#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2azb s GLN 2 N 0.00 3.64 -0.12 0.54 0.74 -1.26 -5.08 119.66 118.13 2azb s GLN 2 Ca 0.00 -0.19 0.01 0.00 0.05 0.00 0.00 55.36 55.23 2azb s GLN 2 Cb 0.00 -3.22 0.02 0.00 1.10 0.00 0.00 33.01 30.91 2azb s GLN 2 CO 0.00 0.61 -0.15 0.42 -0.55 0.00 0.00 175.29 175.62 2azb s ILE 3 N -0.54 1.51 0.71 -2.34 1.01 -1.26 -5.14 121.20 115.16 2azb s ILE 3 Ca 0.12 -0.64 -0.07 0.00 0.00 0.00 0.00 60.65 60.06 2azb s ILE 3 Cb -0.12 -1.39 0.06 0.00 0.01 0.00 0.00 42.46 41.02 2azb s ILE 3 CO 0.02 0.45 1.03 0.42 0.00 0.00 0.00 174.94 176.86 2azb s THR 4 N 1.10 2.25 -0.23 2.92 -4.23 -1.26 -5.03 115.64 111.16 2azb s THR 4 Ca -0.04 -0.24 0.13 0.00 -1.18 0.00 0.00 61.69 60.35 2azb s THR 4 Cb -0.14 -3.00 0.48 0.00 1.34 0.00 0.00 72.50 71.18 2azb s THR 4 CO -0.04 -0.00 1.40 0.18 -0.54 0.00 0.00 174.62 175.63 2azb n LEU 5 N -2.96 3.77 0.11 4.79 4.77 -1.26 -4.55 117.00 121.66 2azb n LEU 5 Ca 0.08 -3.47 0.01 0.00 -0.03 0.00 0.00 56.01 52.59 2azb n LEU 5 Cb 0.61 -0.58 0.33 0.00 -2.33 0.00 0.00 43.42 41.44 2azb n LEU 5 CO 0.53 1.03 0.80 -0.50 -1.33 0.00 0.00 177.39 177.92 2azb h TRP 6 N 1.13 0.26 -2.24 -1.77 4.06 -2.07 -3.43 115.95 111.90 2azb h TRP 6 Ca 0.12 -0.04 -0.56 0.00 2.06 0.00 0.00 58.89 60.46 2azb h TRP 6 Cb 1.48 -0.07 -0.14 0.00 -1.00 0.00 0.00 29.16 29.44 2azb h TRP 6 CO 0.74 0.46 -0.67 -1.59 -3.56 0.00 0.00 178.44 173.82 2azb s LYS 7 N -4.52 1.72 0.28 0.49 -2.85 -1.26 -5.09 119.74 108.50 2azb s LYS 7 Ca -0.05 -1.89 -0.30 0.00 -1.00 0.00 0.00 55.97 52.73 2azb s LYS 7 Cb 0.15 -1.44 -0.13 0.00 -2.06 0.00 0.00 37.83 34.35 2azb s LYS 7 CO 0.75 0.07 1.36 0.54 0.10 0.00 0.00 175.35 178.16 2azb n ARG 8 N -0.72 2.07 -2.18 1.78 1.74 -1.26 -4.84 116.66 113.25 2azb n ARG 8 Ca -0.05 0.73 -0.43 0.00 -0.77 0.00 0.00 57.85 57.34 2azb n ARG 8 Cb 0.64 -2.36 0.00 0.00 -1.02 0.00 0.00 32.46 29.72 2azb n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2azb n PRO 9 N 1.47 3.09 -3.21 5.56 -0.04 -1.26 -4.96 135.00 135.65 2azb n PRO 9 Ca 0.09 -3.03 -0.39 0.00 -0.04 0.00 0.00 63.50 60.14 2azb n PRO 9 Cb 0.33 -3.30 -0.06 0.00 -0.04 0.00 0.00 33.50 30.43 2azb n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2azb s LEU 10 N 2.59 4.53 0.13 1.53 1.43 -1.26 -1.30 118.68 126.33 2azb s LEU 10 Ca 0.48 1.33 0.03 0.00 -1.03 0.00 0.00 54.13 54.94 2azb s LEU 10 Cb 0.09 -2.97 -0.04 0.00 0.03 0.00 0.00 46.19 43.29 2azb s LEU 10 CO -0.01 0.25 -0.07 0.68 0.23 0.00 0.00 176.35 177.43 2azb s VAL 11 N -1.04 0.86 0.11 -1.59 -7.23 0.68 -4.93 120.40 107.26 2azb s VAL 11 Ca 0.30 -1.99 -0.14 0.00 -1.81 0.00 0.00 61.98 58.35 2azb s VAL 11 Cb -0.20 -1.82 -0.06 0.00 0.56 0.00 0.00 36.38 34.85 2azb s VAL 11 CO 0.20 -0.76 0.50 0.42 -0.31 0.00 0.00 175.10 175.16 2azb s THR 12 N -3.52 4.92 0.11 5.32 -4.23 -1.26 -0.63 115.64 116.35 2azb s THR 12 Ca 0.16 0.78 0.05 0.00 -1.18 0.00 0.00 61.69 61.50 2azb s THR 12 Cb 0.04 -3.73 -0.04 0.00 1.34 0.00 0.00 72.50 70.12 2azb s THR 12 CO -0.01 0.32 -0.14 0.27 -0.54 0.00 0.00 174.62 174.52 2azb s ILE 13 N -1.37 1.25 -0.13 2.99 -4.36 0.68 -0.88 121.20 119.38 2azb s ILE 13 Ca 0.34 -1.64 0.02 0.00 -0.26 0.00 0.00 60.65 59.12 2azb s ILE 13 Cb -0.15 -1.43 0.01 0.00 1.25 0.00 0.00 42.46 42.14 2azb s ILE 13 CO 0.18 -0.40 -0.20 -0.75 0.24 0.00 0.00 174.94 174.02 2azb s LYS 14 N -2.52 2.77 -0.08 0.37 2.20 -0.28 -1.29 119.74 120.90 2azb s LYS 14 Ca 0.07 -0.76 -0.05 0.00 -0.36 0.00 0.00 55.97 54.86 2azb s LYS 14 Cb -0.06 -2.26 0.03 0.00 -1.51 0.00 0.00 37.83 34.04 2azb s LYS 14 CO 0.02 -0.03 0.20 -1.50 -0.36 0.00 0.00 175.35 173.69 2azb s ILE 15 N 0.87 -0.03 -1.49 5.43 2.07 -0.11 -1.35 121.20 126.59 2azb s ILE 15 Ca -0.07 0.11 -0.12 0.00 -1.41 0.00 0.00 60.65 59.16 2azb s ILE 15 Cb -0.15 -0.31 0.06 0.00 0.13 0.00 0.00 42.46 42.20 2azb s ILE 15 CO -0.02 0.04 0.98 0.61 -1.91 0.00 0.00 174.94 174.65 2azb n GLY 16 N 3.81 -0.51 3.14 1.50 0.00 -1.26 -1.17 105.19 110.70 2azb n GLY 16 Ca -0.21 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2azb n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2azb n GLY 17 N -1.73 0.41 3.70 -0.02 0.00 -1.26 -5.01 105.19 101.29 2azb n GLY 17 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 2azb n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2azb s GLN 18 N -0.68 2.55 -0.15 1.61 -0.21 -0.31 -5.12 119.66 117.35 2azb s GLN 18 Ca 0.00 -0.99 -0.03 0.00 0.02 0.00 0.00 55.36 54.36 2azb s GLN 18 Cb 0.00 -2.47 -0.03 0.00 1.00 0.00 0.00 33.01 31.51 2azb s GLN 18 CO 0.00 0.48 -0.04 -0.51 -2.12 0.00 0.00 175.29 173.10 2azb s LEU 19 N -2.82 3.24 0.18 2.90 1.43 -1.26 -0.93 118.68 121.42 2azb s LEU 19 Ca 0.28 -0.12 -0.04 0.00 -1.03 0.00 0.00 54.13 53.23 2azb s LEU 19 Cb -0.10 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 2azb s LEU 19 CO 0.20 0.19 0.17 -0.54 0.23 0.00 0.00 176.35 176.60 2azb s LYS 20 N 0.23 1.15 0.04 1.70 1.02 -0.41 -4.98 119.74 118.48 2azb s LYS 20 Ca -0.03 -1.45 0.01 0.00 0.02 0.00 0.00 55.97 54.52 2azb s LYS 20 Cb -0.14 0.30 -0.04 0.00 -0.52 0.00 0.00 37.83 37.43 2azb s LYS 20 CO 0.03 -0.38 0.08 -1.21 -0.92 0.00 0.00 175.35 172.94 2azb s GLU 21 N -4.08 2.96 -0.01 1.68 0.41 -1.26 -0.23 118.70 118.17 2azb s GLU 21 Ca 0.29 -0.60 -0.17 0.00 -0.41 0.00 0.00 54.97 54.08 2azb s GLU 21 Cb 0.06 -2.78 0.03 0.00 -1.78 0.00 0.00 34.13 29.66 2azb s GLU 21 CO 0.07 0.60 0.37 0.00 -0.49 0.00 0.00 175.26 175.81 2azb s ALA 22 N -1.29 -0.94 -0.15 5.21 0.00 0.20 -4.47 121.76 120.32 2azb s ALA 22 Ca 0.26 0.44 -0.21 0.00 0.00 0.00 0.00 51.96 52.45 2azb s ALA 22 Cb -0.12 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 2azb s ALA 22 CO 0.18 -0.31 0.60 -1.17 0.00 0.00 0.00 175.76 175.06 2azb s LEU 23 N -1.44 4.21 -0.39 0.00 2.96 -0.49 -0.23 118.68 123.30 2azb s LEU 23 Ca -0.12 0.90 -0.29 0.00 -0.22 0.00 0.00 54.13 54.40 2azb s LEU 23 Cb -0.04 -2.88 0.01 0.00 0.50 0.00 0.00 46.19 43.79 2azb s LEU 23 CO 0.04 -0.17 1.26 -0.76 -1.32 0.00 0.00 176.35 175.40 2azb s LEU 24 N 1.33 3.73 -0.35 -0.68 1.43 -0.42 -0.68 118.68 123.04 2azb s LEU 24 Ca 0.30 0.85 0.04 0.00 -1.03 0.00 0.00 54.13 54.29 2azb s LEU 24 Cb -0.16 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.62 2azb s LEU 24 CO 0.12 -1.21 0.06 -0.62 0.23 0.00 0.00 176.35 174.93 2azb s ASP 25 N 2.89 4.74 0.40 2.29 2.15 -0.45 -4.79 116.67 123.90 2azb s ASP 25 Ca 0.54 -2.20 0.28 0.00 0.43 0.00 0.00 52.55 51.61 2azb s ASP 25 Cb -0.12 -1.63 1.34 0.00 -0.30 0.00 0.00 42.92 42.21 2azb s ASP 25 CO 0.28 -0.37 1.85 0.71 -0.17 0.00 0.00 175.17 177.46 2azb h THR 26 N 6.56 0.00 -0.39 1.71 1.35 -1.93 -2.58 112.91 117.63 2azb h THR 26 Ca -0.04 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 2azb h THR 26 Cb 1.01 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 2azb h THR 26 CO 0.53 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 2azb n GLY 27 N -0.55 0.99 3.29 5.82 0.00 -1.26 -4.79 105.19 108.69 2azb n GLY 27 Ca -0.00 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 2azb n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2azb s ALA 28 N -1.49 2.55 0.22 4.61 0.00 -0.97 -4.98 121.76 121.71 2azb s ALA 28 Ca 0.31 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.22 2azb s ALA 28 Cb 0.17 -1.27 0.21 0.00 0.00 0.00 0.00 23.12 22.23 2azb s ALA 28 CO 0.23 -0.02 1.60 -0.44 0.00 0.00 0.00 175.76 177.12 2azb h ASP 29 N 7.28 0.63 -2.03 0.00 3.32 -1.87 0.11 116.42 123.87 2azb h ASP 29 Ca -0.32 -0.27 -0.59 0.00 0.02 0.00 0.00 57.03 55.87 2azb h ASP 29 Cb 1.19 -0.18 -0.13 0.00 0.22 0.00 0.00 39.33 40.43 2azb h ASP 29 CO 0.57 0.94 -0.57 1.51 -1.72 0.00 0.00 179.24 179.98 2azb s ASP 30 N -6.84 3.34 -0.21 6.45 3.84 -1.26 -2.40 116.67 119.60 2azb s ASP 30 Ca -0.08 -1.49 -0.10 0.00 -0.00 0.00 0.00 52.55 50.88 2azb s ASP 30 Cb 0.12 0.05 -0.05 0.00 -1.38 0.00 0.00 42.92 41.67 2azb s ASP 30 CO 0.83 -0.67 0.15 -0.89 -0.00 0.00 0.00 175.17 174.59 2azb s THR 31 N -2.99 5.39 -0.13 2.11 2.01 -1.26 -3.26 115.64 117.51 2azb s THR 31 Ca 0.27 0.21 0.01 0.00 0.31 0.00 0.00 61.69 62.48 2azb s THR 31 Cb 0.06 -3.49 0.02 0.00 0.01 0.00 0.00 72.50 69.11 2azb s THR 31 CO 0.13 0.41 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.65 2azb s VAL 32 N 0.53 1.44 0.23 3.82 1.01 -0.56 -0.80 120.40 126.06 2azb s VAL 32 Ca 0.08 -0.57 0.11 0.00 0.00 0.00 0.00 61.98 61.61 2azb s VAL 32 Cb -0.12 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 2azb s VAL 32 CO -0.00 0.43 -0.17 -0.76 0.00 0.00 0.00 175.10 174.60 2azb s LEU 33 N 1.38 2.67 1.06 3.92 1.43 0.79 -0.23 118.68 129.70 2azb s LEU 33 Ca 0.02 -0.85 -0.12 0.00 -1.03 0.00 0.00 54.13 52.14 2azb s LEU 33 Cb -0.13 -1.29 0.22 0.00 0.03 0.00 0.00 46.19 45.02 2azb s LEU 33 CO -0.08 0.08 1.07 -1.83 0.23 0.00 0.00 176.35 175.82 2azb s GLU 34 N -3.10 -0.07 0.22 1.70 -1.05 -1.26 -1.73 118.70 113.40 2azb s GLU 34 Ca 0.26 0.70 -0.31 0.00 -0.15 0.00 0.00 54.97 55.47 2azb s GLU 34 Cb -0.07 -1.66 -0.15 0.00 -0.44 0.00 0.00 34.13 31.81 2azb s GLU 34 CO 0.14 -3.12 1.03 0.39 0.95 0.00 0.00 175.26 174.65 2azb n GLU 35 N -4.47 1.08 -3.61 -4.83 -0.58 -1.23 -4.65 120.64 102.34 2azb n GLU 35 Ca 0.05 0.38 -0.01 0.00 -0.42 0.00 0.00 57.16 57.16 2azb n GLU 35 Cb 0.56 -1.77 -0.01 0.00 -0.57 0.00 0.00 31.44 29.64 2azb n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2azb s MET 36 N -0.89 0.18 0.05 3.49 0.23 -1.26 -5.08 119.30 116.02 2azb s MET 36 Ca 0.67 -0.08 0.03 0.00 -1.03 0.00 0.00 55.69 55.28 2azb s MET 36 Cb -0.81 0.07 -0.04 0.00 -1.53 0.00 0.00 34.83 32.52 2azb s MET 36 CO 0.56 -0.08 0.01 0.54 -2.03 0.00 0.00 175.02 174.02 2azb s ASN 37 N -2.48 5.14 0.18 -1.18 2.20 -1.26 -5.06 114.94 112.49 2azb s ASN 37 Ca 0.12 -0.09 0.02 0.00 -0.94 0.00 0.00 52.86 51.98 2azb s ASN 37 Cb 0.02 -1.30 -0.05 0.00 -2.00 0.00 0.00 41.25 37.93 2azb s ASN 37 CO -0.04 0.21 0.01 -0.76 -2.94 0.00 0.00 177.10 173.58 2azb s LEU 38 N -2.04 2.09 0.30 3.54 1.43 -1.26 -4.97 118.68 117.77 2azb s LEU 38 Ca 0.24 -1.19 -0.21 0.00 -1.03 0.00 0.00 54.13 51.94 2azb s LEU 38 Cb -0.12 -0.08 -0.09 0.00 0.03 0.00 0.00 46.19 45.94 2azb s LEU 38 CO 0.16 -0.57 0.83 -2.16 0.23 0.00 0.00 176.35 174.84 2azb s PRO 39 N -3.92 4.33 0.09 1.29 0.04 -1.26 -4.95 135.00 130.62 2azb s PRO 39 Ca 0.25 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.32 2azb s PRO 39 Cb 0.06 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 31.90 2azb s PRO 39 CO 0.05 0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.77 2azb n GLY 40 N 0.34 -2.90 3.89 0.56 0.00 -1.26 -4.83 105.19 100.99 2azb n GLY 40 Ca 0.01 -1.98 -0.29 0.00 0.00 0.00 0.00 46.02 43.76 2azb n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2azb s ARG 41 N -0.50 3.08 -0.01 1.61 6.06 -1.26 -5.08 118.95 122.86 2azb s ARG 41 Ca 0.00 0.41 -0.04 0.00 -2.50 0.00 0.00 55.73 53.59 2azb s ARG 41 Cb 0.00 -2.11 -0.00 0.00 0.06 0.00 0.00 34.95 32.90 2azb s ARG 41 CO 0.00 -0.80 0.09 1.67 -2.50 0.00 0.00 175.30 173.76 2azb s TRP 42 N -3.20 0.04 -0.02 5.12 1.48 -1.26 -4.51 118.94 116.58 2azb s TRP 42 Ca 0.56 -0.08 0.07 0.00 -1.06 0.00 0.00 56.10 55.58 2azb s TRP 42 Cb -0.11 -0.05 -0.02 0.00 -1.16 0.00 0.00 33.47 32.14 2azb s TRP 42 CO 0.50 -0.19 -0.22 -1.59 -4.06 0.00 0.00 176.95 171.40 2azb s LYS 43 N -0.92 1.85 0.52 3.25 0.00 -0.90 -4.89 119.74 118.65 2azb s LYS 43 Ca -0.10 -0.78 -0.22 0.00 0.00 0.00 0.00 55.97 54.87 2azb s LYS 43 Cb -0.06 -1.75 -0.07 0.00 0.00 0.00 0.00 37.83 35.95 2azb s LYS 43 CO 0.01 0.45 1.11 -2.30 0.00 0.00 0.00 175.35 174.62 2azb n PRO 44 N 2.62 1.35 -3.55 1.78 -0.02 -1.26 -1.52 135.00 134.40 2azb n PRO 44 Ca -0.16 0.50 -0.17 0.00 -2.02 0.00 0.00 63.50 61.65 2azb n PRO 44 Cb 0.52 -2.27 -0.06 0.00 -0.02 0.00 0.00 33.50 31.67 2azb n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2azb s LYS 45 N -2.53 1.02 -0.03 -0.52 2.20 -0.01 -4.84 119.74 115.04 2azb s LYS 45 Ca 0.70 0.20 0.04 0.00 -0.36 0.00 0.00 55.97 56.55 2azb s LYS 45 Cb -0.46 0.48 -0.03 0.00 -1.51 0.00 0.00 37.83 36.31 2azb s LYS 45 CO 0.52 -0.32 -0.14 0.42 -0.36 0.00 0.00 175.35 175.47 2azb s ILE 46 N -1.23 3.07 0.08 5.43 1.09 -1.26 -1.64 121.20 126.73 2azb s ILE 46 Ca -0.11 -0.82 0.08 0.00 -1.10 0.00 0.00 60.65 58.70 2azb s ILE 46 Cb -0.01 -2.23 -0.03 0.00 -1.06 0.00 0.00 42.46 39.13 2azb s ILE 46 CO 0.09 0.52 -0.22 0.27 -0.10 0.00 0.00 174.94 175.50 2azb s ILE 47 N -0.80 1.81 0.50 2.92 -4.36 -1.12 -4.90 121.20 115.25 2azb s ILE 47 Ca 0.13 -1.46 0.08 0.00 -0.26 0.00 0.00 60.65 59.13 2azb s ILE 47 Cb -0.11 -1.61 0.03 0.00 1.25 0.00 0.00 42.46 42.03 2azb s ILE 47 CO 0.02 0.07 0.56 -0.83 0.24 0.00 0.00 174.94 175.00 2azb s GLY 48 N -1.66 2.02 0.00 6.27 0.00 -1.26 -0.65 107.32 112.03 2azb s GLY 48 Ca 0.08 -1.80 0.00 0.00 0.00 0.00 0.00 44.72 43.01 2azb s GLY 48 CO 0.04 -1.71 0.00 0.61 0.00 0.00 0.00 173.10 172.04 2azb n GLY 49 N -1.89 -0.61 0.06 0.20 0.00 -1.26 -4.91 105.19 96.78 2azb n GLY 49 Ca 0.07 -0.62 -0.04 0.00 0.00 0.00 0.00 46.02 45.43 2azb n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2azb n ILE 50 N 5.29 1.07 -0.07 -0.61 5.41 -1.26 -5.18 119.36 124.01 2azb n ILE 50 Ca 0.00 0.27 -0.12 0.00 1.00 0.00 0.00 62.75 63.90 2azb n ILE 50 Cb 0.00 -2.15 -0.05 0.00 -0.71 0.00 0.00 39.64 36.72 2azb n ILE 50 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2azb h GLY 51 N -0.74 0.42 -2.83 7.39 0.00 -2.03 -3.57 103.07 101.71 2azb h GLY 51 Ca 0.00 -0.34 0.38 0.00 0.00 0.00 0.00 47.33 47.37 2azb h GLY 51 CO 0.00 0.31 0.95 -1.50 0.00 0.00 0.00 176.54 176.30 2azb s ILE 54 N -4.82 0.00 -0.43 2.60 2.07 0.17 -5.27 121.20 115.51 2azb s ILE 54 Ca -0.14 -0.07 -0.27 0.00 -1.41 0.00 0.00 60.65 58.76 2azb s ILE 54 Cb 0.07 -2.11 0.02 0.00 0.13 0.00 0.00 42.46 40.58 2azb s ILE 54 CO 0.74 0.00 1.02 -1.59 -1.91 0.00 0.00 174.94 173.21 2azb s LYS 55 N -2.12 3.73 0.08 3.50 -2.85 -1.26 -2.81 119.74 118.02 2azb s LYS 55 Ca 0.17 0.50 0.05 0.00 -1.00 0.00 0.00 55.97 55.69 2azb s LYS 55 Cb 0.06 -3.87 -0.03 0.00 -2.06 0.00 0.00 37.83 31.93 2azb s LYS 55 CO -0.06 -1.19 -0.13 0.14 0.10 0.00 0.00 175.35 174.21 2azb s VAL 56 N 3.96 1.11 -0.04 1.79 -7.23 -0.65 -4.37 120.40 114.96 2azb s VAL 56 Ca 0.42 -1.43 -0.12 0.00 -1.81 0.00 0.00 61.98 59.04 2azb s VAL 56 Cb -0.10 -1.19 -0.05 0.00 0.56 0.00 0.00 36.38 35.60 2azb s VAL 56 CO 0.26 -0.32 0.31 -0.13 -0.31 0.00 0.00 175.10 174.91 2azb s ARG 57 N -2.08 3.75 -0.13 4.82 0.52 -0.84 -0.83 118.95 124.15 2azb s ARG 57 Ca 0.01 0.21 -0.02 0.00 -0.52 0.00 0.00 55.73 55.41 2azb s ARG 57 Cb -0.08 -3.21 -0.03 0.00 0.52 0.00 0.00 34.95 32.15 2azb s ARG 57 CO 0.02 0.72 -0.06 -1.14 0.02 0.00 0.00 175.30 174.86 2azb s GLN 58 N -1.04 3.45 0.02 3.54 0.74 -0.57 -0.54 119.66 125.25 2azb s GLN 58 Ca 0.20 -0.55 0.08 0.00 0.05 0.00 0.00 55.36 55.15 2azb s GLN 58 Cb -0.15 -2.81 -0.02 0.00 1.10 0.00 0.00 33.01 31.13 2azb s GLN 58 CO 0.10 0.32 -0.24 0.71 -0.55 0.00 0.00 175.29 175.63 2azb s TYR 59 N 0.12 2.17 0.29 1.67 1.51 -0.20 -2.12 117.35 120.79 2azb s TYR 59 Ca -0.02 -0.40 0.10 0.00 -1.01 0.00 0.00 57.07 55.73 2azb s TYR 59 Cb -0.14 -1.34 -0.05 0.00 -0.11 0.00 0.00 41.96 40.32 2azb s TYR 59 CO 0.03 0.05 -0.03 -0.51 -1.11 0.00 0.00 175.55 173.98 2azb s ASP 60 N -0.93 4.31 -1.55 2.29 1.01 -1.26 -0.96 116.67 119.57 2azb s ASP 60 Ca 0.10 -0.79 -0.12 0.00 0.71 0.00 0.00 52.55 52.45 2azb s ASP 60 Cb -0.09 -0.68 0.09 0.00 1.01 0.00 0.00 42.92 43.25 2azb s ASP 60 CO 0.01 -0.05 0.80 1.67 0.21 0.00 0.00 175.17 177.81 2azb n GLN 61 N -0.87 -4.33 -3.21 8.23 -0.06 -1.18 -4.89 117.38 111.07 2azb n GLN 61 Ca -0.06 0.49 -0.39 0.00 -2.00 0.00 0.00 57.00 55.05 2azb n GLN 61 Cb 0.60 -5.18 -0.05 0.00 -4.06 0.00 0.00 30.24 21.55 2azb n GLN 61 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2azb s ILE 62 N -3.44 5.10 0.01 1.69 -1.09 0.37 -4.67 121.20 119.17 2azb s ILE 62 Ca 0.52 1.16 -0.29 0.00 -2.23 0.00 0.00 60.65 59.81 2azb s ILE 62 Cb -0.27 -3.91 -0.03 0.00 -1.58 0.00 0.00 42.46 36.66 2azb s ILE 62 CO 0.87 0.32 0.95 -0.22 -1.23 0.00 0.00 174.94 175.63 2azb s LEU 63 N 0.54 4.38 -0.01 2.97 2.96 -1.26 -1.12 118.68 127.14 2azb s LEU 63 Ca 0.31 1.62 0.01 0.00 -0.22 0.00 0.00 54.13 55.85 2azb s LEU 63 Cb -0.16 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 43.01 2azb s LEU 63 CO 0.14 -0.22 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.30 2azb s ILE 64 N 0.87 0.20 -0.37 6.68 1.01 -0.02 -4.38 121.20 125.19 2azb s ILE 64 Ca 0.50 -0.07 -0.04 0.00 0.00 0.00 0.00 60.65 61.04 2azb s ILE 64 Cb -0.21 -0.20 0.08 0.00 0.01 0.00 0.00 42.46 42.14 2azb s ILE 64 CO 0.27 0.08 0.14 -0.70 0.00 0.00 0.00 174.94 174.73 2azb s GLU 65 N 0.18 2.28 -0.36 2.79 2.12 -0.46 -0.76 118.70 124.50 2azb s GLU 65 Ca -0.02 -1.53 -0.16 0.00 0.36 0.00 0.00 54.97 53.62 2azb s GLU 65 Cb -0.04 -3.48 -0.01 0.00 0.26 0.00 0.00 34.13 30.87 2azb s GLU 65 CO -0.00 -0.88 0.38 0.42 -0.54 0.00 0.00 175.26 174.64 2azb s ILE 66 N 1.24 5.15 -1.62 -3.70 1.01 -0.11 -1.12 121.20 122.05 2azb s ILE 66 Ca 0.02 -0.02 -0.09 0.00 0.00 0.00 0.00 60.65 60.56 2azb s ILE 66 Cb -0.22 -3.87 0.09 0.00 0.01 0.00 0.00 42.46 38.48 2azb s ILE 66 CO -0.02 -0.16 0.42 0.00 0.00 0.00 0.00 174.94 175.19 2azb n GLY 68 N -1.84 1.56 3.47 0.00 0.00 -1.26 -5.02 105.19 102.10 2azb n GLY 68 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 2azb n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2azb s HIS 69 N -3.17 3.07 0.31 1.61 4.02 0.13 -5.07 115.29 116.20 2azb s HIS 69 Ca 0.00 -0.39 -0.26 0.00 1.02 0.00 0.00 55.06 55.43 2azb s HIS 69 Cb 0.00 -2.12 -0.10 0.00 -1.02 0.00 0.00 32.58 29.34 2azb s HIS 69 CO 0.00 -0.23 0.92 0.15 1.02 0.00 0.00 174.74 176.61 2azb s LYS 70 N 1.09 4.57 0.04 1.40 1.02 -1.26 -0.94 119.74 125.66 2azb s LYS 70 Ca 0.03 1.29 -0.09 0.00 0.02 0.00 0.00 55.97 57.23 2azb s LYS 70 Cb -0.14 -2.83 0.00 0.00 -0.52 0.00 0.00 37.83 34.34 2azb s LYS 70 CO 0.02 0.30 0.18 0.00 -0.92 0.00 0.00 175.35 174.94 2azb s ALA 71 N -1.58 -0.33 -0.03 5.17 0.00 0.06 -4.86 121.76 120.19 2azb s ALA 71 Ca 0.49 -0.30 0.03 0.00 0.00 0.00 0.00 51.96 52.18 2azb s ALA 71 Cb -0.19 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.20 2azb s ALA 71 CO 0.24 -0.35 -0.11 0.42 0.00 0.00 0.00 175.76 175.96 2azb s ILE 72 N -2.49 0.94 -0.20 0.00 1.01 -1.26 -0.84 121.20 118.37 2azb s ILE 72 Ca -0.06 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.16 2azb s ILE 72 Cb -0.01 -0.84 0.00 0.00 0.01 0.00 0.00 42.46 41.62 2azb s ILE 72 CO -0.04 0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.81 2azb n GLY 73 N 3.35 -1.03 3.73 6.18 0.00 -0.27 -4.83 105.19 112.32 2azb n GLY 73 Ca -0.19 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 2azb n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2azb s THR 74 N -3.00 4.23 -0.03 2.61 2.01 -1.26 -0.48 115.64 119.72 2azb s THR 74 Ca 0.00 1.88 0.02 0.00 0.31 0.00 0.00 61.69 63.91 2azb s THR 74 Cb 0.00 -4.20 0.01 0.00 0.01 0.00 0.00 72.50 68.32 2azb s THR 74 CO 0.00 0.30 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.45 2azb s VAL 75 N -0.10 0.85 -0.14 3.82 1.01 -0.13 -4.49 120.40 121.22 2azb s VAL 75 Ca 0.48 -0.37 -0.05 0.00 0.00 0.00 0.00 61.98 62.03 2azb s VAL 75 Cb -0.26 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 2azb s VAL 75 CO 0.32 0.27 0.04 -0.76 0.00 0.00 0.00 175.10 174.97 2azb s LEU 76 N 0.32 3.77 -0.24 3.92 1.43 0.02 -1.03 118.68 126.87 2azb s LEU 76 Ca -0.06 0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 2azb s LEU 76 Cb -0.10 -1.91 0.05 0.00 0.03 0.00 0.00 46.19 44.25 2azb s LEU 76 CO 0.01 0.28 -0.13 -0.69 0.23 0.00 0.00 176.35 176.05 2azb s VAL 77 N -0.29 2.19 0.00 -1.59 1.01 0.30 -0.15 120.40 121.87 2azb s VAL 77 Ca 0.08 -1.44 0.00 0.00 0.00 0.00 0.00 61.98 60.62 2azb s VAL 77 Cb -0.12 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.07 2azb s VAL 77 CO 0.02 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.84 2azb n GLY 78 N 4.49 3.70 2.33 4.51 0.00 -0.70 -1.99 105.19 117.53 2azb n GLY 78 Ca -0.16 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 2azb n GLY 78 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2azb n PRO 79 N 0.00 3.23 -3.21 1.61 -0.02 -1.26 -3.57 135.00 131.78 2azb n PRO 79 Ca 0.00 -2.30 -0.39 0.00 -2.02 0.00 0.00 63.50 58.79 2azb n PRO 79 Cb 0.00 -2.40 -0.06 0.00 -0.02 0.00 0.00 33.50 31.02 2azb n PRO 79 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2azb s THR 80 N -0.12 4.69 -2.00 3.45 -1.32 -1.26 -4.96 115.64 114.12 2azb s THR 80 Ca 0.62 1.32 0.15 0.00 -1.21 0.00 0.00 61.69 62.56 2azb s THR 80 Cb 0.27 -3.95 0.42 0.00 -1.51 0.00 0.00 72.50 67.72 2azb s THR 80 CO -0.10 0.53 1.38 -0.81 -2.21 0.00 0.00 174.62 173.42 2azb n PRO 81 N 1.83 0.74 -3.56 7.08 -0.04 -1.26 -4.66 135.00 135.13 2azb n PRO 81 Ca -0.09 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.23 2azb n PRO 81 Cb 0.50 -1.31 -0.06 0.00 -0.04 0.00 0.00 33.50 32.60 2azb n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2azb s ALA 82 N -2.00 -1.86 0.01 0.55 0.00 -1.26 -5.12 121.76 112.07 2azb s ALA 82 Ca 0.22 1.51 -0.30 0.00 0.00 0.00 0.00 51.96 53.39 2azb s ALA 82 Cb 0.10 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 2azb s ALA 82 CO 0.17 -0.33 1.01 -0.80 0.00 0.00 0.00 175.76 175.80 2azb s ASN 83 N -1.02 7.33 -0.13 0.00 0.02 -1.26 -4.71 114.94 115.18 2azb s ASN 83 Ca -0.05 1.70 0.03 0.00 -1.02 0.00 0.00 52.86 53.51 2azb s ASN 83 Cb -0.01 -2.57 0.01 0.00 0.02 0.00 0.00 41.25 38.70 2azb s ASN 83 CO 0.05 -0.29 -0.21 -0.63 0.02 0.00 0.00 177.10 176.03 2azb s ILE 84 N 1.03 1.99 -0.39 0.60 -1.09 0.68 -1.40 121.20 122.62 2azb s ILE 84 Ca 0.53 -0.94 -0.13 0.00 -2.23 0.00 0.00 60.65 57.87 2azb s ILE 84 Cb -0.22 -1.75 0.02 0.00 -1.58 0.00 0.00 42.46 38.93 2azb s ILE 84 CO 0.28 0.54 0.25 -0.63 -1.23 0.00 0.00 174.94 174.15 2azb s ILE 85 N 0.75 4.97 0.54 2.92 -1.09 0.14 -1.50 121.20 127.93 2azb s ILE 85 Ca -0.09 -0.71 0.01 0.00 -2.23 0.00 0.00 60.65 57.63 2azb s ILE 85 Cb -0.16 -3.75 0.10 0.00 -1.58 0.00 0.00 42.46 37.08 2azb s ILE 85 CO 0.00 -0.25 0.74 0.61 -1.23 0.00 0.00 174.94 174.80 2azb n GLY 86 N 5.09 0.82 0.35 6.18 0.00 -1.20 -1.35 105.19 115.08 2azb n GLY 86 Ca -0.11 -2.03 0.12 0.00 0.00 0.00 0.00 46.02 43.99 2azb n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2azb h ARG 87 N 0.00 0.40 -0.50 1.61 3.08 -0.75 -0.69 114.38 117.54 2azb h ARG 87 Ca -0.24 -0.02 0.13 0.00 0.07 0.00 0.00 59.98 59.92 2azb h ARG 87 Cb 0.92 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 2azb h ARG 87 CO 0.27 0.27 0.35 -2.95 -1.07 0.00 0.00 179.97 176.84 2azb h ASN 88 N 0.42 0.05 0.00 7.04 -1.07 -1.74 -1.75 115.58 118.53 2azb h ASN 88 Ca 0.27 0.00 -0.31 0.00 0.07 0.00 0.00 56.30 56.33 2azb h ASN 88 Cb 0.52 -0.01 -0.06 0.00 -2.07 0.00 0.00 38.32 36.70 2azb h ASN 88 CO -0.07 0.03 -2.27 0.18 0.07 0.00 0.00 177.43 175.37 2azb n LEU 89 N -4.41 0.00 -0.30 6.14 4.77 -0.53 -4.23 117.00 118.44 2azb n LEU 89 Ca 0.09 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.03 2azb n LEU 89 Cb 0.54 0.42 0.08 0.00 -2.33 0.00 0.00 43.42 42.12 2azb n LEU 89 CO 0.36 0.42 1.20 -0.07 -1.33 0.00 0.00 177.39 177.97 2azb h LEU 90 N 0.00 0.98 -1.62 2.23 3.38 -0.72 -0.17 115.31 119.39 2azb h LEU 90 Ca -0.46 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.42 2azb h LEU 90 Cb 2.04 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.54 2azb h LEU 90 CO 0.03 0.74 -0.16 0.71 0.09 0.00 0.00 178.44 179.84 2azb h THR 91 N 1.13 1.13 0.00 0.22 1.35 -1.55 -1.80 112.91 113.39 2azb h THR 91 Ca 0.30 -0.61 -0.07 0.00 -0.55 0.00 0.00 66.41 65.48 2azb h THR 91 Cb -0.08 1.30 -0.01 0.00 -1.73 0.00 0.00 68.15 67.63 2azb h THR 91 CO -0.06 0.18 -0.32 1.56 -0.25 0.00 0.00 175.52 176.63 2azb h GLN 92 N 0.04 0.00 -0.42 4.72 4.20 -1.21 -2.64 115.11 119.79 2azb h GLN 92 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2azb h GLN 92 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2azb h GLN 92 CO 0.02 0.32 0.00 0.44 -0.67 0.00 0.00 178.83 178.94 2azb n ILE 93 N -3.80 0.55 -2.19 2.54 -5.35 -0.83 -4.93 119.36 105.37 2azb n ILE 93 Ca -0.01 -0.66 -0.05 0.00 -0.27 0.00 0.00 62.75 61.76 2azb n ILE 93 Cb 0.40 0.57 0.00 0.00 -1.74 0.00 0.00 39.64 38.88 2azb n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2azb n GLY 94 N 1.38 0.25 3.74 3.28 0.00 -1.00 -5.01 105.19 107.83 2azb n GLY 94 Ca 0.18 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 2azb n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2azb s THR 96 N -0.16 0.74 -0.06 0.00 -4.23 -1.26 -4.67 115.64 105.99 2azb s THR 96 Ca 0.43 -1.78 -0.05 0.00 -1.18 0.00 0.00 61.69 59.11 2azb s THR 96 Cb -0.22 -1.49 -0.04 0.00 1.34 0.00 0.00 72.50 72.08 2azb s THR 96 CO 0.27 -0.75 0.16 -0.76 -0.54 0.00 0.00 174.62 173.00 2azb s LEU 97 N -2.76 4.38 -0.03 4.79 1.43 -1.26 -5.10 118.68 120.13 2azb s LEU 97 Ca 0.08 0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 53.57 2azb s LEU 97 Cb 0.02 -2.36 0.02 0.00 0.03 0.00 0.00 46.19 43.90 2azb s LEU 97 CO -0.03 0.33 0.07 0.20 0.23 0.00 0.00 176.35 177.15 2azb s ASN 98 N -1.51 -0.04 0.00 2.29 0.01 -1.26 -5.29 114.94 109.14 2azb s ASN 98 Ca 0.21 0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.51 2azb s ASN 98 Cb -0.12 0.08 0.00 0.00 0.41 0.00 0.00 41.25 41.62 2azb s ASN 98 CO 0.12 -0.09 0.00 2.22 -1.51 0.00 0.00 177.10 177.84