#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yag n VAL 2 N 0.00 0.05 -2.07 1.12 0.24 -1.26 -4.84 118.33 111.57 1yag n VAL 2 Ca 0.00 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.34 61.62 1yag n VAL 2 Cb 0.00 0.38 -0.03 0.00 -1.47 0.00 0.00 33.84 32.73 1yag n VAL 2 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1yag s VAL 3 N -1.95 3.38 -0.30 3.34 1.01 -1.26 -4.99 120.40 119.63 1yag s VAL 3 Ca 0.37 0.78 0.02 0.00 0.00 0.00 0.00 61.98 63.15 1yag s VAL 3 Cb 0.20 -3.50 0.07 0.00 0.00 0.00 0.00 36.38 33.15 1yag s VAL 3 CO 0.32 -0.01 -0.02 -1.61 0.00 0.00 0.00 175.10 173.78 1yag s GLU 4 N 2.58 2.07 -0.12 2.72 2.02 -1.26 -5.01 118.70 121.70 1yag s GLU 4 Ca 0.69 -1.50 -0.08 0.00 0.02 0.00 0.00 54.97 54.10 1yag s GLU 4 Cb -0.36 -3.09 0.04 0.00 0.10 0.00 0.00 34.13 30.83 1yag s GLU 4 CO 0.29 -0.71 0.30 -1.58 0.02 0.00 0.00 175.26 173.58 1yag s HIS 5 N 1.09 -0.39 0.32 1.61 2.46 -1.26 -5.06 115.29 114.05 1yag s HIS 5 Ca -0.02 0.91 0.05 0.00 0.47 0.00 0.00 55.06 56.48 1yag s HIS 5 Cb -0.20 0.12 0.70 0.00 -0.13 0.00 0.00 32.58 33.07 1yag s HIS 5 CO -0.05 -0.23 1.85 -1.00 -2.47 0.00 0.00 174.74 172.84 1yag h PRO 6 N 6.63 0.80 0.00 2.88 0.13 -1.98 -1.45 132.00 139.01 1yag h PRO 6 Ca -0.34 -0.05 -0.09 0.00 -0.87 0.00 0.00 66.00 64.65 1yag h PRO 6 Cb 1.17 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 1yag h PRO 6 CO 0.34 0.53 -0.43 0.93 -0.23 0.00 0.00 178.00 179.14 1yag h GLU 7 N 0.83 0.00 -0.25 0.86 4.39 -1.97 -2.65 114.58 115.79 1yag h GLU 7 Ca 0.48 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 60.06 1yag h GLU 7 Cb 0.63 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 1yag h GLU 7 CO -0.24 0.43 -0.32 0.74 -1.16 0.00 0.00 179.01 178.46 1yag h PHE 8 N 0.00 0.59 -0.09 4.33 -1.00 -1.68 -1.01 116.94 118.08 1yag h PHE 8 Ca -0.00 -0.15 -0.07 0.00 2.81 0.00 0.00 57.97 60.56 1yag h PHE 8 Cb 0.91 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 40.32 1yag h PHE 8 CO 0.00 0.77 -0.28 -0.07 -1.61 0.00 0.00 178.31 177.13 1yag h LEU 9 N 0.44 0.16 0.00 1.54 3.38 -1.15 -3.00 115.31 116.68 1yag h LEU 9 Ca 0.05 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1yag h LEU 9 Cb 0.77 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1yag h LEU 9 CO 0.06 0.44 -0.73 0.11 0.09 0.00 0.00 178.44 178.42 1yag h LYS 10 N 0.15 0.00 -6.55 1.13 1.57 -1.18 -3.48 116.57 108.21 1yag h LYS 10 Ca 0.02 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.25 1yag h LYS 10 Cb 0.58 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.94 1yag h LYS 10 CO 0.04 0.11 0.96 0.00 -0.57 0.00 0.00 179.45 179.99 1yag n ALA 11 N -2.20 2.05 -3.93 3.86 0.00 -0.43 -3.68 120.51 116.19 1yag n ALA 11 Ca -0.00 0.39 -0.28 0.00 0.00 0.00 0.00 53.44 53.55 1yag n ALA 11 Cb 0.61 -2.48 0.01 0.00 0.00 0.00 0.00 19.45 17.59 1yag n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yag n GLY 12 N 3.86 -0.37 0.14 0.00 0.00 -1.26 -4.91 105.19 102.64 1yag n GLY 12 Ca 0.17 0.15 -0.21 0.00 0.00 0.00 0.00 46.02 46.14 1yag n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yag h LYS 13 N -1.87 0.27 -5.57 1.61 1.79 -1.92 -3.48 116.57 107.41 1yag h LYS 13 Ca -0.60 -0.47 -0.45 0.00 -2.18 0.00 0.00 60.65 56.95 1yag h LYS 13 Cb 1.37 0.17 -0.19 0.00 -1.58 0.00 0.00 32.23 32.01 1yag h LYS 13 CO 0.65 1.19 -0.77 -1.21 -1.08 0.00 0.00 179.45 178.23 1yag s GLU 14 N -2.57 1.04 0.62 3.15 0.41 -1.26 -5.13 118.70 114.97 1yag s GLU 14 Ca -0.20 -1.21 -0.19 0.00 -0.41 0.00 0.00 54.97 52.96 1yag s GLU 14 Cb 0.06 -1.01 -0.02 0.00 -1.78 0.00 0.00 34.13 31.38 1yag s GLU 14 CO 0.79 0.21 1.28 -2.30 -0.49 0.00 0.00 175.26 174.74 1yag n PRO 15 N 0.67 1.23 -1.24 0.39 -0.02 -1.26 -4.79 135.00 129.97 1yag n PRO 15 Ca -0.16 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1yag n PRO 15 Cb 0.56 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1yag n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yag n GLY 16 N 0.92 0.48 3.13 -1.23 0.00 0.37 -4.95 105.19 103.92 1yag n GLY 16 Ca 0.14 -1.61 -0.25 0.00 0.00 0.00 0.00 46.02 44.31 1yag n GLY 16 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1yag s LEU 17 N 0.00 1.97 -0.02 0.99 2.96 -1.26 -0.61 118.68 122.70 1yag s LEU 17 Ca 0.00 -0.31 0.04 0.00 -0.22 0.00 0.00 54.13 53.64 1yag s LEU 17 Cb 0.00 -0.87 -0.01 0.00 0.50 0.00 0.00 46.19 45.81 1yag s LEU 17 CO 0.00 0.17 -0.12 -1.10 -1.32 0.00 0.00 176.35 173.98 1yag s GLN 18 N -0.19 1.14 -0.02 1.98 -0.21 -0.46 -4.99 119.66 116.90 1yag s GLN 18 Ca 0.02 -0.44 0.03 0.00 0.02 0.00 0.00 55.36 54.99 1yag s GLN 18 Cb -0.08 -1.07 0.00 0.00 1.00 0.00 0.00 33.01 32.86 1yag s GLN 18 CO 0.00 0.23 -0.10 0.42 -2.12 0.00 0.00 175.29 173.72 1yag s ILE 19 N -0.11 0.87 0.06 1.08 1.01 -1.26 -0.98 121.20 121.86 1yag s ILE 19 Ca 0.01 -0.42 0.05 0.00 0.00 0.00 0.00 60.65 60.29 1yag s ILE 19 Cb -0.07 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.61 1yag s ILE 19 CO 0.00 0.26 -0.14 0.26 0.00 0.00 0.00 174.94 175.33 1yag s TRP 20 N 0.10 1.18 -0.00 3.97 0.51 0.19 -1.02 118.94 123.87 1yag s TRP 20 Ca -0.02 -0.43 0.02 0.00 -2.12 0.00 0.00 56.10 53.55 1yag s TRP 20 Cb -0.08 -0.67 -0.03 0.00 -0.81 0.00 0.00 33.47 31.87 1yag s TRP 20 CO 0.00 0.04 -0.04 0.50 -0.51 0.00 0.00 176.95 176.95 1yag s ARG 21 N -1.58 2.66 -0.20 4.98 3.52 0.13 -0.37 118.95 128.09 1yag s ARG 21 Ca -0.02 -0.67 -0.28 0.00 -0.13 0.00 0.00 55.73 54.63 1yag s ARG 21 Cb -0.09 -2.58 0.00 0.00 -1.56 0.00 0.00 34.95 30.72 1yag s ARG 21 CO 0.02 0.61 0.98 0.08 -0.81 0.00 0.00 175.30 176.19 1yag s VAL 22 N -1.03 4.74 -0.23 7.11 1.01 -0.33 -0.76 120.40 130.92 1yag s VAL 22 Ca 0.18 1.93 -0.01 0.00 0.00 0.00 0.00 61.98 64.08 1yag s VAL 22 Cb -0.11 -4.27 0.07 0.00 0.00 0.00 0.00 36.38 32.07 1yag s VAL 22 CO 0.08 -0.11 0.00 -1.61 0.00 0.00 0.00 175.10 173.47 1yag s GLU 23 N 2.81 1.14 -1.09 2.72 2.02 -0.38 -4.66 118.70 121.26 1yag s GLU 23 Ca 0.43 -0.83 -0.23 0.00 0.02 0.00 0.00 54.97 54.36 1yag s GLU 23 Cb -0.16 -2.36 0.02 0.00 0.10 0.00 0.00 34.13 31.74 1yag s GLU 23 CO 0.09 -0.68 0.68 1.63 0.02 0.00 0.00 175.26 177.01 1yag n LYS 24 N 4.82 -0.76 -1.07 1.61 5.02 -1.26 -1.71 118.16 124.81 1yag n LYS 24 Ca -0.09 0.35 -0.02 0.00 -2.02 0.00 0.00 58.31 56.53 1yag n LYS 24 Cb 0.45 -2.84 -0.01 0.00 -0.02 0.00 0.00 35.03 32.61 1yag n LYS 24 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1yag n PHE 25 N -4.21 0.00 -4.45 2.13 3.72 -1.26 -4.92 117.46 108.47 1yag n PHE 25 Ca -0.16 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.02 1yag n PHE 25 Cb 0.60 -1.28 -0.10 0.00 -0.94 0.00 0.00 39.48 37.76 1yag n PHE 25 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1yag s ASP 26 N -2.19 3.15 -0.35 4.37 2.15 -0.70 -5.11 116.67 118.00 1yag s ASP 26 Ca 0.00 -1.11 -0.09 0.00 0.43 0.00 0.00 52.55 51.78 1yag s ASP 26 Cb 0.00 -0.24 0.02 0.00 -0.30 0.00 0.00 42.92 42.41 1yag s ASP 26 CO 0.00 -0.17 0.16 -0.22 -0.17 0.00 0.00 175.17 174.77 1yag s LEU 27 N -3.47 4.44 -0.13 -1.34 2.96 -1.26 -1.25 118.68 118.63 1yag s LEU 27 Ca 0.29 -0.93 0.00 0.00 -0.22 0.00 0.00 54.13 53.27 1yag s LEU 27 Cb 0.00 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 1yag s LEU 27 CO 0.13 -0.32 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.00 1yag s VAL 28 N 1.52 2.86 0.43 1.68 1.01 0.06 -4.89 120.40 123.07 1yag s VAL 28 Ca 0.02 -0.73 -0.26 0.00 0.00 0.00 0.00 61.98 61.01 1yag s VAL 28 Cb -0.19 -2.19 -0.09 0.00 0.00 0.00 0.00 36.38 33.91 1yag s VAL 28 CO 0.05 0.53 1.41 -2.16 0.00 0.00 0.00 175.10 174.93 1yag s PRO 29 N 0.45 3.81 -0.08 2.72 0.04 -1.26 0.21 135.00 140.88 1yag s PRO 29 Ca -0.11 2.40 -0.16 0.00 0.04 0.00 0.00 61.00 63.17 1yag s PRO 29 Cb -0.16 -2.73 -0.05 0.00 0.04 0.00 0.00 34.50 31.60 1yag s PRO 29 CO 0.05 -0.71 0.41 0.08 0.04 0.00 0.00 177.00 176.87 1yag s VAL 30 N -1.20 5.16 0.31 -0.36 1.01 -0.19 -4.75 120.40 120.37 1yag s VAL 30 Ca 0.59 0.82 -0.29 0.00 0.00 0.00 0.00 61.98 63.09 1yag s VAL 30 Cb -0.43 -3.73 -0.13 0.00 0.00 0.00 0.00 36.38 32.09 1yag s VAL 30 CO 0.56 0.44 1.37 -2.65 0.00 0.00 0.00 175.10 174.82 1yag n PRO 31 N 2.93 2.18 -0.07 2.72 -0.02 -1.26 -4.80 135.00 136.69 1yag n PRO 31 Ca -0.11 0.77 0.13 0.00 -2.02 0.00 0.00 63.50 62.28 1yag n PRO 31 Cb 0.52 -2.40 0.53 0.00 -0.02 0.00 0.00 33.50 32.13 1yag n PRO 31 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1yag h THR 32 N 2.81 0.87 0.00 3.45 1.35 -1.96 -0.03 112.91 119.40 1yag h THR 32 Ca -0.46 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 1yag h THR 32 Cb 1.27 0.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1yag h THR 32 CO 0.69 0.06 0.00 -0.46 -0.25 0.00 0.00 175.52 175.56 1yag n ASN 33 N -4.46 0.28 -0.71 5.36 0.23 -1.26 -2.30 115.26 112.41 1yag n ASN 33 Ca 0.10 0.58 0.07 0.00 -0.53 0.00 0.00 54.58 54.80 1yag n ASN 33 Cb 0.41 -0.64 0.13 0.00 -2.08 0.00 0.00 39.78 37.60 1yag n ASN 33 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1yag n LEU 34 N -1.82 2.69 -4.66 -4.53 4.77 -0.03 -4.99 117.00 108.42 1yag n LEU 34 Ca 0.02 -1.46 -0.46 0.00 -0.03 0.00 0.00 56.01 54.08 1yag n LEU 34 Cb 0.16 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 1yag n LEU 34 CO 0.14 0.59 1.09 -1.22 -1.33 0.00 0.00 177.39 176.66 1yag n TYR 35 N 0.84 2.17 0.00 -1.77 4.02 -0.97 -1.27 117.16 120.18 1yag n TYR 35 Ca 0.12 0.37 0.00 0.00 -0.01 0.00 0.00 57.90 58.38 1yag n TYR 35 Cb 0.42 -2.49 0.00 0.00 -0.02 0.00 0.00 39.34 37.25 1yag n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1yag n GLY 36 N 2.75 1.91 3.67 2.72 0.00 -1.26 -5.03 105.19 109.96 1yag n GLY 36 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1yag n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yag s ASP 37 N -0.07 6.92 -0.08 1.61 1.01 -0.39 -0.70 116.67 124.97 1yag s ASP 37 Ca 0.00 1.13 0.02 0.00 0.71 0.00 0.00 52.55 54.41 1yag s ASP 37 Cb 0.00 -2.44 0.01 0.00 1.01 0.00 0.00 42.92 41.51 1yag s ASP 37 CO 0.00 -0.36 -0.12 -0.36 0.21 0.00 0.00 175.17 174.54 1yag s PHE 38 N 2.02 1.57 0.00 4.23 0.08 -0.20 -4.94 117.98 120.74 1yag s PHE 38 Ca 0.37 -0.64 -0.30 0.00 0.12 0.00 0.00 56.93 56.48 1yag s PHE 38 Cb -0.17 -1.17 -0.03 0.00 -0.57 0.00 0.00 43.02 41.09 1yag s PHE 38 CO 0.13 -0.35 1.03 -0.06 -0.10 0.00 0.00 175.22 175.86 1yag s PHE 39 N 0.88 3.60 -0.85 0.36 0.08 -1.26 -0.58 117.98 120.21 1yag s PHE 39 Ca -0.10 1.61 0.20 0.00 0.12 0.00 0.00 56.93 58.75 1yag s PHE 39 Cb -0.15 -3.19 0.82 0.00 -0.57 0.00 0.00 43.02 39.93 1yag s PHE 39 CO 0.01 -0.29 1.62 0.25 -0.10 0.00 0.00 175.22 176.71 1yag n THR 40 N 3.98 0.78 -0.03 0.64 -2.24 0.12 -1.90 114.28 115.63 1yag n THR 40 Ca 0.07 0.17 0.11 0.00 -2.27 0.00 0.00 64.05 62.13 1yag n THR 40 Cb 0.50 -0.94 0.28 0.00 -2.10 0.00 0.00 70.33 68.07 1yag n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yag n GLY 41 N 0.31 2.06 3.56 3.38 0.00 0.43 0.34 105.19 115.28 1yag n GLY 41 Ca 0.04 -0.74 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 1yag n GLY 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yag s ASP 42 N -1.16 3.44 0.04 1.61 1.01 -0.80 -3.65 116.67 117.15 1yag s ASP 42 Ca 0.44 -1.34 0.07 0.00 0.71 0.00 0.00 52.55 52.43 1yag s ASP 42 Cb 0.24 -0.31 -0.02 0.00 1.01 0.00 0.00 42.92 43.84 1yag s ASP 42 CO 0.32 -0.46 -0.20 0.00 0.21 0.00 0.00 175.17 175.04 1yag s ALA 43 N -2.86 1.70 0.15 5.23 0.00 -1.26 -1.15 121.76 123.57 1yag s ALA 43 Ca 0.35 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.31 1yag s ALA 43 Cb 0.09 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1yag s ALA 43 CO 0.17 0.38 -0.01 0.71 0.00 0.00 0.00 175.76 177.02 1yag s TYR 44 N -0.76 1.10 -0.08 0.00 1.51 -0.05 -1.18 117.35 117.89 1yag s TYR 44 Ca 0.07 -1.02 0.02 0.00 -1.01 0.00 0.00 57.07 55.13 1yag s TYR 44 Cb -0.09 -0.63 0.01 0.00 -0.11 0.00 0.00 41.96 41.15 1yag s TYR 44 CO 0.01 -0.23 -0.14 0.08 -1.11 0.00 0.00 175.55 174.16 1yag s VAL 45 N -3.69 1.34 -0.10 0.71 1.01 0.50 -0.93 120.40 119.24 1yag s VAL 45 Ca 0.21 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.65 1yag s VAL 45 Cb 0.06 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 1yag s VAL 45 CO 0.02 0.40 -0.22 -0.63 0.00 0.00 0.00 175.10 174.67 1yag s ILE 46 N 0.74 2.27 -0.15 2.22 1.09 0.13 -0.64 121.20 126.87 1yag s ILE 46 Ca -0.12 -0.95 0.00 0.00 -1.10 0.00 0.00 60.65 58.47 1yag s ILE 46 Cb -0.16 -1.88 0.02 0.00 -1.06 0.00 0.00 42.46 39.39 1yag s ILE 46 CO 0.03 0.56 -0.13 -0.22 -0.10 0.00 0.00 174.94 175.07 1yag s LEU 47 N 0.22 1.71 -0.25 2.97 2.96 -0.16 0.20 118.68 126.34 1yag s LEU 47 Ca -0.14 -0.51 -0.07 0.00 -0.22 0.00 0.00 54.13 53.18 1yag s LEU 47 Cb -0.17 -1.16 -0.03 0.00 0.50 0.00 0.00 46.19 45.33 1yag s LEU 47 CO 0.07 -0.07 0.07 -0.75 -1.32 0.00 0.00 176.35 174.36 1yag s LYS 48 N 1.49 3.68 -0.16 1.98 2.47 0.08 -1.35 119.74 127.93 1yag s LYS 48 Ca 0.04 -0.46 -0.03 0.00 -1.56 0.00 0.00 55.97 53.96 1yag s LYS 48 Cb -0.13 -3.33 -0.02 0.00 -1.46 0.00 0.00 37.83 32.89 1yag s LYS 48 CO -0.10 -0.16 -0.07 0.99 0.16 0.00 0.00 175.35 176.17 1yag s THR 49 N 1.55 3.51 -0.06 3.43 2.01 0.21 -1.56 115.64 124.73 1yag s THR 49 Ca 0.06 -0.49 0.04 0.00 0.31 0.00 0.00 61.69 61.62 1yag s THR 49 Cb -0.15 -2.53 -0.00 0.00 0.01 0.00 0.00 72.50 69.83 1yag s THR 49 CO 0.04 0.49 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.58 1yag s VAL 50 N 0.62 1.56 -0.24 3.82 1.01 -0.42 -0.48 120.40 126.27 1yag s VAL 50 Ca -0.04 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 60.88 1yag s VAL 50 Cb -0.15 -1.35 -0.00 0.00 0.00 0.00 0.00 36.38 34.88 1yag s VAL 50 CO 0.03 0.45 1.24 -1.58 0.00 0.00 0.00 175.10 175.23 1yag s GLN 51 N 0.13 4.09 0.46 2.72 2.00 -1.26 -1.08 119.66 126.72 1yag s GLN 51 Ca -0.07 1.40 -0.09 0.00 -2.00 0.00 0.00 55.36 54.60 1yag s GLN 51 Cb -0.13 -3.80 -0.05 0.00 0.80 0.00 0.00 33.01 29.83 1yag s GLN 51 CO 0.03 -0.89 0.81 -0.51 -0.50 0.00 0.00 175.29 174.24 1yag s LEU 52 N 3.85 3.68 0.31 3.68 1.43 0.61 -4.96 118.68 127.28 1yag s LEU 52 Ca 0.53 1.10 0.03 0.00 -1.03 0.00 0.00 54.13 54.77 1yag s LEU 52 Cb -0.18 -4.03 0.61 0.00 0.03 0.00 0.00 46.19 42.62 1yag s LEU 52 CO 0.17 -0.53 1.88 -0.09 0.23 0.00 0.00 176.35 178.02 1yag h ARG 53 N 0.67 0.91 0.00 1.70 9.65 -1.96 -0.74 114.38 124.61 1yag h ARG 53 Ca -0.47 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.36 1yag h ARG 53 Cb 1.19 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.57 1yag h ARG 53 CO 0.63 0.60 0.00 0.27 2.80 0.00 0.00 179.97 184.27 1yag n ASN 54 N -4.54 0.00 0.00 -3.80 0.23 -1.26 -4.87 115.26 101.02 1yag n ASN 54 Ca 0.16 -1.51 0.00 0.00 -0.53 0.00 0.00 54.58 52.69 1yag n ASN 54 Cb 0.30 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.00 1yag n ASN 54 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1yag n GLY 55 N 0.66 1.39 3.84 4.83 0.00 -0.28 -5.06 105.19 110.57 1yag n GLY 55 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1yag n GLY 55 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1yag s ASN 56 N -2.67 5.16 -0.15 1.61 0.01 -1.26 -4.75 114.94 112.89 1yag s ASN 56 Ca 0.00 1.30 -0.05 0.00 -0.71 0.00 0.00 52.86 53.40 1yag s ASN 56 Cb 0.00 -2.11 -0.03 0.00 0.41 0.00 0.00 41.25 39.52 1yag s ASN 56 CO 0.00 -1.54 0.01 -0.76 -1.51 0.00 0.00 177.10 173.29 1yag s LEU 57 N -5.53 3.53 -0.12 0.60 1.43 -1.26 -0.28 118.68 117.05 1yag s LEU 57 Ca 0.59 0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 53.65 1yag s LEU 57 Cb -0.13 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1yag s LEU 57 CO 0.53 0.22 0.04 -1.58 0.23 0.00 0.00 176.35 175.79 1yag s GLN 58 N 0.10 3.40 0.06 1.70 0.74 -0.24 -4.95 119.66 120.47 1yag s GLN 58 Ca 0.02 -0.34 0.09 0.00 0.05 0.00 0.00 55.36 55.18 1yag s GLN 58 Cb -0.13 -3.00 -0.03 0.00 1.10 0.00 0.00 33.01 30.95 1yag s GLN 58 CO 0.02 0.57 -0.26 0.71 -0.55 0.00 0.00 175.29 175.78 1yag s TYR 59 N -0.49 2.24 -0.10 1.67 2.02 -1.25 -1.30 117.35 120.14 1yag s TYR 59 Ca 0.10 -0.40 -0.01 0.00 -0.37 0.00 0.00 57.07 56.38 1yag s TYR 59 Cb -0.12 -1.32 0.03 0.00 -0.40 0.00 0.00 41.96 40.15 1yag s TYR 59 CO 0.02 0.16 -0.02 -0.51 -1.57 0.00 0.00 175.55 173.63 1yag s ASP 60 N -1.38 1.99 -0.23 2.29 1.01 -0.60 -1.66 116.67 118.08 1yag s ASP 60 Ca 0.11 -0.27 -0.07 0.00 0.71 0.00 0.00 52.55 53.04 1yag s ASP 60 Cb -0.10 -0.61 -0.03 0.00 1.01 0.00 0.00 42.92 43.20 1yag s ASP 60 CO 0.03 -0.18 0.05 -0.76 0.21 0.00 0.00 175.17 174.52 1yag s LEU 61 N 1.86 3.42 -0.15 1.23 1.43 0.33 -0.75 118.68 126.06 1yag s LEU 61 Ca 0.04 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 1yag s LEU 61 Cb -0.13 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.19 1yag s LEU 61 CO -0.07 0.00 -0.17 -1.00 0.23 0.00 0.00 176.35 175.35 1yag s HIS 62 N 1.38 2.75 -0.28 0.29 3.76 0.13 0.03 115.29 123.34 1yag s HIS 62 Ca 0.05 -1.11 -0.07 0.00 -0.15 0.00 0.00 55.06 53.78 1yag s HIS 62 Cb -0.15 -1.86 -0.00 0.00 1.11 0.00 0.00 32.58 31.68 1yag s HIS 62 CO 0.03 -0.50 0.08 1.52 -0.85 0.00 0.00 174.74 175.02 1yag s TYR 63 N 0.79 3.13 -0.21 1.40 1.13 -0.26 0.21 117.35 123.53 1yag s TYR 63 Ca -0.06 -0.82 -0.18 0.00 -1.41 0.00 0.00 57.07 54.60 1yag s TYR 63 Cb -0.15 -2.25 -0.03 0.00 -1.10 0.00 0.00 41.96 38.42 1yag s TYR 63 CO -0.00 -0.52 0.50 -0.46 -2.51 0.00 0.00 175.55 172.56 1yag s TRP 64 N 1.53 3.35 -0.31 -3.49 -0.00 -0.11 -0.82 118.94 119.10 1yag s TRP 64 Ca 0.04 0.72 -0.07 0.00 -0.00 0.00 0.00 56.10 56.79 1yag s TRP 64 Cb -0.17 -2.66 0.01 0.00 -0.00 0.00 0.00 33.47 30.66 1yag s TRP 64 CO 0.03 -0.12 0.10 -0.51 -0.00 0.00 0.00 176.95 176.45 1yag s LEU 65 N 1.72 4.00 0.50 5.86 1.43 0.70 -0.87 118.68 132.02 1yag s LEU 65 Ca 0.23 -0.76 -0.21 0.00 -1.03 0.00 0.00 54.13 52.35 1yag s LEU 65 Cb -0.15 -1.90 -0.06 0.00 0.03 0.00 0.00 46.19 44.10 1yag s LEU 65 CO 0.09 -0.22 1.17 -0.83 0.23 0.00 0.00 176.35 176.79 1yag s GLY 66 N 1.50 2.74 0.48 -3.19 0.00 -0.30 -1.61 107.32 106.94 1yag s GLY 66 Ca 0.02 0.93 0.21 0.00 0.00 0.00 0.00 44.72 45.89 1yag s GLY 66 CO 0.03 1.36 1.94 -0.57 0.00 0.00 0.00 173.10 175.86 1yag h ASN 67 N 1.67 0.20 -0.21 1.64 -1.24 -1.71 -2.11 115.58 113.81 1yag h ASN 67 Ca -0.50 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.53 1yag h ASN 67 Cb 1.26 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 40.28 1yag h ASN 67 CO 0.59 0.10 0.00 -0.62 -1.29 0.00 0.00 177.43 176.20 1yag n GLU 68 N -4.42 2.63 -2.37 6.67 4.71 0.15 -5.02 120.64 123.00 1yag n GLU 68 Ca 0.14 -2.58 -0.37 0.00 -0.01 0.00 0.00 57.16 54.34 1yag n GLU 68 Cb 0.63 -1.64 -0.02 0.00 -1.01 0.00 0.00 31.44 29.41 1yag n GLU 68 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1yag s SER 70 N -1.49 5.09 0.44 0.00 1.04 -1.26 -4.84 113.70 112.67 1yag s SER 70 Ca 0.63 1.21 0.12 0.00 0.48 0.00 0.00 55.95 58.38 1yag s SER 70 Cb -0.25 -1.98 1.02 0.00 0.10 0.00 0.00 66.02 64.90 1yag s SER 70 CO 0.31 -1.58 2.04 -0.61 0.98 0.00 0.00 173.24 174.38 1yag h GLN 71 N -0.82 0.37 -0.08 4.02 4.15 -2.00 -1.38 115.11 119.37 1yag h GLN 71 Ca -0.46 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 58.84 1yag h GLN 71 Cb 1.26 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 1yag h GLN 71 CO 0.62 0.24 -0.41 0.38 -1.93 0.00 0.00 178.83 177.73 1yag h ASP 72 N 0.38 0.19 -0.03 -0.69 2.03 -1.98 -0.64 116.42 115.69 1yag h ASP 72 Ca 0.18 -0.08 -0.15 0.00 -0.73 0.00 0.00 57.03 56.24 1yag h ASP 72 Cb 0.23 -0.05 0.01 0.00 -0.83 0.00 0.00 39.33 38.68 1yag h ASP 72 CO -0.04 0.59 -0.58 -0.33 -1.03 0.00 0.00 179.24 177.85 1yag h GLU 73 N 0.16 0.44 -0.30 4.15 5.08 -1.63 -1.65 114.58 120.83 1yag h GLU 73 Ca 0.01 -0.44 -0.18 0.00 -1.00 0.00 0.00 59.36 57.75 1yag h GLU 73 Cb 0.80 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1yag h GLU 73 CO 0.06 1.09 -0.52 0.66 -1.00 0.00 0.00 179.01 179.30 1yag h SER 74 N -0.04 0.98 -0.58 1.42 4.64 -1.48 -0.49 113.55 118.00 1yag h SER 74 Ca -0.07 -0.53 -0.02 0.00 -0.47 0.00 0.00 61.79 60.70 1yag h SER 74 Cb 1.28 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 63.06 1yag h SER 74 CO 0.12 1.32 0.27 1.23 -0.87 0.00 0.00 176.83 178.89 1yag h GLY 75 N 0.67 0.91 1.34 -0.77 0.00 -1.19 -1.52 103.07 102.50 1yag h GLY 75 Ca 0.02 -0.46 -0.16 0.00 0.00 0.00 0.00 47.33 46.73 1yag h GLY 75 CO 0.12 0.44 -0.46 0.00 0.00 0.00 0.00 176.54 176.64 1yag h ALA 76 N 1.11 0.68 -0.80 3.60 0.00 -1.24 -1.79 119.26 120.80 1yag h ALA 76 Ca 0.20 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1yag h ALA 76 Cb 0.14 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1yag h ALA 76 CO -0.02 0.67 0.41 0.00 0.00 0.00 0.00 179.25 180.31 1yag h ALA 77 N 0.91 1.03 -0.11 0.00 0.00 -0.89 0.27 119.26 120.47 1yag h ALA 77 Ca 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1yag h ALA 77 Cb 1.01 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1yag h ALA 77 CO 0.10 0.57 0.01 0.00 0.00 0.00 0.00 179.25 179.92 1yag h ALA 78 N 1.22 0.14 -0.51 0.00 0.00 -1.14 -2.27 119.26 116.70 1yag h ALA 78 Ca 0.28 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1yag h ALA 78 Cb 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1yag h ALA 78 CO -0.04 -0.18 0.14 0.82 0.00 0.00 0.00 179.25 179.99 1yag h ILE 79 N -0.08 1.24 -0.63 0.00 2.04 -1.10 -2.31 117.51 116.68 1yag h ILE 79 Ca 0.03 -0.82 0.02 0.00 1.00 0.00 0.00 64.86 65.09 1yag h ILE 79 Cb 0.33 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1yag h ILE 79 CO 0.00 0.30 0.41 -0.26 0.00 0.00 0.00 178.15 178.61 1yag h PHE 80 N 0.71 0.74 -0.21 1.37 0.04 -0.45 -0.19 116.94 118.95 1yag h PHE 80 Ca 0.16 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.93 1yag h PHE 80 Cb 0.31 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 1yag h PHE 80 CO 0.02 0.44 0.06 1.15 -0.60 0.00 0.00 178.31 179.39 1yag h THR 81 N 0.78 1.20 -0.61 -1.55 2.02 -0.99 0.11 112.91 113.86 1yag h THR 81 Ca 0.24 -0.62 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 1yag h THR 81 Cb 0.01 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 1yag h THR 81 CO -0.06 0.20 0.29 0.58 0.37 0.00 0.00 175.52 176.90 1yag h VAL 82 N 0.16 1.22 -0.65 3.16 2.07 -0.86 -1.44 116.25 119.92 1yag h VAL 82 Ca 0.07 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 66.93 1yag h VAL 82 Cb 0.24 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1yag h VAL 82 CO -0.00 0.25 0.21 1.56 0.02 0.00 0.00 177.57 179.61 1yag h GLN 83 N 0.84 1.00 -0.30 1.57 4.20 -0.74 -0.52 115.11 121.17 1yag h GLN 83 Ca 0.21 -0.21 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1yag h GLN 83 Cb 0.12 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1yag h GLN 83 CO -0.03 0.87 -0.00 -0.07 -0.67 0.00 0.00 178.83 178.94 1yag h LEU 84 N 0.93 0.52 -0.16 1.46 3.38 -0.67 0.75 115.31 121.53 1yag h LEU 84 Ca 0.21 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1yag h LEU 84 Cb 0.28 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1yag h LEU 84 CO -0.01 0.70 -0.10 -0.78 0.09 0.00 0.00 178.44 178.34 1yag h ASP 85 N 0.33 -0.33 -0.87 -0.43 3.58 -1.02 0.19 116.42 117.87 1yag h ASP 85 Ca 0.09 0.07 0.07 0.00 0.42 0.00 0.00 57.03 57.68 1yag h ASP 85 Cb 0.44 0.17 -0.07 0.00 1.72 0.00 0.00 39.33 41.59 1yag h ASP 85 CO 0.02 -0.13 0.53 -0.78 -2.88 0.00 0.00 179.24 175.99 1yag h ASP 86 N -0.10 0.81 -0.22 2.28 3.58 -0.94 0.98 116.42 122.83 1yag h ASP 86 Ca 0.10 0.03 -0.11 0.00 0.42 0.00 0.00 57.03 57.47 1yag h ASP 86 Cb 0.24 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 1yag h ASP 86 CO -0.22 0.50 -0.22 0.22 -2.88 0.00 0.00 179.24 176.63 1yag h TYR 87 N 0.94 0.76 -0.31 0.28 3.20 0.18 -2.35 116.97 119.66 1yag h TYR 87 Ca 0.39 -0.17 -0.12 0.00 3.14 0.00 0.00 58.73 61.97 1yag h TYR 87 Cb 0.24 -0.18 -0.07 0.00 1.54 0.00 0.00 36.73 38.25 1yag h TYR 87 CO -0.04 0.84 0.16 1.28 -1.64 0.00 0.00 178.16 178.76 1yag n LEU 88 N -4.12 3.81 -1.58 2.82 4.77 0.58 -4.86 117.00 118.43 1yag n LEU 88 Ca 0.00 -1.97 -0.20 0.00 -0.03 0.00 0.00 56.01 53.81 1yag n LEU 88 Cb 0.42 -0.61 -0.08 0.00 -2.33 0.00 0.00 43.42 40.82 1yag n LEU 88 CO 0.44 0.59 -0.19 0.59 -1.33 0.00 0.00 177.39 177.48 1yag n ASN 89 N 0.01 -5.42 -0.82 -1.43 3.02 -0.88 -2.86 115.26 106.88 1yag n ASN 89 Ca 0.18 0.46 -0.10 0.00 -0.03 0.00 0.00 54.58 55.09 1yag n ASN 89 Cb 0.82 -4.66 -0.04 0.00 -0.61 0.00 0.00 39.78 35.29 1yag n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yag n GLY 90 N -0.55 1.01 0.00 7.41 0.00 0.34 -4.92 105.19 108.47 1yag n GLY 90 Ca -0.20 -0.56 0.12 0.00 0.00 0.00 0.00 46.02 45.38 1yag n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yag n ARG 91 N -2.62 0.06 -2.80 1.61 1.74 -1.13 -4.88 116.66 108.63 1yag n ARG 91 Ca -0.10 0.08 -0.25 0.00 -0.77 0.00 0.00 57.85 56.81 1yag n ARG 91 Cb 0.36 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.31 1yag n ARG 91 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yag s ALA 92 N -2.93 3.55 -0.13 7.54 0.00 -1.26 -3.78 121.76 124.74 1yag s ALA 92 Ca 0.13 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.27 1yag s ALA 92 Cb 0.16 -2.36 -0.02 0.00 0.00 0.00 0.00 23.12 20.90 1yag s ALA 92 CO 0.43 -0.44 -0.11 0.08 0.00 0.00 0.00 175.76 175.72 1yag s VAL 93 N -2.68 3.25 -0.10 0.00 1.01 -0.67 -4.95 120.40 116.27 1yag s VAL 93 Ca 0.49 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.73 1yag s VAL 93 Cb -0.10 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 1yag s VAL 93 CO 0.41 0.52 0.36 -1.10 0.00 0.00 0.00 175.10 175.29 1yag s GLN 94 N 0.31 4.10 -0.07 2.72 -0.21 -1.26 -0.51 119.66 124.74 1yag s GLN 94 Ca -0.09 0.26 0.02 0.00 0.02 0.00 0.00 55.36 55.57 1yag s GLN 94 Cb -0.15 -3.35 0.01 0.00 1.00 0.00 0.00 33.01 30.52 1yag s GLN 94 CO 0.05 0.41 -0.14 -1.01 -2.12 0.00 0.00 175.29 172.48 1yag s HIS 95 N -0.10 1.61 -0.26 0.91 3.76 0.10 -4.96 115.29 116.36 1yag s HIS 95 Ca 0.21 -0.63 -0.15 0.00 -0.15 0.00 0.00 55.06 54.34 1yag s HIS 95 Cb -0.15 -1.17 -0.04 0.00 1.11 0.00 0.00 32.58 32.34 1yag s HIS 95 CO 0.08 -0.31 0.38 0.50 -0.85 0.00 0.00 174.74 174.54 1yag s ARG 96 N 0.69 4.04 -0.30 1.40 3.52 -1.26 -1.10 118.95 125.94 1yag s ARG 96 Ca -0.14 0.07 -0.01 0.00 -0.13 0.00 0.00 55.73 55.53 1yag s ARG 96 Cb -0.16 -3.64 0.06 0.00 -1.56 0.00 0.00 34.95 29.65 1yag s ARG 96 CO 0.04 -0.24 -0.00 -1.21 -0.81 0.00 0.00 175.30 173.07 1yag s GLU 97 N 1.95 2.34 -0.06 5.12 0.41 -0.00 -4.93 118.70 123.52 1yag s GLU 97 Ca 0.16 -1.34 -0.16 0.00 -0.41 0.00 0.00 54.97 53.22 1yag s GLU 97 Cb -0.16 -3.16 -0.05 0.00 -1.78 0.00 0.00 34.13 28.98 1yag s GLU 97 CO 0.09 -0.65 0.43 0.08 -0.49 0.00 0.00 175.26 174.72 1yag s VAL 98 N 1.21 5.11 0.06 2.63 1.01 -1.26 -0.21 120.40 128.95 1yag s VAL 98 Ca -0.04 0.86 -0.37 0.00 0.00 0.00 0.00 61.98 62.43 1yag s VAL 98 Cb -0.20 -3.75 -0.17 0.00 0.00 0.00 0.00 36.38 32.27 1yag s VAL 98 CO -0.02 0.46 1.37 1.67 0.00 0.00 0.00 175.10 178.58 1yag n GLN 99 N 2.73 1.14 0.00 2.72 7.27 -0.63 -0.06 117.38 130.55 1yag n GLN 99 Ca -0.11 0.41 0.00 0.00 0.07 0.00 0.00 57.00 57.37 1yag n GLN 99 Cb 0.52 -2.06 0.00 0.00 2.41 0.00 0.00 30.24 31.11 1yag n GLN 99 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1yag n GLY 100 N 2.63 1.43 0.83 1.69 0.00 -1.26 -4.82 105.19 105.69 1yag n GLY 100 Ca 0.19 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.24 1yag n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1yag n PHE 101 N -2.00 0.00 -1.77 1.61 3.01 0.91 -5.09 117.46 114.13 1yag n PHE 101 Ca 0.00 -0.51 -0.39 0.00 1.01 0.00 0.00 57.45 57.56 1yag n PHE 101 Cb 0.00 -0.13 0.03 0.00 -0.01 0.00 0.00 39.48 39.37 1yag n PHE 101 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1yag s GLU 102 N -0.79 3.50 0.68 -1.08 8.01 -1.13 -4.54 118.70 123.35 1yag s GLU 102 Ca 0.22 2.39 -0.13 0.00 0.01 0.00 0.00 54.97 57.46 1yag s GLU 102 Cb 0.23 -2.53 0.01 0.00 -4.31 0.00 0.00 34.13 27.53 1yag s GLU 102 CO -0.07 -0.96 1.09 -1.54 0.01 0.00 0.00 175.26 173.79 1yag s SER 103 N -0.61 5.11 0.35 -0.19 1.04 -1.26 -4.88 113.70 113.26 1yag s SER 103 Ca 0.64 1.85 0.03 0.00 0.48 0.00 0.00 55.95 58.95 1yag s SER 103 Cb -0.43 -2.53 0.64 0.00 0.10 0.00 0.00 66.02 63.80 1yag s SER 103 CO 0.55 -1.62 1.99 0.00 0.98 0.00 0.00 173.24 175.13 1yag h ALA 104 N -0.34 1.52 -0.03 5.32 0.00 -1.99 -2.10 119.26 121.64 1yag h ALA 104 Ca -0.45 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.40 1yag h ALA 104 Cb 1.23 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1yag h ALA 104 CO 0.54 0.41 -0.08 1.15 0.00 0.00 0.00 179.25 181.27 1yag h THR 105 N 0.78 0.78 0.08 0.00 2.02 -1.99 0.07 112.91 114.65 1yag h THR 105 Ca 0.20 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.38 1yag h THR 105 Cb -0.02 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1yag h THR 105 CO -0.04 0.00 -0.06 0.15 0.37 0.00 0.00 175.52 175.94 1yag h PHE 106 N -0.13 -0.15 -0.78 3.16 3.57 -1.86 -2.44 116.94 118.31 1yag h PHE 106 Ca 0.04 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1yag h PHE 106 Cb 0.19 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.94 1yag h PHE 106 CO -0.16 -0.09 0.51 -0.07 -2.23 0.00 0.00 178.31 176.27 1yag h LEU 107 N -0.14 0.80 -1.48 0.59 3.38 -1.26 -0.79 115.31 116.41 1yag h LEU 107 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1yag h LEU 107 Cb 0.13 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1yag h LEU 107 CO -0.00 0.54 0.00 1.23 0.09 0.00 0.00 178.44 180.30 1yag h GLY 108 N 0.93 0.00 2.00 0.83 0.00 -0.47 -0.77 103.07 105.59 1yag h GLY 108 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1yag h GLY 108 CO -0.10 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.72 1yag n TYR 109 N -2.33 0.92 -3.88 5.60 4.01 -0.30 -4.55 117.16 116.63 1yag n TYR 109 Ca -0.01 0.29 -0.34 0.00 -0.16 0.00 0.00 57.90 57.69 1yag n TYR 109 Cb 0.06 -0.98 -0.13 0.00 -0.31 0.00 0.00 39.34 37.98 1yag n TYR 109 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1yag s PHE 110 N -3.17 3.61 0.31 -0.72 0.08 -0.30 -4.98 117.98 112.81 1yag s PHE 110 Ca 0.09 -2.75 0.04 0.00 0.12 0.00 0.00 56.93 54.42 1yag s PHE 110 Cb 0.11 -3.07 0.64 0.00 -0.57 0.00 0.00 43.02 40.13 1yag s PHE 110 CO 0.54 -0.93 1.87 1.57 -0.10 0.00 0.00 175.22 178.16 1yag h LYS 111 N 7.64 0.87 -0.64 0.44 2.10 -1.81 -0.31 116.57 124.86 1yag h LYS 111 Ca -0.08 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 1yag h LYS 111 Cb 1.01 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 32.15 1yag h LYS 111 CO 0.63 0.58 0.00 0.43 -2.00 0.00 0.00 179.45 179.09 1yag n SER 112 N -4.56 4.21 -0.33 7.07 7.64 -1.26 -5.06 113.62 121.32 1yag n SER 112 Ca 0.17 -2.40 0.01 0.00 1.01 0.00 0.00 58.87 57.66 1yag n SER 112 Cb 0.35 -0.54 -0.00 0.00 -1.01 0.00 0.00 64.21 63.01 1yag n SER 112 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yag n GLY 113 N 1.01 -1.76 3.89 0.23 0.00 -0.13 -4.89 105.19 103.54 1yag n GLY 113 Ca 0.22 -1.30 -0.35 0.00 0.00 0.00 0.00 46.02 44.59 1yag n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yag s LEU 114 N 0.00 4.38 -0.49 0.99 1.43 -1.26 -4.86 118.68 118.88 1yag s LEU 114 Ca 0.00 0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 53.55 1yag s LEU 114 Cb 0.00 -2.39 0.13 0.00 0.03 0.00 0.00 46.19 43.96 1yag s LEU 114 CO 0.00 0.33 0.27 -0.75 0.23 0.00 0.00 176.35 176.43 1yag s LYS 115 N -1.48 2.13 0.48 1.70 2.20 0.12 -5.01 119.74 119.88 1yag s LYS 115 Ca 0.22 -2.15 -0.22 0.00 -0.36 0.00 0.00 55.97 53.45 1yag s LYS 115 Cb -0.13 -3.56 -0.07 0.00 -1.51 0.00 0.00 37.83 32.56 1yag s LYS 115 CO 0.12 -1.10 1.20 0.71 -0.36 0.00 0.00 175.35 175.92 1yag s TYR 116 N 0.56 2.74 -0.03 4.03 2.02 -1.26 -1.03 117.35 124.38 1yag s TYR 116 Ca 0.12 1.51 0.00 0.00 -0.37 0.00 0.00 57.07 58.33 1yag s TYR 116 Cb -0.22 -3.45 0.03 0.00 -0.40 0.00 0.00 41.96 37.92 1yag s TYR 116 CO -0.04 -1.78 -0.00 0.15 -1.57 0.00 0.00 175.55 172.31 1yag s LYS 117 N -2.79 0.36 0.42 -0.62 1.02 0.25 -4.85 119.74 113.54 1yag s LYS 117 Ca 0.66 0.07 -0.24 0.00 0.02 0.00 0.00 55.97 56.48 1yag s LYS 117 Cb -0.30 -0.55 -0.08 0.00 -0.52 0.00 0.00 37.83 36.37 1yag s LYS 117 CO 0.36 -0.15 1.15 0.15 -0.92 0.00 0.00 175.35 175.95 1yag s LYS 118 N 1.12 3.96 0.00 1.68 -0.14 -1.26 0.14 119.74 125.23 1yag s LYS 118 Ca -0.08 1.77 0.00 0.00 -1.36 0.00 0.00 55.97 56.29 1yag s LYS 118 Cb -0.13 -2.56 0.00 0.00 -1.68 0.00 0.00 37.83 33.46 1yag s LYS 118 CO -0.02 -0.38 0.00 0.41 -0.76 0.00 0.00 175.35 174.60 1yag n GLY 119 N 0.52 -1.01 0.00 -3.33 0.00 -1.26 -4.81 105.19 95.29 1yag n GLY 119 Ca 0.05 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1yag n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yag n GLY 120 N 0.00 0.26 3.79 -0.02 0.00 -1.26 -0.42 105.19 107.53 1yag n GLY 120 Ca 0.00 -1.77 -0.36 0.00 0.00 0.00 0.00 46.02 43.89 1yag n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yag s VAL 121 N -1.82 4.12 0.63 1.61 0.11 -1.26 -5.02 120.40 118.78 1yag s VAL 121 Ca 0.00 1.63 -0.17 0.00 -2.93 0.00 0.00 61.98 60.51 1yag s VAL 121 Cb 0.00 -3.84 -0.01 0.00 -1.53 0.00 0.00 36.38 31.00 1yag s VAL 121 CO 0.00 0.01 1.15 0.00 -3.33 0.00 0.00 175.10 172.94 1yag s ALA 122 N -1.75 2.46 0.65 1.54 0.00 -1.26 -4.88 121.76 118.52 1yag s ALA 122 Ca 0.55 0.77 -0.17 0.00 0.00 0.00 0.00 51.96 53.11 1yag s ALA 122 Cb -0.17 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 1yag s ALA 122 CO 0.22 -1.26 0.83 0.45 0.00 0.00 0.00 175.76 176.01 1yag n SER 123 N -2.06 0.13 -0.03 0.00 2.88 -1.26 -4.51 113.62 108.78 1yag n SER 123 Ca 0.12 0.73 0.13 0.00 -1.33 0.00 0.00 58.87 58.52 1yag n SER 123 Cb 0.51 -1.34 0.42 0.00 -0.75 0.00 0.00 64.21 63.05 1yag n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1yag n GLY 124 N 1.38 -1.26 0.00 0.46 0.00 -1.26 -4.90 105.19 99.61 1yag n GLY 124 Ca 0.13 -0.26 0.02 0.00 0.00 0.00 0.00 46.02 45.90 1yag n GLY 124 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01