 0.50 0.00 0.00 46.19 44.23 2zye s LEU 23 CO -0.08 0.01 1.10 -0.76 -1.32 0.00 0.00 176.35 175.29 2zye s LEU 24 N 0.81 3.83 -0.30 -0.68 1.43 -0.29 -0.83 118.68 122.65 2zye s LEU 24 Ca 0.20 0.85 -0.01 0.00 -1.03 0.00 0.00 54.13 54.14 2zye s LEU 24 Cb -0.14 -3.55 0.10 0.00 0.03 0.00 0.00 46.19 42.63 2zye s LEU 24 CO 0.07 -1.01 0.09 -0.62 0.23 0.00 0.00 176.35 175.10 2zye s ASP 25 N 1.94 3.96 0.32 2.29 -1.08 -0.19 -4.81 116.67 119.10 2zye s ASP 25 Ca 0.46 -1.57 0.26 0.00 -0.52 0.00 0.00 52.55 51.18 2zye s ASP 25 Cb -0.10 -0.87 1.06 0.00 -1.46 0.00 0.00 42.92 41.54 2zye s ASP 25 CO 0.21 -0.40 1.77 0.71 0.52 0.00 0.00 175.17 177.98 2zye h THR 26 N 6.50 0.00 -0.00 1.71 1.35 -1.94 -2.71 112.91 117.82 2zye h THR 26 Ca -0.14 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 2zye h THR 26 Cb 1.02 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 2zye h THR 26 CO 0.46 0.00 -0.13 0.61 -0.25 0.00 0.00 175.52 176.21 2zye n GLY 27 N 0.02 -1.39 3.70 5.82 0.00 -1.26 -4.83 105.19 107.26 2zye n GLY 27 Ca 0.02 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 2zye n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zye s ALA 28 N -2.94 3.61 0.21 4.61 0.00 -1.02 -4.97 121.76 121.26 2zye s ALA 28 Ca 0.15 -0.63 -0.00 0.00 0.00 0.00 0.00 51.96 51.48 2zye s ALA 28 Cb 0.19 -2.36 0.18 0.00 0.00 0.00 0.00 23.12 21.13 2zye s ALA 28 CO 0.57 -0.02 1.54 -0.44 0.00 0.00 0.00 175.76 177.41 2zye h ASP 29 N 6.99 0.50 -2.09 0.00 3.32 -1.88 -0.12 116.42 123.14 2zye h ASP 29 Ca -0.39 -0.26 -0.61 0.00 0.02 0.00 0.00 57.03 55.78 2zye h ASP 29 Cb 1.16 -0.14 -0.14 0.00 0.22 0.00 0.00 39.33 40.43 2zye h ASP 29 CO 0.73 0.94 -0.71 -1.81 -1.72 0.00 0.00 179.24 176.67 2zye s ASP 30 N -6.90 3.63 -0.21 6.45 -0.00 -1.26 -3.10 116.67 115.28 2zye s ASP 30 Ca -0.06 -1.14 -0.08 0.00 -0.00 0.00 0.00 52.55 51.27 2zye s ASP 30 Cb 0.12 -0.32 -0.04 0.00 -0.00 0.00 0.00 42.92 42.68 2zye s ASP 30 CO 0.82 -0.12 0.08 -0.89 -0.00 0.00 0.00 175.17 175.06 2zye s THR 31 N -2.59 4.74 -0.10 -1.27 2.01 -1.26 -3.43 115.64 113.74 2zye s THR 31 Ca 0.31 -0.04 -0.00 0.00 0.31 0.00 0.00 61.69 62.27 2zye s THR 31 Cb -0.00 -3.17 0.02 0.00 0.01 0.00 0.00 72.50 69.36 2zye s THR 31 CO 0.16 0.41 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.73 2zye s VAL 32 N 0.78 1.00 0.07 3.82 1.01 -0.47 -0.78 120.40 125.83 2zye s VAL 32 Ca 0.04 -0.29 0.09 0.00 0.00 0.00 0.00 61.98 61.82 2zye s VAL 32 Cb -0.13 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 2zye s VAL 32 CO 0.02 0.36 -0.26 -0.63 0.00 0.00 0.00 175.10 174.59 2zye s ILE 33 N 1.53 2.10 0.89 2.22 -1.09 0.16 -0.47 121.20 126.55 2zye s ILE 33 Ca 0.01 -1.47 -0.11 0.00 -2.23 0.00 0.00 60.65 56.85 2zye s ILE 33 Cb -0.13 -1.82 0.11 0.00 -1.58 0.00 0.00 42.46 39.04 2zye s ILE 33 CO -0.06 0.27 1.03 -1.84 -1.23 0.00 0.00 174.94 173.11 2zye n GLU 34 N 1.55 -0.27 -1.70 2.79 0.28 -1.26 -1.48 120.64 120.55 2zye n GLU 34 Ca -0.17 -0.01 -0.44 0.00 -0.16 0.00 0.00 57.16 56.38 2zye n GLU 34 Cb 0.52 -2.30 -0.04 0.00 1.43 0.00 0.00 31.44 31.06 2zye n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2zye n GLU 35 N -3.56 2.50 -3.55 3.44 -0.58 -1.16 -4.55 120.64 113.18 2zye n GLU 35 Ca 0.12 0.90 -0.09 0.00 -0.42 0.00 0.00 57.16 57.67 2zye n GLU 35 Cb 0.52 -2.72 -0.02 0.00 -0.57 0.00 0.00 31.44 28.65 2zye n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2zye s MET 36 N 1.06 1.15 -0.09 3.49 0.23 -1.26 -5.03 119.30 118.85 2zye s MET 36 Ca 0.77 -0.49 -0.14 0.00 -1.03 0.00 0.00 55.69 54.79 2zye s MET 36 Cb -0.58 0.48 -0.05 0.00 -1.53 0.00 0.00 34.83 33.15 2zye s MET 36 CO 0.35 -0.51 0.36 0.45 -2.03 0.00 0.00 175.02 173.63 2zye s SER 37 N -2.70 6.62 0.11 -1.18 0.15 -1.26 -5.04 113.70 110.40 2zye s SER 37 Ca 0.05 0.73 0.05 0.00 0.70 0.00 0.00 55.95 57.49 2zye s SER 37 Cb -0.02 -2.22 -0.04 0.00 -1.71 0.00 0.00 66.02 62.04 2zye s SER 37 CO -0.07 0.20 -0.13 -0.76 1.20 0.00 0.00 173.24 173.68 2zye s LEU 38 N -0.24 2.38 0.27 3.45 1.43 -1.26 -4.97 118.68 119.74 2zye s LEU 38 Ca 0.21 -0.77 -0.29 0.00 -1.03 0.00 0.00 54.13 52.25 2zye s LEU 38 Cb -0.15 -0.48 -0.09 0.00 0.03 0.00 0.00 46.19 45.50 2zye s LEU 38 CO 0.09 -0.16 0.99 -2.16 0.23 0.00 0.00 176.35 175.34 2zye s PRO 39 N -2.51 4.73 0.00 1.29 0.05 -1.26 -4.95 135.00 132.35 2zye s PRO 39 Ca 0.06 1.56 0.00 0.00 0.05 0.00 0.00 61.00 62.67 2zye s PRO 39 Cb -0.05 -3.16 0.00 0.00 0.05 0.00 0.00 34.50 31.34 2zye s PRO 39 CO 0.02 0.37 0.00 0.41 0.05 0.00 0.00 177.00 177.85 2zye n GLY 40 N 1.23 0.44 3.82 0.56 0.00 -1.26 -5.02 105.19 104.96 2zye n GLY 40 Ca -0.01 -2.25 -0.38 0.00 0.00 0.00 0.00 46.02 43.38 2zye n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2zye s ARG 41 N -0.44 4.12 0.24 1.61 6.06 -1.26 -5.09 118.95 124.19 2zye s ARG 41 Ca 0.00 0.65 0.05 0.00 -2.50 0.00 0.00 55.73 53.94 2zye s ARG 41 Cb 0.00 -3.19 -0.05 0.00 0.06 0.00 0.00 34.95 31.77 2zye s ARG 41 CO 0.00 0.63 -0.05 1.67 -2.50 0.00 0.00 175.30 175.04 2zye s TRP 42 N -1.16 1.70 0.05 5.12 1.48 -1.26 -4.55 118.94 120.32 2zye s TRP 42 Ca 0.29 -0.77 0.06 0.00 -1.06 0.00 0.00 56.10 54.62 2zye s TRP 42 Cb -0.18 -0.95 -0.02 0.00 -1.16 0.00 0.00 33.47 31.16 2zye s TRP 42 CO 0.18 0.15 -0.16 -1.59 -4.06 0.00 0.00 176.95 171.47 2zye s LYS 43 N -3.77 1.03 0.42 3.25 -2.85 -0.89 -4.91 119.74 112.01 2zye s LYS 43 Ca 0.27 -0.84 -0.21 0.00 -1.00 0.00 0.00 55.97 54.18 2zye s LYS 43 Cb 0.04 -1.08 -0.11 0.00 -2.06 0.00 0.00 37.83 34.62 2zye s LYS 43 CO 0.09 0.26 0.96 -1.25 0.10 0.00 0.00 175.35 175.51 2zye s PRO 44 N -1.26 4.23 0.01 1.78 0.04 -1.26 -0.98 135.00 137.56 2zye s PRO 44 Ca 0.03 1.16 -0.12 0.00 0.04 0.00 0.00 61.00 62.11 2zye s PRO 44 Cb -0.08 -2.24 0.01 0.00 0.04 0.00 0.00 34.50 32.23 2zye s PRO 44 CO 0.02 -0.03 0.26 0.21 0.04 0.00 0.00 177.00 177.49 2zye s LYS 45 N -3.07 0.67 -0.07 4.56 2.20 -0.66 -4.88 119.74 118.49 2zye s LYS 45 Ca 0.61 -0.38 0.03 0.00 -0.36 0.00 0.00 55.97 55.87 2zye s LYS 45 Cb -0.11 0.29 -0.02 0.00 -1.51 0.00 0.00 37.83 36.48 2zye s LYS 45 CO 0.15 -0.19 -0.14 -1.64 -0.36 0.00 0.00 175.35 173.16 2zye s MET 46 N -1.84 2.74 0.01 4.03 -1.94 -1.26 -1.33 119.30 119.71 2zye s MET 46 Ca -0.10 -0.70 0.05 0.00 -1.71 0.00 0.00 55.69 53.22 2zye s MET 46 Cb -0.04 -2.44 -0.02 0.00 2.01 0.00 0.00 34.83 34.35 2zye s MET 46 CO 0.01 0.50 -0.14 0.96 -0.01 0.00 0.00 175.02 176.34 2zye s ILE 47 N -0.42 1.11 0.08 2.53 -4.36 -0.81 -4.97 121.20 114.36 2zye s ILE 47 Ca 0.05 -0.77 0.07 0.00 -0.26 0.00 0.00 60.65 59.74 2zye s ILE 47 Cb -0.12 -0.96 -0.03 0.00 1.25 0.00 0.00 42.46 42.60 2zye s ILE 47 CO 0.02 0.18 -0.18 -0.83 0.24 0.00 0.00 174.94 174.38 2zye s GLY 48 N -0.67 1.04 0.00 6.27 0.00 -1.26 -1.24 107.32 111.46 2zye s GLY 48 Ca 0.04 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.67 2zye s GLY 48 CO 0.00 -1.09 0.00 0.61 0.00 0.00 0.00 173.10 172.62 2zye n GLY 49 N 1.31 3.81 3.69 0.20 0.00 -0.63 -4.99 105.19 108.60 2zye n GLY 49 Ca -0.20 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 2zye n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2zye s ILE 50 N -0.14 3.59 0.00 -0.61 -1.09 -1.26 -1.96 121.20 119.74 2zye s ILE 50 Ca 0.00 1.02 0.00 0.00 -2.23 0.00 0.00 60.65 59.44 2zye s ILE 50 Cb 0.00 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.22 2zye s ILE 50 CO 0.00 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.33 2zye n GLY 51 N 3.64 3.08 0.00 6.18 0.00 -1.26 -4.95 105.19 111.89 2zye n GLY 51 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2zye n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2zye n GLY 52 N -1.66 0.25 3.57 -0.02 0.00 -0.83 -5.09 105.19 101.42 2zye n GLY 52 Ca 0.00 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 43.64 2zye n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2zye s PHE 53 N 0.00 2.73 0.19 1.61 0.40 -1.26 -1.60 117.98 120.05 2zye s PHE 53 Ca 0.00 -0.16 0.06 0.00 -0.60 0.00 0.00 56.93 56.23 2zye s PHE 53 Cb 0.00 -1.43 -0.05 0.00 0.51 0.00 0.00 43.02 42.05 2zye s PHE 53 CO 0.00 0.42 -0.12 0.96 0.70 0.00 0.00 175.22 177.18 2zye s ILE 54 N -1.21 1.52 -0.13 0.64 -4.36 -0.37 -4.97 121.20 112.32 2zye s ILE 54 Ca 0.21 -2.15 -0.09 0.00 -0.26 0.00 0.00 60.65 58.36 2zye s ILE 54 Cb -0.11 -2.00 -0.04 0.00 1.25 0.00 0.00 42.46 41.56 2zye s ILE 54 CO 0.13 -0.63 0.18 -0.75 0.24 0.00 0.00 174.94 174.11 2zye s LYS 55 N -3.69 3.77 0.18 0.37 2.20 -1.26 -1.92 119.74 119.39 2zye s LYS 55 Ca 0.21 -0.08 0.02 0.00 -0.36 0.00 0.00 55.97 55.75 2zye s LYS 55 Cb 0.01 -3.28 -0.05 0.00 -1.51 0.00 0.00 37.83 33.00 2zye s LYS 55 CO 0.05 0.59 0.01 0.14 -0.36 0.00 0.00 175.35 175.77 2zye s VAL 56 N -0.50 0.67 -0.21 4.02 -7.23 -0.44 -4.52 120.40 112.19 2zye s VAL 56 Ca 0.14 -1.98 -0.08 0.00 -1.81 0.00 0.00 61.98 58.25 2zye s VAL 56 Cb -0.12 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 2zye s VAL 56 CO 0.03 -0.44 0.09 -0.13 -0.31 0.00 0.00 175.10 174.34 2zye s ARG 57 N -3.92 3.91 -0.32 4.82 0.52 -0.18 -1.65 118.95 122.13 2zye s ARG 57 Ca 0.25 -0.36 -0.19 0.00 -0.52 0.00 0.00 55.73 54.91 2zye s ARG 57 Cb 0.06 -3.32 -0.01 0.00 0.52 0.00 0.00 34.95 32.20 2zye s ARG 57 CO 0.05 0.10 0.54 -1.14 0.02 0.00 0.00 175.30 174.86 2zye s GLN 58 N 0.88 3.79 -0.15 3.54 0.74 -0.15 -0.63 119.66 127.68 2zye s GLN 58 Ca 0.05 0.06 -0.04 0.00 0.05 0.00 0.00 55.36 55.47 2zye s GLN 58 Cb -0.14 -3.75 -0.03 0.00 1.10 0.00 0.00 33.01 30.19 2zye s GLN 58 CO 0.03 -0.56 0.00 0.71 -0.55 0.00 0.00 175.29 174.92 2zye s TYR 59 N 2.44 3.13 0.15 1.67 1.51 -0.22 -2.10 117.35 123.92 2zye s TYR 59 Ca 0.21 -0.06 0.00 0.00 -1.01 0.00 0.00 57.07 56.21 2zye s TYR 59 Cb -0.15 -1.95 -0.04 0.00 -0.11 0.00 0.00 41.96 39.71 2zye s TYR 59 CO 0.12 0.15 0.32 -0.51 -1.11 0.00 0.00 175.55 174.52 2zye s ASP 60 N 0.05 6.37 -1.31 2.29 1.01 -1.26 -1.14 116.67 122.68 2zye s ASP 60 Ca 0.02 0.30 -0.05 0.00 0.71 0.00 0.00 52.55 53.53 2zye s ASP 60 Cb -0.13 -1.97 0.01 0.00 1.01 0.00 0.00 42.92 41.85 2zye s ASP 60 CO 0.02 0.04 1.03 0.00 0.21 0.00 0.00 175.17 176.47 2zye n GLN 61 N -0.40 -6.79 -3.51 8.23 1.13 -1.17 -4.93 117.38 109.94 2zye n GLN 61 Ca -0.05 0.78 -0.37 0.00 -1.94 0.00 0.00 57.00 55.42 2zye n GLN 61 Cb 0.53 -5.74 -0.06 0.00 0.11 0.00 0.00 30.24 25.08 2zye n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2zye s ILE 62 N -3.38 5.04 -0.16 5.09 -1.09 -0.37 -4.82 121.20 121.51 2zye s ILE 62 Ca 0.30 0.73 -0.12 0.00 -2.23 0.00 0.00 60.65 59.33 2zye s ILE 62 Cb -0.14 -3.69 -0.05 0.00 -1.58 0.00 0.00 42.46 37.00 2zye s ILE 62 CO 0.75 0.48 0.24 -0.63 -1.23 0.00 0.00 174.94 174.55 2zye s ILE 63 N -1.19 5.34 -0.02 2.92 1.01 -1.26 -1.68 121.20 126.32 2zye s ILE 63 Ca 0.27 0.44 0.01 0.00 0.00 0.00 0.00 60.65 61.37 2zye s ILE 63 Cb -0.16 -3.57 0.01 0.00 0.01 0.00 0.00 42.46 38.75 2zye s ILE 63 CO 0.15 0.44 -0.03 -0.63 0.00 0.00 0.00 174.94 174.87 2zye s ILE 64 N 0.18 0.33 -0.28 2.92 1.01 -0.70 -4.56 121.20 120.10 2zye s ILE 64 Ca 0.15 -0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.59 2zye s ILE 64 Cb -0.13 -0.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.97 2zye s ILE 64 CO 0.03 0.13 0.17 -0.70 0.00 0.00 0.00 174.94 174.58 2zye s GLU 65 N 0.39 3.83 -0.34 2.79 2.12 -0.66 -1.05 118.70 125.78 2zye s GLU 65 Ca -0.04 -0.39 -0.06 0.00 0.36 0.00 0.00 54.97 54.84 2zye s GLU 65 Cb -0.07 -3.62 0.05 0.00 0.26 0.00 0.00 34.13 30.75 2zye s GLU 65 CO -0.01 -0.22 0.10 0.42 -0.54 0.00 0.00 175.26 175.02 2zye s ILE 66 N 1.73 3.66 -1.54 -3.70 1.01 0.49 -1.33 121.20 121.52 2zye s ILE 66 Ca 0.07 -1.24 -0.03 0.00 0.00 0.00 0.00 60.65 59.45 2zye s ILE 66 Cb -0.16 -3.11 0.03 0.00 0.01 0.00 0.00 42.46 39.22 2zye s ILE 66 CO 0.10 -0.22 0.22 0.00 0.00 0.00 0.00 174.94 175.04 2zye n ALA 67 N 4.78 -1.91 -0.81 9.38 0.00 -0.55 -0.73 120.51 130.67 2zye n ALA 67 Ca -0.12 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2zye n ALA 67 Cb 0.44 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2zye n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2zye n GLY 68 N -2.22 0.83 3.46 0.00 0.00 -1.26 -5.03 105.19 100.96 2zye n GLY 68 Ca -0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 2zye n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2zye s HIS 69 N -3.22 3.01 0.22 1.61 4.02 0.10 -5.07 115.29 115.97 2zye s HIS 69 Ca 0.00 -0.43 -0.30 0.00 1.02 0.00 0.00 55.06 55.35 2zye s HIS 69 Cb 0.00 -2.01 -0.09 0.00 -1.02 0.00 0.00 32.58 29.46 2zye s HIS 69 CO 0.00 -0.16 0.95 0.15 1.02 0.00 0.00 174.74 176.70 2zye s LYS 70 N 0.69 4.83 0.07 1.40 1.02 -1.26 -0.38 119.74 126.11 2zye s LYS 70 Ca -0.02 1.49 -0.01 0.00 0.02 0.00 0.00 55.97 57.46 2zye s LYS 70 Cb -0.14 -3.29 -0.04 0.00 -0.52 0.00 0.00 37.83 33.83 2zye s LYS 70 CO 0.02 0.47 -0.01 0.00 -0.92 0.00 0.00 175.35 174.91 2zye s ALA 71 N -1.01 0.62 -0.00 5.17 0.00 -0.21 -4.85 121.76 121.47 2zye s ALA 71 Ca 0.42 -1.27 0.04 0.00 0.00 0.00 0.00 51.96 51.15 2zye s ALA 71 Cb -0.26 0.39 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 2zye s ALA 71 CO 0.32 -0.39 -0.14 0.42 0.00 0.00 0.00 175.76 175.97 2zye s ILE 72 N -3.93 1.10 -0.62 0.00 1.01 -1.26 -1.72 121.20 115.78 2zye s ILE 72 Ca 0.11 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.11 2zye s ILE 72 Cb 0.08 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.62 2zye s ILE 72 CO -0.07 0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.75 2zye n GLY 73 N 2.62 -1.27 3.73 6.18 0.00 -0.67 -4.94 105.19 110.83 2zye n GLY 73 Ca -0.15 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 2zye n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2zye s THR 74 N -2.73 4.36 -0.05 2.61 2.01 -1.26 -1.24 115.64 119.34 2zye s THR 74 Ca 0.00 2.00 0.04 0.00 0.31 0.00 0.00 61.69 64.03 2zye s THR 74 Cb 0.00 -4.27 0.00 0.00 0.01 0.00 0.00 72.50 68.24 2zye s THR 74 CO 0.00 0.32 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.41 2zye s VAL 75 N -0.13 1.35 -0.17 3.82 1.01 -0.29 -4.51 120.40 121.49 2zye s VAL 75 Ca 0.47 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 2zye s VAL 75 Cb -0.25 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 2zye s VAL 75 CO 0.31 0.40 0.10 -0.76 0.00 0.00 0.00 175.10 175.14 2zye s LEU 76 N 0.27 4.06 -0.09 3.92 1.43 0.04 -1.06 118.68 127.25 2zye s LEU 76 Ca -0.09 0.22 0.03 0.00 -1.03 0.00 0.00 54.13 53.27 2zye s LEU 76 Cb -0.13 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 2zye s LEU 76 CO 0.03 0.25 -0.19 -0.69 0.23 0.00 0.00 176.35 175.98 2zye s VAL 77 N -0.05 2.56 -0.55 -1.59 1.01 0.19 -0.67 120.40 121.30 2zye s VAL 77 Ca 0.08 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.20 2zye s VAL 77 Cb -0.12 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.26 2zye s VAL 77 CO 0.00 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.27 2zye n GLY 78 N 3.14 -1.23 2.55 4.51 0.00 -0.55 -1.01 105.19 112.60 2zye n GLY 78 Ca -0.18 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 2zye n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2zye n PRO 79 N 0.00 3.40 -3.29 1.61 -0.04 -1.26 -3.01 135.00 132.41 2zye n PRO 79 Ca 0.00 -2.59 -0.34 0.00 -0.04 0.00 0.00 63.50 60.53 2zye n PRO 79 Cb 0.00 -3.01 -0.06 0.00 -0.04 0.00 0.00 33.50 30.39 2zye n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2zye s THR 80 N 2.19 4.79 -0.75 0.52 -1.32 -1.26 -4.98 115.64 114.83 2zye s THR 80 Ca 0.56 0.84 0.26 0.00 -1.21 0.00 0.00 61.69 62.13 2zye s THR 80 Cb 0.16 -3.70 0.18 0.00 -1.51 0.00 0.00 72.50 67.63 2zye s THR 80 CO -0.07 0.07 1.62 -0.81 -2.21 0.00 0.00 174.62 173.22 2zye n PRO 81 N 0.32 0.22 -3.89 7.08 -0.04 -1.26 -4.64 135.00 132.79 2zye n PRO 81 Ca -0.02 0.13 -0.11 0.00 -0.04 0.00 0.00 63.50 63.46 2zye n PRO 81 Cb 0.52 -1.71 -0.13 0.00 -0.04 0.00 0.00 33.50 32.14 2zye n PRO 81 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2zye s VAL 82 N -3.10 0.02 0.08 0.52 1.01 -1.26 -5.09 120.40 112.57 2zye s VAL 82 Ca 0.10 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.60 2zye s VAL 82 Cb 0.14 -0.08 -0.05 0.00 0.00 0.00 0.00 36.38 36.39 2zye s VAL 82 CO 0.64 -0.10 1.03 0.20 0.00 0.00 0.00 175.10 176.87 2zye s ASN 83 N -0.29 7.35 -0.12 3.32 0.01 -1.26 -4.79 114.94 119.16 2zye s ASN 83 Ca -0.03 1.83 0.01 0.00 -0.71 0.00 0.00 52.86 53.96 2zye s ASN 83 Cb -0.02 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.07 2zye s ASN 83 CO -0.00 -0.22 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.59 2zye s ILE 84 N 0.46 1.52 -0.37 0.60 -1.09 0.38 -0.69 121.20 122.01 2zye s ILE 84 Ca 0.51 -0.63 -0.18 0.00 -2.23 0.00 0.00 60.65 58.12 2zye s ILE 84 Cb -0.25 -1.40 0.00 0.00 -1.58 0.00 0.00 42.46 39.23 2zye s ILE 84 CO 0.30 0.45 0.48 -0.63 -1.23 0.00 0.00 174.94 174.31 2zye s ILE 85 N 1.18 5.04 0.30 2.92 -1.09 -0.01 -1.36 121.20 128.18 2zye s ILE 85 Ca -0.02 0.12 0.05 0.00 -2.23 0.00 0.00 60.65 58.57 2zye s ILE 85 Cb -0.14 -3.98 0.05 0.00 -1.58 0.00 0.00 42.46 36.81 2zye s ILE 85 CO -0.05 -0.28 0.38 0.61 -1.23 0.00 0.00 174.94 174.38 2zye n GLY 86 N 4.91 2.13 0.24 6.18 0.00 -1.22 -1.02 105.19 116.41 2zye n GLY 86 Ca -0.06 -2.19 0.05 0.00 0.00 0.00 0.00 46.02 43.82 2zye n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2zye h ARG 87 N 0.00 0.08 -0.18 1.61 3.08 -1.10 -1.31 114.38 116.56 2zye h ARG 87 Ca -0.15 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 59.94 2zye h ARG 87 Cb 0.66 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 2zye h ARG 87 CO 0.22 0.20 0.13 -2.95 -1.07 0.00 0.00 179.97 176.50 2zye h ASN 88 N 0.08 0.00 0.00 7.04 -1.07 -1.80 -2.02 115.58 117.81 2zye h ASN 88 Ca 0.02 0.00 -0.21 0.00 0.07 0.00 0.00 56.30 56.18 2zye h ASN 88 Cb 0.25 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.46 2zye h ASN 88 CO 0.02 0.00 -2.06 0.18 0.07 0.00 0.00 177.43 175.63 2zye n LEU 89 N -4.45 0.00 -0.20 6.14 4.77 -0.87 -4.48 117.00 117.92 2zye n LEU 89 Ca 0.01 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.95 2zye n LEU 89 Cb 0.27 0.28 0.14 0.00 -2.33 0.00 0.00 43.42 41.78 2zye n LEU 89 CO 0.35 0.28 1.01 -0.07 -1.33 0.00 0.00 177.39 177.62 2zye h LEU 90 N 0.00 0.91 -0.94 2.23 3.38 -1.00 -1.42 115.31 118.47 2zye h LEU 90 Ca -0.31 -0.16 0.14 0.00 0.09 0.00 0.00 57.88 57.64 2zye h LEU 90 Cb 1.65 -0.24 -0.09 0.00 0.09 0.00 0.00 40.66 42.07 2zye h LEU 90 CO 0.02 0.85 0.56 0.71 0.09 0.00 0.00 178.44 180.67 2zye h THR 91 N 0.95 0.83 0.00 0.22 1.35 -1.60 -1.98 112.91 112.68 2zye h THR 91 Ca 0.21 -0.28 -0.07 0.00 -0.55 0.00 0.00 66.41 65.72 2zye h THR 91 Cb 0.27 -0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 66.60 2zye h THR 91 CO -0.01 0.15 -0.32 1.56 -0.25 0.00 0.00 175.52 176.66 2zye h GLN 92 N 0.83 0.00 -0.29 4.72 1.08 -1.48 -2.18 115.11 117.79 2zye h GLN 92 Ca 0.49 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.69 2zye h GLN 92 Cb 0.60 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 2zye h GLN 92 CO -0.31 0.32 0.00 0.44 -0.95 0.00 0.00 178.83 178.32 2zye n ILE 93 N -3.41 0.37 -1.78 2.54 -5.35 -1.14 -4.95 119.36 105.64 2zye n ILE 93 Ca 0.00 -0.50 -0.05 0.00 -0.27 0.00 0.00 62.75 61.93 2zye n ILE 93 Cb 0.51 0.50 -0.01 0.00 -1.74 0.00 0.00 39.64 38.90 2zye n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2zye n GLY 94 N 1.24 0.36 3.75 3.28 0.00 -0.82 -5.02 105.19 107.98 2zye n GLY 94 Ca 0.17 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 2zye n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zye s ALA 95 N -2.24 3.43 0.12 4.61 0.00 -0.76 -5.04 121.76 121.87 2zye s ALA 95 Ca 0.00 0.94 0.04 0.00 0.00 0.00 0.00 51.96 52.94 2zye s ALA 95 Cb 0.00 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 2zye s ALA 95 CO 0.00 -0.31 -0.10 0.95 0.00 0.00 0.00 175.76 176.30 2zye s THR 96 N -0.49 1.03 -0.17 0.00 -4.23 -1.26 -4.76 115.64 105.76 2zye s THR 96 Ca 0.50 -1.84 -0.07 0.00 -1.18 0.00 0.00 61.69 59.10 2zye s THR 96 Cb -0.33 -1.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.88 2zye s THR 96 CO 0.39 -0.65 0.08 -0.76 -0.54 0.00 0.00 174.62 173.14 2zye s LEU 97 N -2.78 3.95 -0.05 4.79 1.43 -1.26 -5.09 118.68 119.66 2zye s LEU 97 Ca 0.11 0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 2zye s LEU 97 Cb -0.00 -1.99 0.01 0.00 0.03 0.00 0.00 46.19 44.24 2zye s LEU 97 CO -0.00 0.23 -0.10 0.20 0.23 0.00 0.00 176.35 176.90 2zye s ASN 98 N 0.05 1.52 0.00 2.29 -0.87 -1.26 -5.30 114.94 111.36 2zye s ASN 98 Ca 0.07 -0.25 0.00 0.00 -1.57 0.00 0.00 52.86 51.11 2zye s ASN 98 Cb -0.12 -0.65 0.00 0.00 -0.02 0.00 0.00 41.25 40.47 2zye s ASN 98 CO 0.00 0.03 0.00 2.22 -2.57 0.00 0.00 177.10 176.78