#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iyb s VAL -2 N 0.00 5.19 0.06 -3.48 1.01 -1.26 -5.09 120.40 116.83 1iyb s VAL -2 Ca 0.00 0.74 0.07 0.00 0.00 0.00 0.00 61.98 62.79 1iyb s VAL -2 Cb 0.00 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1iyb s VAL -2 CO 0.00 0.45 -0.15 -1.61 0.00 0.00 0.00 175.10 173.80 1iyb s GLU -1 N -0.12 2.10 0.00 2.72 2.02 -1.26 -5.02 118.70 119.14 1iyb s GLU -1 Ca 0.21 -0.99 0.00 0.00 0.02 0.00 0.00 54.97 54.22 1iyb s GLU -1 Cb -0.15 -2.25 0.00 0.00 0.10 0.00 0.00 34.13 31.84 1iyb s GLU -1 CO 0.09 0.53 0.18 1.19 0.02 0.00 0.00 175.26 177.27 1iyb n PHE 0 N 1.23 0.00 -4.15 1.61 3.01 -1.26 -5.04 117.46 112.86 1iyb n PHE 0 Ca -0.15 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.20 1iyb n PHE 0 Cb 0.52 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.89 1iyb n PHE 0 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1iyb s ALA 1 N -0.42 0.90 -0.05 4.37 0.00 -1.26 -4.09 121.76 121.21 1iyb s ALA 1 Ca 0.00 -1.24 -0.10 0.00 0.00 0.00 0.00 51.96 50.61 1iyb s ALA 1 Cb 0.00 0.14 -0.31 0.00 0.00 0.00 0.00 23.12 22.95 1iyb s ALA 1 CO 0.00 -0.19 0.67 1.96 0.00 0.00 0.00 175.76 178.20 1iyb h GLN 2 N 3.25 0.39 0.00 0.00 4.20 -1.97 -3.41 115.11 117.57 1iyb h GLN 2 Ca -0.35 -0.66 0.00 0.00 0.06 0.00 0.00 58.65 57.69 1iyb h GLN 2 Cb 1.17 0.25 0.00 0.00 0.30 0.00 0.00 27.48 29.20 1iyb h GLN 2 CO 0.60 1.31 -0.86 -0.25 -0.67 0.00 0.00 178.83 178.96 1iyb n ASP 3 N -3.58 0.81 -4.12 1.46 8.00 -1.26 -5.01 116.55 112.85 1iyb n ASP 3 Ca -0.24 -0.75 -0.10 0.00 0.71 0.00 0.00 54.79 54.40 1iyb n ASP 3 Cb 1.08 1.10 -0.09 0.00 -0.02 0.00 0.00 41.12 43.18 1iyb n ASP 3 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1iyb s PHE 4 N -2.54 0.85 -0.21 1.24 -0.12 -1.26 -4.98 117.98 110.95 1iyb s PHE 4 Ca 0.04 -1.17 -0.15 0.00 -0.05 0.00 0.00 56.93 55.60 1iyb s PHE 4 Cb 0.11 -0.39 -0.19 0.00 -0.63 0.00 0.00 43.02 41.92 1iyb s PHE 4 CO 0.64 -0.62 0.11 -0.25 -0.05 0.00 0.00 175.22 175.04 1iyb n ASP 5 N -0.19 1.95 -1.73 1.98 10.43 -1.07 -4.35 116.55 123.57 1iyb n ASP 5 Ca -0.03 0.32 -0.05 0.00 2.57 0.00 0.00 54.79 57.60 1iyb n ASP 5 Cb 0.64 -0.88 -0.00 0.00 1.84 0.00 0.00 41.12 42.72 1iyb n ASP 5 CO 0.00 0.00 0.00 2.22 -1.07 0.00 0.00 177.20 178.35 1iyb n PHE 6 N -4.10 -1.14 -4.49 1.24 1.16 -0.17 -3.44 117.46 106.52 1iyb n PHE 6 Ca -0.37 -0.81 -0.26 0.00 -1.87 0.00 0.00 57.45 54.13 1iyb n PHE 6 Cb 0.82 0.27 -0.13 0.00 -1.61 0.00 0.00 39.48 38.84 1iyb n PHE 6 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1iyb s PHE 7 N -5.21 1.97 -0.19 2.97 0.40 -0.28 0.11 117.98 117.76 1iyb s PHE 7 Ca 0.09 -0.40 -0.05 0.00 -0.60 0.00 0.00 56.93 55.98 1iyb s PHE 7 Cb -0.01 -1.12 -0.02 0.00 0.51 0.00 0.00 43.02 42.38 1iyb s PHE 7 CO 0.06 0.19 -0.01 0.71 0.70 0.00 0.00 175.22 176.87 1iyb s TYR 8 N -0.99 3.04 -0.37 0.36 4.12 -0.05 -1.51 117.35 121.95 1iyb s TYR 8 Ca 0.09 -0.42 -0.13 0.00 0.02 0.00 0.00 57.07 56.64 1iyb s TYR 8 Cb -0.10 -2.05 0.01 0.00 -1.52 0.00 0.00 41.96 38.30 1iyb s TYR 8 CO 0.04 -0.18 0.25 0.12 0.02 0.00 0.00 175.55 175.79 1iyb s PHE 9 N 0.81 3.23 -0.14 2.71 5.36 0.11 -0.38 117.98 129.68 1iyb s PHE 9 Ca 0.00 -0.53 -0.02 0.00 -0.96 0.00 0.00 56.93 55.42 1iyb s PHE 9 Cb -0.14 -2.50 -0.03 0.00 -0.34 0.00 0.00 43.02 40.01 1iyb s PHE 9 CO 0.02 -0.51 -0.06 0.08 -1.46 0.00 0.00 175.22 173.29 1iyb s VAL 10 N 1.66 3.72 0.09 3.12 1.01 -0.21 -1.16 120.40 128.64 1iyb s VAL 10 Ca 0.05 -0.43 0.09 0.00 0.00 0.00 0.00 61.98 61.69 1iyb s VAL 10 Cb -0.18 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 1iyb s VAL 10 CO 0.09 0.51 -0.22 -1.10 0.00 0.00 0.00 175.10 174.38 1iyb s GLN 11 N 0.20 1.27 0.13 2.72 -0.21 -0.89 -0.41 119.66 122.47 1iyb s GLN 11 Ca -0.03 -1.16 0.10 0.00 0.02 0.00 0.00 55.36 54.29 1iyb s GLN 11 Cb -0.14 -1.55 -0.04 0.00 1.00 0.00 0.00 33.01 32.28 1iyb s GLN 11 CO 0.03 0.37 -0.21 1.14 -2.12 0.00 0.00 175.29 174.50 1iyb s GLN 12 N -1.76 1.64 -0.31 2.91 -2.07 0.98 -1.51 119.66 119.53 1iyb s GLN 12 Ca 0.09 -1.26 -0.15 0.00 -1.82 0.00 0.00 55.36 52.21 1iyb s GLN 12 Cb -0.10 -2.03 -0.02 0.00 -1.09 0.00 0.00 33.01 29.77 1iyb s GLN 12 CO 0.04 0.46 0.39 -0.46 -1.32 0.00 0.00 175.29 174.40 1iyb s TRP 13 N -1.15 3.22 0.43 9.60 -0.11 0.13 -0.87 118.94 130.18 1iyb s TRP 13 Ca 0.17 0.20 0.14 0.00 1.22 0.00 0.00 56.10 57.83 1iyb s TRP 13 Cb -0.10 -2.66 1.03 0.00 -1.50 0.00 0.00 33.47 30.24 1iyb s TRP 13 CO 0.09 -0.35 1.95 -1.00 -4.62 0.00 0.00 176.95 173.02 1iyb h PRO 14 N 8.33 0.41 0.00 5.86 0.13 -1.90 -0.91 132.00 143.93 1iyb h PRO 14 Ca -0.30 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 1iyb h PRO 14 Cb 1.15 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 1iyb h PRO 14 CO 0.68 0.27 -0.05 0.78 -0.23 0.00 0.00 178.00 179.45 1iyb h GLY 15 N 0.43 0.00 0.54 1.56 0.00 -1.85 -1.75 103.07 101.99 1iyb h GLY 15 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1iyb h GLY 15 CO -0.10 0.00 -1.39 1.44 0.00 0.00 0.00 176.54 176.49 1iyb n SER 16 N -3.42 0.49 0.07 0.19 7.64 -0.37 -3.58 113.62 114.65 1iyb n SER 16 Ca -0.02 0.11 0.01 0.00 1.01 0.00 0.00 58.87 59.97 1iyb n SER 16 Cb 0.18 1.10 -0.04 0.00 -1.01 0.00 0.00 64.21 64.44 1iyb n SER 16 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1iyb h TYR 17 N 0.00 0.00 -0.03 1.43 3.20 -1.14 -3.37 116.97 117.06 1iyb h TYR 17 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1iyb h TYR 17 Cb 0.95 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.22 1iyb h TYR 17 CO 0.00 0.57 -0.06 0.00 -1.64 0.00 0.00 178.16 177.02 1iyb n ASP 19 N 0.96 2.26 -3.55 0.00 5.75 -1.23 -4.81 116.55 115.93 1iyb n ASP 19 Ca 0.14 -3.79 -0.12 0.00 -0.01 0.00 0.00 54.79 51.01 1iyb n ASP 19 Cb 0.54 -0.60 0.02 0.00 -1.03 0.00 0.00 41.12 40.05 1iyb n ASP 19 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1iyb n THR 20 N -1.12 0.00 0.40 2.12 -2.24 -1.26 -2.62 114.28 109.56 1iyb n THR 20 Ca 0.28 -1.10 0.13 0.00 -2.27 0.00 0.00 64.05 61.09 1iyb n THR 20 Cb 0.92 -0.49 0.51 0.00 -2.10 0.00 0.00 70.33 69.17 1iyb n THR 20 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1iyb h LYS 21 N 0.00 0.00 -6.68 -0.78 2.10 -1.88 -3.44 116.57 105.89 1iyb h LYS 21 Ca -0.17 0.00 -0.50 0.00 -2.00 0.00 0.00 60.65 57.98 1iyb h LYS 21 Cb 0.68 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.01 1iyb h LYS 21 CO 0.25 0.00 -0.03 -0.65 -2.00 0.00 0.00 179.45 177.02 1iyb s GLN 22 N -3.35 3.63 0.39 0.07 -0.21 -1.26 -5.07 119.66 113.86 1iyb s GLN 22 Ca 0.05 0.13 -0.18 0.00 0.02 0.00 0.00 55.36 55.37 1iyb s GLN 22 Cb 0.09 -2.52 -0.10 0.00 1.00 0.00 0.00 33.01 31.48 1iyb s GLN 22 CO 0.45 0.05 0.86 -1.54 -2.12 0.00 0.00 175.29 172.99 1iyb s SER 23 N -3.46 6.85 0.04 5.90 1.04 -1.26 -4.85 113.70 117.95 1iyb s SER 23 Ca 0.46 1.50 0.03 0.00 0.48 0.00 0.00 55.95 58.42 1iyb s SER 23 Cb -0.10 -2.46 -0.02 0.00 0.10 0.00 0.00 66.02 63.53 1iyb s SER 23 CO 0.34 -0.31 -0.09 0.00 0.98 0.00 0.00 173.24 174.17 1iyb s TYR 26 N 0.75 2.87 1.08 0.00 2.02 -1.26 -3.99 117.35 118.82 1iyb s TYR 26 Ca -0.11 1.49 -0.13 0.00 -0.37 0.00 0.00 57.07 57.95 1iyb s TYR 26 Cb -0.13 -3.52 0.23 0.00 -0.40 0.00 0.00 41.96 38.14 1iyb s TYR 26 CO 0.01 -1.76 1.07 -1.25 -1.57 0.00 0.00 175.55 172.04 1iyb s PRO 27 N -2.42 -0.24 0.66 -1.71 0.04 -1.22 -4.48 135.00 125.63 1iyb s PRO 27 Ca 0.60 0.56 0.44 0.00 0.04 0.00 0.00 61.00 62.64 1iyb s PRO 27 Cb -0.34 -1.66 2.40 0.00 0.04 0.00 0.00 34.50 34.95 1iyb s PRO 27 CO 0.42 -3.20 2.37 0.87 0.04 0.00 0.00 177.00 177.50 1iyb h LYS 28 N -2.23 0.00 0.00 4.56 1.57 -1.35 0.25 116.57 119.37 1iyb h LYS 28 Ca -0.57 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 1iyb h LYS 28 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.65 1iyb h LYS 28 CO 0.54 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.67 1iyb n THR 29 N -3.10 0.17 0.00 -0.16 -2.24 -1.26 -5.01 114.28 102.68 1iyb n THR 29 Ca -0.03 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1iyb n THR 29 Cb 0.08 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 1iyb n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iyb n GLY 30 N 1.05 -2.41 3.68 3.38 0.00 0.08 -4.96 105.19 106.01 1iyb n GLY 30 Ca 0.10 -2.20 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 1iyb n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1iyb s LYS 31 N -0.96 4.13 0.90 1.61 2.20 -1.26 -4.01 119.74 122.35 1iyb s LYS 31 Ca 0.00 2.61 -0.11 0.00 -0.36 0.00 0.00 55.97 58.11 1iyb s LYS 31 Cb 0.00 -3.72 0.14 0.00 -1.51 0.00 0.00 37.83 32.74 1iyb s LYS 31 CO 0.00 -0.87 1.10 -2.14 -0.36 0.00 0.00 175.35 173.08 1iyb s PRO 32 N 3.12 1.15 0.70 4.03 0.02 -1.26 -4.97 135.00 137.78 1iyb s PRO 32 Ca 0.83 1.20 -0.15 0.00 0.02 0.00 0.00 61.00 62.89 1iyb s PRO 32 Cb -0.46 -1.77 0.02 0.00 0.02 0.00 0.00 34.50 32.32 1iyb s PRO 32 CO 0.38 -2.42 1.16 0.00 -0.33 0.00 0.00 177.00 175.79 1iyb s ALA 33 N -2.76 2.27 -1.38 -1.55 0.00 -1.26 -4.86 121.76 112.21 1iyb s ALA 33 Ca 0.65 0.74 -0.15 0.00 0.00 0.00 0.00 51.96 53.19 1iyb s ALA 33 Cb -0.20 -3.40 0.06 0.00 0.00 0.00 0.00 23.12 19.57 1iyb s ALA 33 CO 0.58 -1.61 2.00 0.43 0.00 0.00 0.00 175.76 177.16 1iyb n SER 34 N -2.58 4.37 -3.91 0.00 7.64 -1.26 -4.82 113.62 113.06 1iyb n SER 34 Ca 0.12 -2.89 -0.09 0.00 1.01 0.00 0.00 58.87 57.02 1iyb n SER 34 Cb 0.51 -1.68 -0.06 0.00 -1.01 0.00 0.00 64.21 61.96 1iyb n SER 34 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1iyb s ASP 35 N 3.46 -0.01 0.54 6.43 2.15 -1.26 -5.08 116.67 122.90 1iyb s ASP 35 Ca 0.49 -0.78 -0.21 0.00 0.43 0.00 0.00 52.55 52.48 1iyb s ASP 35 Cb 0.10 0.45 -0.05 0.00 -0.30 0.00 0.00 42.92 43.12 1iyb s ASP 35 CO -0.02 -0.91 1.26 -0.36 -0.17 0.00 0.00 175.17 174.97 1iyb s PHE 36 N -3.94 2.46 0.19 -5.34 0.40 -1.26 -4.46 117.98 106.03 1iyb s PHE 36 Ca 0.15 1.47 0.11 0.00 -0.60 0.00 0.00 56.93 58.06 1iyb s PHE 36 Cb 0.03 -3.59 -0.04 0.00 0.51 0.00 0.00 43.02 39.93 1iyb s PHE 36 CO -0.02 -2.33 -0.24 0.20 0.70 0.00 0.00 175.22 173.54 1iyb s GLY 37 N -1.29 1.71 0.27 4.36 0.00 -0.05 -4.92 107.32 107.40 1iyb s GLY 37 Ca 0.72 -1.64 -0.29 0.00 0.00 0.00 0.00 44.72 43.51 1iyb s GLY 37 CO 0.39 -1.66 1.20 -0.42 0.00 0.00 0.00 173.10 172.61 1iyb s ILE 38 N -1.65 3.26 -0.23 0.90 1.01 0.02 -0.02 121.20 124.49 1iyb s ILE 38 Ca 0.20 1.20 -0.15 0.00 0.00 0.00 0.00 60.65 61.90 1iyb s ILE 38 Cb -0.08 -3.76 -0.09 0.00 0.01 0.00 0.00 42.46 38.53 1iyb s ILE 38 CO 0.10 0.26 -0.35 1.57 0.00 0.00 0.00 174.94 176.52 1iyb n HIS 39 N 1.46 0.00 0.00 3.97 -0.00 0.45 -4.69 115.22 116.42 1iyb n HIS 39 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 1iyb n HIS 39 Cb 0.44 -0.77 0.00 0.00 -0.00 0.00 0.00 29.99 29.65 1iyb n HIS 39 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1iyb n GLY 40 N 1.39 -0.04 3.28 1.57 0.00 -1.00 -4.96 105.19 105.44 1iyb n GLY 40 Ca -0.37 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.35 1iyb n GLY 40 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iyb s LEU 41 N 0.00 3.70 -0.24 0.99 2.96 -1.26 -1.05 118.68 123.79 1iyb s LEU 41 Ca 0.00 -0.84 -0.01 0.00 -0.22 0.00 0.00 54.13 53.06 1iyb s LEU 41 Cb 0.00 -1.80 0.02 0.00 0.50 0.00 0.00 46.19 44.91 1iyb s LEU 41 CO 0.00 -0.19 -0.08 0.26 -1.32 0.00 0.00 176.35 175.02 1iyb s TRP 42 N 1.42 3.02 0.42 5.38 0.51 0.49 -4.57 118.94 125.61 1iyb s TRP 42 Ca 0.01 -1.53 -0.26 0.00 -2.12 0.00 0.00 56.10 52.20 1iyb s TRP 42 Cb -0.17 -2.04 -0.09 0.00 -0.81 0.00 0.00 33.47 30.35 1iyb s TRP 42 CO 0.00 -0.73 1.46 -2.14 -0.51 0.00 0.00 176.95 175.03 1iyb s PRO 43 N 1.33 3.85 0.12 4.98 0.02 -1.26 -0.87 135.00 143.16 1iyb s PRO 43 Ca 0.01 2.49 -0.09 0.00 0.02 0.00 0.00 61.00 63.43 1iyb s PRO 43 Cb -0.16 -2.78 -0.00 0.00 0.02 0.00 0.00 34.50 31.58 1iyb s PRO 43 CO -0.06 -0.71 0.24 1.21 -0.33 0.00 0.00 177.00 177.35 1iyb s ASN 44 N -0.35 0.07 0.25 2.53 2.47 0.12 -4.34 114.94 115.69 1iyb s ASN 44 Ca 0.58 -0.70 0.10 0.00 0.42 0.00 0.00 52.86 53.25 1iyb s ASN 44 Cb -0.45 0.38 -0.04 0.00 -1.45 0.00 0.00 41.25 39.69 1iyb s ASN 44 CO 0.59 -0.79 -0.04 0.20 -3.72 0.00 0.00 177.10 173.34 1iyb s ASN 45 N -2.89 4.41 0.60 -4.21 0.02 0.22 -1.00 114.94 112.09 1iyb s ASN 45 Ca 0.09 -0.67 0.36 0.00 -1.02 0.00 0.00 52.86 51.63 1iyb s ASN 45 Cb 0.04 -0.78 1.92 0.00 0.02 0.00 0.00 41.25 42.46 1iyb s ASN 45 CO -0.07 0.02 2.22 0.78 0.02 0.00 0.00 177.10 180.07 1iyb h ASN 46 N 2.10 0.00 -0.32 -1.22 2.35 -1.95 -1.90 115.58 114.64 1iyb h ASN 46 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 1iyb h ASN 46 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 1iyb h ASN 46 CO 0.59 0.03 0.00 -0.90 -1.65 0.00 0.00 177.43 175.50 1iyb n ASP 47 N -3.34 2.40 0.00 5.81 3.85 -1.26 -4.69 116.55 119.31 1iyb n ASP 47 Ca -0.02 -1.87 0.00 0.00 -0.71 0.00 0.00 54.79 52.18 1iyb n ASP 47 Cb 0.15 -0.21 0.00 0.00 -1.35 0.00 0.00 41.12 39.71 1iyb n ASP 47 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1iyb n GLY 48 N 1.26 2.02 3.90 6.12 0.00 -0.71 -5.06 105.19 112.72 1iyb n GLY 48 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1iyb n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1iyb s SER 49 N -1.68 4.18 -0.13 1.61 1.04 -1.26 -4.80 113.70 112.66 1iyb s SER 49 Ca 0.00 0.70 -0.20 0.00 0.48 0.00 0.00 55.95 56.92 1iyb s SER 49 Cb 0.00 -1.11 0.05 0.00 0.10 0.00 0.00 66.02 65.06 1iyb s SER 49 CO 0.00 -2.11 0.52 -0.72 0.98 0.00 0.00 173.24 171.91 1iyb s TYR 50 N -3.62 -0.52 0.48 5.02 -0.85 -1.26 -0.61 117.35 116.00 1iyb s TYR 50 Ca 0.64 1.12 -0.20 0.00 -0.52 0.00 0.00 57.07 58.12 1iyb s TYR 50 Cb -0.10 0.22 -0.09 0.00 0.38 0.00 0.00 41.96 42.38 1iyb s TYR 50 CO 0.50 -0.37 1.01 -1.25 -1.52 0.00 0.00 175.55 173.91 1iyb s PRO 51 N -0.36 3.90 -0.05 -3.49 0.04 -1.26 -5.01 135.00 128.78 1iyb s PRO 51 Ca -0.05 1.23 -0.17 0.00 0.04 0.00 0.00 61.00 62.05 1iyb s PRO 51 Cb -0.03 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.42 1iyb s PRO 51 CO 0.03 -0.32 0.37 -1.54 0.04 0.00 0.00 177.00 175.58 1iyb s SER 52 N -2.24 -0.29 -1.23 6.66 1.04 -1.26 -4.86 113.70 111.52 1iyb s SER 52 Ca 0.64 0.31 -0.16 0.00 0.48 0.00 0.00 55.95 57.22 1iyb s SER 52 Cb -0.13 0.44 -0.00 0.00 0.10 0.00 0.00 66.02 66.43 1iyb s SER 52 CO 0.21 -0.41 0.67 0.59 0.98 0.00 0.00 173.24 175.28 1iyb n ASN 53 N 1.54 -3.68 0.00 7.02 4.13 -0.33 -4.90 115.26 119.05 1iyb n ASN 53 Ca -0.20 -1.04 0.14 0.00 1.68 0.00 0.00 54.58 55.17 1iyb n ASN 53 Cb 0.56 -3.15 0.66 0.00 -1.54 0.00 0.00 39.78 36.31 1iyb n ASN 53 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1iyb s ASP 55 N -2.87 -1.51 0.03 0.00 -1.08 -1.26 -4.90 116.67 105.08 1iyb s ASP 55 Ca 0.18 -0.76 0.15 0.00 -0.52 0.00 0.00 52.55 51.60 1iyb s ASP 55 Cb 0.19 1.93 0.62 0.00 -1.46 0.00 0.00 42.92 44.20 1iyb s ASP 55 CO 0.50 -0.17 1.46 -1.54 0.52 0.00 0.00 175.17 175.95 1iyb n SER 56 N 4.41 0.07 -0.62 -0.34 3.41 -1.26 -1.94 113.62 117.34 1iyb n SER 56 Ca 0.11 0.52 0.10 0.00 -0.26 0.00 0.00 58.87 59.33 1iyb n SER 56 Cb 0.57 -0.53 0.32 0.00 -0.26 0.00 0.00 64.21 64.31 1iyb n SER 56 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1iyb n ASN 57 N -1.57 1.84 -3.63 4.04 3.02 -1.26 -4.44 115.26 113.26 1iyb n ASN 57 Ca 0.03 -1.78 -0.28 0.00 -0.03 0.00 0.00 54.58 52.52 1iyb n ASN 57 Cb 0.17 -0.14 -0.09 0.00 -0.61 0.00 0.00 39.78 39.10 1iyb n ASN 57 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1iyb n SER 58 N 0.45 3.52 -4.78 6.41 2.88 -0.82 -5.09 113.62 116.19 1iyb n SER 58 Ca 0.16 -3.35 -0.35 0.00 -1.33 0.00 0.00 58.87 54.00 1iyb n SER 58 Cb 0.34 -0.72 -0.02 0.00 -0.75 0.00 0.00 64.21 63.07 1iyb n SER 58 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1iyb s PRO 59 N -2.07 3.60 0.27 -1.46 0.04 -1.26 -4.80 135.00 129.31 1iyb s PRO 59 Ca 0.34 1.52 -0.30 0.00 0.04 0.00 0.00 61.00 62.60 1iyb s PRO 59 Cb 0.07 -2.09 -0.10 0.00 0.04 0.00 0.00 34.50 32.41 1iyb s PRO 59 CO -0.08 -0.63 1.48 -0.47 0.04 0.00 0.00 177.00 177.34 1iyb s TYR 60 N -1.83 2.92 -0.11 0.56 5.04 -1.26 -5.01 117.35 117.66 1iyb s TYR 60 Ca 0.69 0.99 -0.01 0.00 -2.44 0.00 0.00 57.07 56.30 1iyb s TYR 60 Cb -0.21 -3.89 0.04 0.00 0.35 0.00 0.00 41.96 38.24 1iyb s TYR 60 CO 0.25 -2.89 -0.01 0.34 -1.34 0.00 0.00 175.55 171.90 1iyb s ASP 61 N 0.32 2.08 0.61 4.32 3.68 -1.26 -5.01 116.67 121.41 1iyb s ASP 61 Ca 0.59 -0.33 0.32 0.00 2.13 0.00 0.00 52.55 55.27 1iyb s ASP 61 Cb -0.44 -0.58 1.86 0.00 -1.45 0.00 0.00 42.92 42.31 1iyb s ASP 61 CO 0.46 -0.20 2.18 -0.61 0.13 0.00 0.00 175.17 177.13 1iyb h GLN 62 N 8.27 0.00 -0.15 4.34 4.15 -1.98 -0.43 115.11 129.31 1iyb h GLN 62 Ca -0.21 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.19 1iyb h GLN 62 Cb 1.12 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.80 1iyb h GLN 62 CO 0.31 0.00 0.00 1.03 -1.93 0.00 0.00 178.83 178.25 1iyb h SER 63 N 0.00 0.20 0.70 -0.69 0.87 -2.00 -1.21 113.55 111.42 1iyb h SER 63 Ca 0.04 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1iyb h SER 63 Cb 0.27 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1iyb h SER 63 CO -0.00 0.24 0.00 1.56 -0.53 0.00 0.00 176.83 178.10 1iyb h GLN 64 N 0.22 0.00 0.00 2.24 1.08 -1.50 -3.10 115.11 114.05 1iyb h GLN 64 Ca 0.05 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.22 1iyb h GLN 64 Cb 0.15 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.51 1iyb h GLN 64 CO 0.00 0.00 -0.45 1.33 -0.95 0.00 0.00 178.83 178.76 1iyb n VAL 65 N -2.38 0.99 -0.34 -0.54 0.24 -0.53 -3.95 118.33 111.81 1iyb n VAL 65 Ca 0.02 -1.50 0.14 0.00 -2.04 0.00 0.00 64.34 60.95 1iyb n VAL 65 Cb 0.22 0.23 0.34 0.00 -1.47 0.00 0.00 33.84 33.17 1iyb n VAL 65 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1iyb h SER 66 N 0.38 0.74 0.04 -1.34 4.64 -1.28 0.80 113.55 117.53 1iyb h SER 66 Ca -0.04 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1iyb h SER 66 Cb 1.30 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1iyb h SER 66 CO 0.02 0.27 -0.00 -0.90 -0.87 0.00 0.00 176.83 175.35 1iyb n ASP 67 N -4.73 0.09 -0.09 4.97 5.75 -1.26 -3.21 116.55 118.08 1iyb n ASP 67 Ca 0.23 -0.98 0.03 0.00 -0.01 0.00 0.00 54.79 54.06 1iyb n ASP 67 Cb 0.59 -0.02 -0.01 0.00 -1.03 0.00 0.00 41.12 40.65 1iyb n ASP 67 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1iyb n LEU 68 N -0.95 0.69 -0.22 -2.12 4.77 0.22 -4.76 117.00 114.64 1iyb n LEU 68 Ca 0.23 -0.66 0.02 0.00 -0.03 0.00 0.00 56.01 55.57 1iyb n LEU 68 Cb 0.13 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.36 1iyb n LEU 68 CO 0.18 0.15 0.96 -0.29 -1.33 0.00 0.00 177.39 177.07 1iyb h ILE 69 N 0.42 0.68 -0.43 -0.08 6.09 -1.38 0.07 117.51 122.88 1iyb h ILE 69 Ca 0.00 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.37 1iyb h ILE 69 Cb 0.18 0.29 -0.02 0.00 0.47 0.00 0.00 36.82 37.74 1iyb h ILE 69 CO 0.00 0.06 0.28 0.28 -3.07 0.00 0.00 178.15 175.71 1iyb h SER 70 N 0.35 0.49 -0.54 2.19 0.02 -1.85 0.14 113.55 114.35 1iyb h SER 70 Ca 0.34 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.22 1iyb h SER 70 Cb 0.49 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 1iyb h SER 70 CO -0.38 0.36 0.14 0.03 -1.14 0.00 0.00 176.83 175.83 1iyb h ARG 71 N 0.58 0.91 -0.50 3.45 3.08 -1.73 -2.39 114.38 117.78 1iyb h ARG 71 Ca 0.16 -0.20 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 1iyb h ARG 71 Cb -0.07 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 1iyb h ARG 71 CO -0.04 0.82 -0.09 0.52 -1.07 0.00 0.00 179.97 180.11 1iyb h MET 72 N 0.87 0.93 -0.66 0.04 2.86 -0.38 0.64 114.93 119.24 1iyb h MET 72 Ca 0.19 -0.34 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 1iyb h MET 72 Cb 0.32 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 1iyb h MET 72 CO 0.00 1.00 0.29 1.96 1.06 0.00 0.00 176.91 181.22 1iyb h GLN 73 N 0.79 0.94 0.09 1.72 4.20 -0.47 0.22 115.11 122.60 1iyb h GLN 73 Ca 0.13 -0.14 -0.27 0.00 0.06 0.00 0.00 58.65 58.43 1iyb h GLN 73 Cb 0.64 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1iyb h GLN 73 CO 0.04 0.75 -1.28 1.96 -0.67 0.00 0.00 178.83 179.63 1iyb h GLN 74 N 0.93 0.19 0.00 1.46 1.08 -1.26 -3.38 115.11 114.14 1iyb h GLN 74 Ca 0.22 -0.33 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1iyb h GLN 74 Cb 0.14 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1iyb h GLN 74 CO -0.02 1.11 -0.47 0.09 -0.95 0.00 0.00 178.83 178.59 1iyb n ASN 75 N -3.45 0.48 -2.61 1.46 4.13 0.20 -4.71 115.26 110.77 1iyb n ASN 75 Ca -0.09 -0.72 -0.17 0.00 1.68 0.00 0.00 54.58 55.28 1iyb n ASN 75 Cb 1.01 1.00 0.01 0.00 -1.54 0.00 0.00 39.78 40.27 1iyb n ASN 75 CO 0.00 0.00 0.00 1.87 0.28 0.00 0.00 177.26 179.41 1iyb n TRP 76 N -1.23 2.13 -1.80 3.10 -0.00 0.77 -0.80 117.44 119.60 1iyb n TRP 76 Ca 0.02 -2.99 -0.34 0.00 -0.00 0.00 0.00 57.50 54.19 1iyb n TRP 76 Cb 0.15 -0.26 0.05 0.00 -0.00 0.00 0.00 31.31 31.25 1iyb n TRP 76 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 1iyb s PRO 77 N -3.28 2.81 -0.13 5.87 0.04 -1.25 -4.79 135.00 134.27 1iyb s PRO 77 Ca 0.37 1.48 -0.07 0.00 0.04 0.00 0.00 61.00 62.82 1iyb s PRO 77 Cb 0.43 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.98 1iyb s PRO 77 CO -0.06 -1.26 0.13 -0.08 0.04 0.00 0.00 177.00 175.77 1iyb s THR 78 N -2.18 5.41 -0.26 1.26 -1.32 -1.26 -4.91 115.64 112.38 1iyb s THR 78 Ca 0.69 0.18 0.09 0.00 -1.21 0.00 0.00 61.69 61.43 1iyb s THR 78 Cb -0.22 -3.37 0.20 0.00 -1.51 0.00 0.00 72.50 67.60 1iyb s THR 78 CO 0.39 0.59 1.14 0.18 -2.21 0.00 0.00 174.62 174.72 1iyb n LEU 79 N 2.22 2.53 -4.87 9.08 4.77 -1.26 -3.46 117.00 126.00 1iyb n LEU 79 Ca -0.19 -2.38 -0.31 0.00 -0.03 0.00 0.00 56.01 53.10 1iyb n LEU 79 Cb 0.54 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.43 1iyb n LEU 79 CO 0.32 0.62 0.70 0.00 -1.33 0.00 0.00 177.39 177.69 1iyb s ALA 80 N -1.66 3.12 0.02 -1.18 0.00 -1.26 -0.46 121.76 120.35 1iyb s ALA 80 Ca 0.18 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.01 1iyb s ALA 80 Cb 0.13 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 1iyb s ALA 80 CO 0.05 -0.68 0.05 0.00 0.00 0.00 0.00 175.76 175.18 1iyb s PRO 82 N -1.88 2.02 -0.19 0.00 0.04 -1.26 -5.04 135.00 128.69 1iyb s PRO 82 Ca 0.24 0.42 -0.41 0.00 0.04 0.00 0.00 61.00 61.29 1iyb s PRO 82 Cb -0.12 -1.93 -0.18 0.00 0.04 0.00 0.00 34.50 32.31 1iyb s PRO 82 CO 0.15 -1.62 1.47 0.45 0.04 0.00 0.00 177.00 177.49 1iyb n SER 83 N -3.39 1.39 -4.59 6.66 2.88 -1.26 -4.95 113.62 110.37 1iyb n SER 83 Ca 0.07 1.13 -0.27 0.00 -1.33 0.00 0.00 58.87 58.47 1iyb n SER 83 Cb 0.58 -1.04 -0.10 0.00 -0.75 0.00 0.00 64.21 62.90 1iyb n SER 83 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1iyb s GLY 84 N 1.93 2.50 0.29 0.46 0.00 -1.26 -4.74 107.32 106.49 1iyb s GLY 84 Ca 0.95 -1.96 0.16 0.00 0.00 0.00 0.00 44.72 43.87 1iyb s GLY 84 CO 0.64 -2.05 1.44 -0.91 0.00 0.00 0.00 173.10 172.21 1iyb h THR 85 N 1.78 0.77 0.00 0.90 1.35 -1.96 -0.40 112.91 115.36 1iyb h THR 85 Ca -0.43 -2.10 0.00 0.00 -0.55 0.00 0.00 66.41 63.33 1iyb h THR 85 Cb 1.25 2.37 0.00 0.00 -1.73 0.00 0.00 68.15 70.04 1iyb h THR 85 CO 0.77 0.44 0.00 0.61 -0.25 0.00 0.00 175.52 177.09 1iyb n GLY 86 N 1.22 2.06 0.36 5.82 0.00 -1.26 -4.83 105.19 108.56 1iyb n GLY 86 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.13 1iyb n GLY 86 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1iyb h SER 87 N 0.37 0.87 -0.13 1.61 0.02 -1.97 -0.70 113.55 113.62 1iyb h SER 87 Ca 0.00 0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 60.92 1iyb h SER 87 Cb 0.00 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 1iyb h SER 87 CO 0.00 0.43 -0.18 0.00 -1.14 0.00 0.00 176.83 175.94 1iyb h ALA 88 N 1.57 1.15 -0.06 3.77 0.00 -1.98 0.34 119.26 124.04 1iyb h ALA 88 Ca 0.51 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1iyb h ALA 88 Cb 0.59 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1iyb h ALA 88 CO -0.28 0.54 -0.18 0.35 0.00 0.00 0.00 179.25 179.68 1iyb h PHE 89 N 0.48 0.29 -0.55 0.00 3.57 -1.65 -1.92 116.94 117.16 1iyb h PHE 89 Ca 0.08 -0.12 -0.06 0.00 3.53 0.00 0.00 57.97 61.40 1iyb h PHE 89 Cb 0.59 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1iyb h PHE 89 CO 0.02 0.80 0.08 -1.49 -2.23 0.00 0.00 178.31 175.49 1iyb h TRP 90 N -0.30 0.92 -0.49 0.41 6.55 -1.11 -1.49 115.95 120.45 1iyb h TRP 90 Ca -0.01 -0.11 -0.02 0.00 0.95 0.00 0.00 58.89 59.70 1iyb h TRP 90 Cb 0.81 -0.26 -0.02 0.00 -0.86 0.00 0.00 29.16 28.83 1iyb h TRP 90 CO 0.13 0.80 0.22 1.03 -1.05 0.00 0.00 178.44 179.57 1iyb h SER 91 N 0.83 0.64 -0.49 -3.49 0.87 -0.94 -1.87 113.55 109.10 1iyb h SER 91 Ca 0.17 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 1iyb h SER 91 Cb 0.38 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1iyb h SER 91 CO 0.01 0.60 0.26 -0.74 -0.53 0.00 0.00 176.83 176.43 1iyb h HIS 92 N 0.64 0.68 -0.68 2.24 -0.00 -0.90 -0.47 115.15 116.66 1iyb h HIS 92 Ca 0.17 -0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.48 1iyb h HIS 92 Cb 0.14 -0.22 -0.03 0.00 -0.00 0.00 0.00 27.41 27.30 1iyb h HIS 92 CO -0.00 0.52 0.27 0.93 -0.00 0.00 0.00 177.93 179.65 1iyb h GLU 93 N 0.65 1.00 0.03 5.26 4.39 -1.08 -0.65 114.58 124.17 1iyb h GLU 93 Ca 0.17 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1iyb h GLU 93 Cb 0.07 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1iyb h GLU 93 CO -0.03 0.81 -0.02 2.35 -1.16 0.00 0.00 179.01 180.97 1iyb h TRP 94 N 0.98 -0.04 -0.47 4.33 2.91 -1.07 -0.33 115.95 122.27 1iyb h TRP 94 Ca 0.23 -0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.27 1iyb h TRP 94 Cb 0.19 0.01 -0.03 0.00 -0.51 0.00 0.00 29.16 28.82 1iyb h TRP 94 CO 0.02 0.40 0.28 0.93 -1.03 0.00 0.00 178.44 179.03 1iyb h GLU 95 N -0.49 0.54 0.10 2.65 5.08 -0.97 0.12 114.58 121.61 1iyb h GLU 95 Ca -0.00 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 1iyb h GLU 95 Cb 0.46 -0.12 0.02 0.00 0.50 0.00 0.00 28.75 29.61 1iyb h GLU 95 CO 0.01 0.36 -0.78 -0.22 -1.00 0.00 0.00 179.01 177.37 1iyb h LYS 96 N 0.55 0.35 0.00 2.33 3.64 -1.19 -3.32 116.57 118.93 1iyb h LYS 96 Ca 0.19 -0.51 -0.27 0.00 -1.27 0.00 0.00 60.65 58.79 1iyb h LYS 96 Cb 0.01 0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 1iyb h LYS 96 CO -0.08 1.21 -1.89 0.72 -2.27 0.00 0.00 179.45 177.14 1iyb n HIS 97 N -4.13 0.00 -0.22 1.91 8.25 -0.24 -1.19 115.22 119.60 1iyb n HIS 97 Ca -0.13 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.34 1iyb n HIS 97 Cb 0.79 -0.57 0.13 0.00 1.12 0.00 0.00 29.99 31.46 1iyb n HIS 97 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1iyb h GLY 98 N -0.48 0.94 1.26 -1.41 0.00 -0.25 -1.63 103.07 101.50 1iyb h GLY 98 Ca -0.40 -0.15 0.10 0.00 0.00 0.00 0.00 47.33 46.88 1iyb h GLY 98 CO -0.23 -0.01 0.28 -0.91 0.00 0.00 0.00 176.54 175.66 1iyb h THR 99 N 0.46 0.69 0.00 4.70 1.35 -1.01 0.39 112.91 119.49 1iyb h THR 99 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.19 1iyb h THR 99 Cb 0.41 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1iyb h THR 99 CO -0.31 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 174.96 1iyb n ALA 101 N -1.38 2.11 0.31 0.00 0.00 0.09 -4.79 120.51 116.85 1iyb n ALA 101 Ca 0.08 -1.95 0.20 0.00 0.00 0.00 0.00 53.44 51.77 1iyb n ALA 101 Cb 0.21 -0.32 1.07 0.00 0.00 0.00 0.00 19.45 20.41 1iyb n ALA 101 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1iyb h GLU 102 N 0.00 0.00 -0.45 0.00 4.11 -1.08 0.25 114.58 117.41 1iyb h GLU 102 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1iyb h GLU 102 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1iyb h GLU 102 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.17 1iyb n ASN 103 N -2.93 2.65 -0.01 3.06 3.02 -1.26 -4.03 115.26 115.77 1iyb n ASN 103 Ca -0.03 -1.96 -0.02 0.00 -0.03 0.00 0.00 54.58 52.55 1iyb n ASN 103 Cb 0.12 -0.30 -0.01 0.00 -0.61 0.00 0.00 39.78 38.98 1iyb n ASN 103 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1iyb n VAL 104 N 0.95 0.09 -4.07 2.41 0.31 0.68 -5.06 118.33 113.64 1iyb n VAL 104 Ca 0.17 -0.03 -0.15 0.00 -0.01 0.00 0.00 64.34 64.32 1iyb n VAL 104 Cb 0.43 -1.23 -0.15 0.00 -0.91 0.00 0.00 33.84 31.98 1iyb n VAL 104 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1iyb s PHE 105 N -2.03 0.35 0.65 3.52 0.40 -0.01 -5.04 117.98 115.82 1iyb s PHE 105 Ca -0.02 -0.06 -0.06 0.00 -0.60 0.00 0.00 56.93 56.18 1iyb s PHE 105 Cb 0.01 -0.25 0.14 0.00 0.51 0.00 0.00 43.02 43.43 1iyb s PHE 105 CO 0.03 -0.02 0.89 -0.40 0.70 0.00 0.00 175.22 176.42 1iyb n ASP 106 N 3.14 0.56 -0.12 1.36 5.75 -1.26 -3.88 116.55 122.09 1iyb n ASP 106 Ca -0.15 -1.62 -0.05 0.00 -0.01 0.00 0.00 54.79 52.97 1iyb n ASP 106 Cb 0.58 -0.64 0.01 0.00 -1.03 0.00 0.00 41.12 40.04 1iyb n ASP 106 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1iyb h GLN 107 N 0.00 -0.01 -0.48 0.11 4.20 -1.94 0.93 115.11 117.92 1iyb h GLN 107 Ca -0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.42 1iyb h GLN 107 Cb 0.92 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.68 1iyb h GLN 107 CO 0.25 -0.00 0.32 1.25 -0.67 0.00 0.00 178.83 179.97 1iyb h HIS 108 N -0.01 0.60 -0.61 2.96 2.76 -1.94 -2.07 115.15 116.85 1iyb h HIS 108 Ca 0.19 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.32 1iyb h HIS 108 Cb 0.30 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.03 1iyb h HIS 108 CO -0.36 0.38 0.16 0.78 -1.30 0.00 0.00 177.93 177.59 1iyb h GLY 109 N 0.65 1.01 0.85 5.26 0.00 -1.73 -0.96 103.07 108.15 1iyb h GLY 109 Ca 0.17 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 1iyb h GLY 109 CO -0.04 0.55 -0.16 -1.82 0.00 0.00 0.00 176.54 175.07 1iyb h TYR 110 N 0.90 -0.41 -0.60 5.60 3.20 -0.54 0.23 116.97 125.34 1iyb h TYR 110 Ca 0.20 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 1iyb h TYR 110 Cb 0.30 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1iyb h TYR 110 CO 0.02 -0.16 0.08 0.74 -1.64 0.00 0.00 178.16 177.20 1iyb h PHE 111 N -0.60 1.05 -0.67 -3.82 -1.00 -1.34 -2.42 116.94 108.13 1iyb h PHE 111 Ca -0.05 -0.14 -0.04 0.00 2.81 0.00 0.00 57.97 60.55 1iyb h PHE 111 Cb 0.44 -0.29 -0.03 0.00 3.61 0.00 0.00 35.95 39.68 1iyb h PHE 111 CO -0.02 0.90 0.25 -0.22 -1.61 0.00 0.00 178.31 177.61 1iyb h LYS 112 N 0.93 1.02 -0.45 1.51 3.64 -1.11 -1.50 116.57 120.61 1iyb h LYS 112 Ca 0.19 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1iyb h LYS 112 Cb 0.43 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1iyb h LYS 112 CO 0.01 0.87 0.25 -0.22 -2.27 0.00 0.00 179.45 178.09 1iyb h LYS 113 N 0.97 0.63 -0.45 1.90 1.63 -0.69 0.66 116.57 121.22 1iyb h LYS 113 Ca 0.22 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.94 1iyb h LYS 113 Cb 0.24 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 1iyb h LYS 113 CO -0.01 0.49 0.26 0.00 -3.45 0.00 0.00 179.45 176.73 1iyb h ALA 114 N 1.10 0.57 -0.69 5.00 0.00 -1.24 -0.08 119.26 123.92 1iyb h ALA 114 Ca 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1iyb h ALA 114 Cb 0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1iyb h ALA 114 CO -0.03 0.09 0.39 -0.07 0.00 0.00 0.00 179.25 179.63 1iyb h LEU 115 N 0.59 0.86 -0.69 0.00 4.07 -0.98 -1.97 115.31 117.20 1iyb h LEU 115 Ca 0.16 -0.09 -0.08 0.00 0.08 0.00 0.00 57.88 57.95 1iyb h LEU 115 Cb 0.03 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.53 1iyb h LEU 115 CO -0.03 0.70 0.13 0.44 -1.08 0.00 0.00 178.44 178.60 1iyb h ASP 116 N 0.95 1.08 -0.71 -0.43 3.45 -0.49 -2.10 116.42 118.17 1iyb h ASP 116 Ca 0.25 -0.25 -0.05 0.00 0.43 0.00 0.00 57.03 57.40 1iyb h ASP 116 Cb 0.02 -0.29 -0.03 0.00 -0.56 0.00 0.00 39.33 38.47 1iyb h ASP 116 CO -0.04 1.06 0.23 -0.07 -1.57 0.00 0.00 179.24 178.85 1iyb h LEU 117 N 1.06 1.03 -1.05 1.55 3.38 -0.73 -1.71 115.31 118.84 1iyb h LEU 117 Ca 0.21 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1iyb h LEU 117 Cb 0.42 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1iyb h LEU 117 CO 0.01 0.95 -0.12 0.50 0.09 0.00 0.00 178.44 179.87 1iyb h LYS 118 N 1.06 0.54 -0.56 1.13 3.64 -1.09 -0.62 116.57 120.68 1iyb h LYS 118 Ca 0.23 -0.16 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 1iyb h LYS 118 Cb 0.28 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1iyb h LYS 118 CO -0.01 0.65 0.06 -0.91 -2.27 0.00 0.00 179.45 176.97 1iyb h ASN 119 N 0.50 0.87 0.54 4.20 2.35 -0.79 -3.01 115.58 120.24 1iyb h ASN 119 Ca 0.09 -0.20 -0.15 0.00 -0.55 0.00 0.00 56.30 55.49 1iyb h ASN 119 Cb 0.51 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 1iyb h ASN 119 CO 0.03 0.89 -0.68 -0.61 -1.65 0.00 0.00 177.43 175.42 1iyb h GLN 120 N 0.85 0.12 -4.27 0.81 4.15 -0.68 -3.40 115.11 112.68 1iyb h GLN 120 Ca 0.17 -0.10 -0.65 0.00 0.77 0.00 0.00 58.65 58.84 1iyb h GLN 120 Cb 0.42 0.02 -0.40 0.00 0.21 0.00 0.00 27.48 27.73 1iyb h GLN 120 CO 0.01 0.75 -0.69 0.42 -1.93 0.00 0.00 178.83 177.40 1iyb s ILE 121 N -3.55 2.39 -0.93 2.39 1.01 -0.30 -5.04 121.20 117.18 1iyb s ILE 121 Ca -0.02 -2.66 -0.18 0.00 0.00 0.00 0.00 60.65 57.79 1iyb s ILE 121 Cb 0.12 -2.73 0.15 0.00 0.01 0.00 0.00 42.46 40.00 1iyb s ILE 121 CO 0.79 -0.66 1.09 0.21 0.00 0.00 0.00 174.94 176.37 1iyb s ASN 122 N 0.53 6.67 0.20 3.58 3.84 -1.26 -4.74 114.94 123.76 1iyb s ASN 122 Ca 0.13 -2.18 -0.11 0.00 0.21 0.00 0.00 52.86 50.90 1iyb s ASN 122 Cb -0.21 -2.37 0.16 0.00 -0.55 0.00 0.00 41.25 38.28 1iyb s ASN 122 CO -0.05 -0.98 1.83 -0.07 -2.79 0.00 0.00 177.10 175.03 1iyb h LEU 123 N 10.01 0.61 -0.47 3.21 3.38 -1.96 -1.65 115.31 128.45 1iyb h LEU 123 Ca 0.16 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1iyb h LEU 123 Cb 1.02 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1iyb h LEU 123 CO 1.07 0.42 0.25 0.25 0.09 0.00 0.00 178.44 180.52 1iyb h LEU 124 N 0.74 0.59 -0.70 1.67 5.85 -1.98 -0.35 115.31 121.12 1iyb h LEU 124 Ca 0.26 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 1iyb h LEU 124 Cb 0.05 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 1iyb h LEU 124 CO -0.11 0.51 0.18 -0.33 -0.34 0.00 0.00 178.44 178.35 1iyb h GLU 125 N 0.62 1.12 -0.27 1.25 5.08 -1.93 -0.03 114.58 120.42 1iyb h GLU 125 Ca 0.16 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1iyb h GLU 125 Cb 0.06 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1iyb h GLU 125 CO -0.03 0.98 0.12 0.82 -1.00 0.00 0.00 179.01 179.91 1iyb h ILE 126 N 1.06 1.15 -0.20 3.13 2.04 -1.02 -0.92 117.51 122.75 1iyb h ILE 126 Ca 0.22 -0.45 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 1iyb h ILE 126 Cb 0.36 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1iyb h ILE 126 CO 0.00 0.16 -0.02 -0.07 0.00 0.00 0.00 178.15 178.21 1iyb h LEU 127 N 0.29 0.38 -1.54 1.44 3.38 -0.88 -2.86 115.31 115.52 1iyb h LEU 127 Ca 0.09 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 1iyb h LEU 127 Cb 0.14 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1iyb h LEU 127 CO -0.01 0.62 -0.23 1.56 0.09 0.00 0.00 178.44 180.47 1iyb h GLN 128 N 0.12 0.00 0.00 1.13 4.20 -0.76 -0.34 115.11 119.46 1iyb h GLN 128 Ca 0.06 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 1iyb h GLN 128 Cb 0.45 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1iyb h GLN 128 CO 0.02 0.23 -0.25 0.78 -0.67 0.00 0.00 178.83 178.94 1iyb h GLY 129 N 1.07 0.00 -2.98 3.46 0.00 -0.98 -1.82 103.07 101.81 1iyb h GLY 129 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1iyb h GLY 129 CO 0.03 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.57 1iyb n ALA 130 N -2.39 3.36 -1.49 3.60 0.00 -0.41 -4.92 120.51 118.26 1iyb n ALA 130 Ca -0.02 -1.51 -0.07 0.00 0.00 0.00 0.00 53.44 51.84 1iyb n ALA 130 Cb 0.34 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 1iyb n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iyb n GLY 131 N 0.80 0.66 3.21 0.00 0.00 -0.69 -5.01 105.19 104.16 1iyb n GLY 131 Ca 0.23 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 45.20 1iyb n GLY 131 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iyb s ILE 132 N -2.29 3.39 0.19 -0.61 1.01 -0.27 -4.99 121.20 117.63 1iyb s ILE 132 Ca 0.00 -1.37 0.11 0.00 0.00 0.00 0.00 60.65 59.39 1iyb s ILE 132 Cb 0.00 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 1iyb s ILE 132 CO 0.00 -0.23 -0.23 -1.00 0.00 0.00 0.00 174.94 173.49 1iyb s HIS 133 N 1.30 2.34 -1.50 3.97 3.76 -1.26 -2.65 115.29 121.25 1iyb s HIS 133 Ca -0.02 -0.34 -0.12 0.00 -0.15 0.00 0.00 55.06 54.43 1iyb s HIS 133 Cb -0.20 -1.17 0.01 0.00 1.11 0.00 0.00 32.58 32.33 1iyb s HIS 133 CO 0.00 0.49 2.48 -0.35 -0.85 0.00 0.00 174.74 176.51 1iyb n PRO 134 N 0.30 3.32 -0.21 8.40 -0.04 -1.26 -4.49 135.00 141.01 1iyb n PRO 134 Ca -0.13 -2.58 0.06 0.00 -0.04 0.00 0.00 63.50 60.81 1iyb n PRO 134 Cb 0.56 -3.05 0.17 0.00 -0.04 0.00 0.00 33.50 31.13 1iyb n PRO 134 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1iyb n ASP 135 N 4.78 3.05 0.00 3.54 5.68 -1.09 -3.75 116.55 128.75 1iyb n ASP 135 Ca 0.61 -2.09 0.00 0.00 -0.50 0.00 0.00 54.79 52.82 1iyb n ASP 135 Cb 0.32 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 1iyb n ASP 135 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1iyb n GLY 136 N 0.46 1.19 3.92 6.12 0.00 -0.20 -4.78 105.19 111.89 1iyb n GLY 136 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1iyb n GLY 136 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iyb s GLY 137 N -1.76 1.66 -0.01 -0.02 0.00 -1.26 -4.68 107.32 101.24 1iyb s GLY 137 Ca 0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 44.72 43.84 1iyb s GLY 137 CO 0.00 -0.35 0.17 -1.36 0.00 0.00 0.00 173.10 171.56 1iyb s PHE 138 N -3.51 3.52 0.05 1.90 0.40 -1.26 -1.88 117.98 117.20 1iyb s PHE 138 Ca 0.63 0.35 0.01 0.00 -0.60 0.00 0.00 56.93 57.32 1iyb s PHE 138 Cb -0.10 -1.82 -0.03 0.00 0.51 0.00 0.00 43.02 41.58 1iyb s PHE 138 CO 0.48 0.64 -0.05 0.71 0.70 0.00 0.00 175.22 177.70 1iyb s TYR 139 N -1.30 0.53 0.18 0.36 1.51 0.16 -4.92 117.35 113.87 1iyb s TYR 139 Ca 0.26 -0.71 -0.30 0.00 -1.01 0.00 0.00 57.07 55.32 1iyb s TYR 139 Cb -0.13 -0.35 -0.08 0.00 -0.11 0.00 0.00 41.96 41.30 1iyb s TYR 139 CO 0.18 -0.20 1.17 -1.54 -1.11 0.00 0.00 175.55 174.05 1iyb s SER 140 N -2.08 7.14 0.26 2.29 1.04 -1.26 -0.70 113.70 120.38 1iyb s SER 140 Ca -0.05 2.19 -0.03 0.00 0.48 0.00 0.00 55.95 58.54 1iyb s SER 140 Cb -0.03 -2.61 0.42 0.00 0.10 0.00 0.00 66.02 63.90 1iyb s SER 140 CO -0.03 -0.33 1.84 0.25 0.98 0.00 0.00 173.24 175.95 1iyb h LEU 141 N 5.22 0.85 -0.87 2.42 5.85 -1.24 -1.94 115.31 125.61 1iyb h LEU 141 Ca -0.44 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.28 1iyb h LEU 141 Cb 1.21 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.06 1iyb h LEU 141 CO 0.74 0.51 0.46 -1.13 -0.34 0.00 0.00 178.44 178.67 1iyb h ASN 142 N 0.97 1.11 0.03 1.25 -0.73 -1.91 -1.68 115.58 114.61 1iyb h ASN 142 Ca 0.42 -0.11 -0.09 0.00 1.87 0.00 0.00 56.30 58.39 1iyb h ASN 142 Cb 0.30 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.59 1iyb h ASN 142 CO -0.22 0.91 -0.26 0.77 -0.37 0.00 0.00 177.43 178.26 1iyb h SER 143 N 1.23 0.37 -0.28 1.15 4.64 -1.75 0.23 113.55 119.13 1iyb h SER 143 Ca 0.30 -0.12 -0.08 0.00 -0.47 0.00 0.00 61.79 61.42 1iyb h SER 143 Cb 0.06 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1iyb h SER 143 CO -0.04 0.63 -0.15 0.40 -0.87 0.00 0.00 176.83 176.79 1iyb h ILE 144 N 0.33 1.30 -0.42 0.95 2.04 -1.02 -1.61 117.51 119.08 1iyb h ILE 144 Ca 0.05 -1.25 -0.07 0.00 1.00 0.00 0.00 64.86 64.59 1iyb h ILE 144 Cb 0.63 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1iyb h ILE 144 CO 0.05 0.40 -0.01 0.11 0.00 0.00 0.00 178.15 178.70 1iyb h LYS 145 N 0.33 0.75 -0.79 2.37 1.57 -1.07 -2.78 116.57 116.95 1iyb h LYS 145 Ca 0.06 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.56 1iyb h LYS 145 Cb 0.67 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.88 1iyb h LYS 145 CO 0.04 0.83 0.33 -0.91 -0.57 0.00 0.00 179.45 179.17 1iyb h ASN 146 N 0.58 1.07 -0.25 0.86 2.35 -0.92 -0.24 115.58 119.03 1iyb h ASN 146 Ca 0.12 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1iyb h ASN 146 Cb 0.49 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1iyb h ASN 146 CO 0.02 0.93 0.15 0.00 -1.65 0.00 0.00 177.43 176.89 1iyb h ALA 147 N 1.22 0.33 -0.44 -0.83 0.00 -1.21 0.09 119.26 118.41 1iyb h ALA 147 Ca 0.27 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 1iyb h ALA 147 Cb 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1iyb h ALA 147 CO -0.03 -0.17 -0.26 0.82 0.00 0.00 0.00 179.25 179.62 1iyb h ILE 148 N 0.32 1.27 -0.73 0.00 2.04 -1.28 -2.64 117.51 116.48 1iyb h ILE 148 Ca 0.09 -1.42 -0.04 0.00 1.00 0.00 0.00 64.86 64.49 1iyb h ILE 148 Cb 0.02 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1iyb h ILE 148 CO -0.02 0.48 0.30 -0.09 0.00 0.00 0.00 178.15 178.83 1iyb h ARG 149 N 0.79 1.09 -0.21 2.37 2.43 -0.85 -0.69 114.38 119.31 1iyb h ARG 149 Ca 0.09 -0.19 -0.05 0.00 -0.81 0.00 0.00 59.98 59.02 1iyb h ARG 149 Cb 0.84 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 1iyb h ARG 149 CO 0.07 0.89 -0.08 0.77 -1.51 0.00 0.00 179.97 180.12 1iyb h SER 150 N 1.05 0.30 0.13 -3.80 0.02 -0.88 0.13 113.55 110.51 1iyb h SER 150 Ca 0.24 -0.06 -0.18 0.00 -0.84 0.00 0.00 61.79 60.95 1iyb h SER 150 Cb 0.20 -0.08 0.02 0.00 0.14 0.00 0.00 62.40 62.68 1iyb h SER 150 CO -0.02 0.42 -0.82 0.00 -1.14 0.00 0.00 176.83 175.27 1iyb h ALA 151 N 1.62 -0.07 0.00 3.77 0.00 -1.05 -3.39 119.26 120.14 1iyb h ALA 151 Ca 0.07 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1iyb h ALA 151 Cb 0.34 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1iyb h ALA 151 CO 0.02 0.39 -1.12 0.44 0.00 0.00 0.00 179.25 178.98 1iyb n ILE 152 N -4.13 0.00 -0.01 0.00 -5.35 -0.31 -5.00 119.36 104.55 1iyb n ILE 152 Ca -0.15 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 1iyb n ILE 152 Cb 0.81 0.79 0.00 0.00 -1.74 0.00 0.00 39.64 39.50 1iyb n ILE 152 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1iyb n GLY 153 N 1.43 0.33 3.02 3.28 0.00 0.46 -5.05 105.19 108.66 1iyb n GLY 153 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1iyb n GLY 153 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iyb s TYR 154 N -2.11 0.31 0.24 1.61 1.51 -1.23 -4.98 117.35 112.70 1iyb s TYR 154 Ca 0.00 -0.65 -0.30 0.00 -1.01 0.00 0.00 57.07 55.11 1iyb s TYR 154 Cb 0.00 -0.23 -0.09 0.00 -0.11 0.00 0.00 41.96 41.53 1iyb s TYR 154 CO 0.00 -0.25 1.14 0.00 -1.11 0.00 0.00 175.55 175.33 1iyb s ALA 155 N -2.12 3.42 0.50 3.71 0.00 -1.26 -3.82 121.76 122.19 1iyb s ALA 155 Ca -0.10 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1iyb s ALA 155 Cb -0.05 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.72 1iyb s ALA 155 CO -0.03 -0.26 0.73 -1.25 0.00 0.00 0.00 175.76 174.95 1iyb s PRO 156 N -0.97 2.82 0.03 0.00 0.04 -1.26 -4.65 135.00 131.01 1iyb s PRO 156 Ca 0.48 -0.58 -0.14 0.00 0.04 0.00 0.00 61.00 60.80 1iyb s PRO 156 Cb -0.32 -2.51 -0.06 0.00 0.04 0.00 0.00 34.50 31.65 1iyb s PRO 156 CO 0.40 -0.50 0.42 0.20 0.04 0.00 0.00 177.00 177.56 1iyb s GLY 157 N -4.31 2.45 -0.10 0.56 0.00 0.78 -4.91 107.32 101.79 1iyb s GLY 157 Ca 0.53 -0.24 0.01 0.00 0.00 0.00 0.00 44.72 45.02 1iyb s GLY 157 CO 0.39 0.09 -0.13 -0.42 0.00 0.00 0.00 173.10 173.02 1iyb s ILE 158 N -1.18 1.33 -0.06 0.90 -1.09 -1.26 -0.12 121.20 119.72 1iyb s ILE 158 Ca 0.27 -0.53 0.04 0.00 -2.23 0.00 0.00 60.65 58.20 1iyb s ILE 158 Cb -0.16 -1.24 -0.02 0.00 -1.58 0.00 0.00 42.46 39.46 1iyb s ILE 158 CO 0.15 0.41 -0.19 -0.70 -1.23 0.00 0.00 174.94 173.38 1iyb s GLU 159 N 1.11 2.59 0.06 2.79 2.12 -0.04 -4.08 118.70 123.25 1iyb s GLU 159 Ca -0.05 -0.80 0.08 0.00 0.36 0.00 0.00 54.97 54.56 1iyb s GLU 159 Cb -0.14 -2.30 -0.03 0.00 0.26 0.00 0.00 34.13 31.92 1iyb s GLU 159 CO -0.03 0.48 -0.19 0.00 -0.54 0.00 0.00 175.26 174.98 1iyb n ASN 161 N 1.40 2.47 -4.38 0.00 2.04 -1.17 -4.77 115.26 110.85 1iyb n ASN 161 Ca -0.16 -1.79 -0.32 0.00 -0.44 0.00 0.00 54.58 51.86 1iyb n ASN 161 Cb 0.52 0.12 -0.15 0.00 -2.53 0.00 0.00 39.78 37.75 1iyb n ASN 161 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1iyb s VAL 162 N -1.63 2.72 0.69 3.53 1.01 -1.26 -1.90 120.40 123.57 1iyb s VAL 162 Ca 0.00 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.09 1iyb s VAL 162 Cb -0.00 -2.07 0.15 0.00 0.00 0.00 0.00 36.38 34.46 1iyb s VAL 162 CO 0.00 0.56 0.94 -0.90 0.00 0.00 0.00 175.10 175.71 1iyb n ASP 163 N 2.87 0.50 0.02 3.32 3.85 -0.50 -4.64 116.55 121.96 1iyb n ASP 163 Ca -0.18 -1.60 0.14 0.00 -0.71 0.00 0.00 54.79 52.44 1iyb n ASP 163 Cb 0.52 -0.68 0.59 0.00 -1.35 0.00 0.00 41.12 40.21 1iyb n ASP 163 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1iyb h GLU 164 N 0.00 0.18 -0.00 0.11 5.08 -1.82 -0.43 114.58 117.70 1iyb h GLU 164 Ca -0.31 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1iyb h GLU 164 Cb 0.95 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1iyb h GLU 164 CO 0.26 0.12 -0.20 0.43 -1.00 0.00 0.00 179.01 178.62 1iyb n SER 165 N -4.45 0.31 0.00 1.42 7.64 -1.26 -4.91 113.62 112.37 1iyb n SER 165 Ca 0.07 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1iyb n SER 165 Cb 0.39 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 1iyb n SER 165 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iyb n GLY 166 N 1.43 0.47 3.77 0.23 0.00 -0.17 -5.08 105.19 105.84 1iyb n GLY 166 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1iyb n GLY 166 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1iyb s ASN 167 N -2.77 7.19 0.26 1.61 0.02 -1.26 -4.67 114.94 115.33 1iyb s ASN 167 Ca 0.00 2.09 -0.29 0.00 -1.02 0.00 0.00 52.86 53.64 1iyb s ASN 167 Cb 0.00 -2.61 -0.09 0.00 0.02 0.00 0.00 41.25 38.57 1iyb s ASN 167 CO 0.00 -0.18 1.14 -0.44 0.02 0.00 0.00 177.10 177.63 1iyb s SER 168 N -1.23 7.19 0.05 -1.22 0.01 -1.26 -1.41 113.70 115.83 1iyb s SER 168 Ca 0.49 2.29 0.01 0.00 1.31 0.00 0.00 55.95 60.04 1iyb s SER 168 Cb -0.26 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.31 1iyb s SER 168 CO 0.33 -0.22 -0.05 0.00 0.41 0.00 0.00 173.24 173.71 1iyb s GLN 169 N -1.22 0.55 -0.33 12.44 -2.07 -0.80 -1.89 119.66 126.35 1iyb s GLN 169 Ca 0.47 -0.96 -0.28 0.00 -1.82 0.00 0.00 55.36 52.77 1iyb s GLN 169 Cb -0.33 -0.01 -0.03 0.00 -1.09 0.00 0.00 33.01 31.55 1iyb s GLN 169 CO 0.41 -0.04 1.96 -1.17 -1.32 0.00 0.00 175.29 175.13 1iyb s LEU 170 N -2.21 3.46 -0.08 2.60 2.96 -0.14 -3.04 118.68 122.24 1iyb s LEU 170 Ca -0.03 1.37 -0.10 0.00 -0.22 0.00 0.00 54.13 55.16 1iyb s LEU 170 Cb -0.02 -3.37 -0.04 0.00 0.50 0.00 0.00 46.19 43.26 1iyb s LEU 170 CO -0.04 -1.91 -0.20 0.00 -1.32 0.00 0.00 176.35 172.88 1iyb n TYR 171 N 11.23 0.00 -4.31 5.38 9.36 -0.91 -4.69 117.16 133.22 1iyb n TYR 171 Ca 0.25 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.28 1iyb n TYR 171 Cb 0.47 -0.33 -0.13 0.00 -0.63 0.00 0.00 39.34 38.72 1iyb n TYR 171 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1iyb s GLN 172 N -2.47 0.89 -0.12 2.98 -0.21 -0.58 -0.70 119.66 119.45 1iyb s GLN 172 Ca -0.17 -0.77 0.03 0.00 0.02 0.00 0.00 55.36 54.46 1iyb s GLN 172 Cb 0.03 -0.89 0.01 0.00 1.00 0.00 0.00 33.01 33.16 1iyb s GLN 172 CO 0.25 0.22 -0.22 0.42 -2.12 0.00 0.00 175.29 173.84 1iyb s ILE 173 N -0.91 1.97 -0.19 1.08 1.01 -0.57 -0.86 121.20 122.73 1iyb s ILE 173 Ca 0.01 -0.94 -0.06 0.00 0.00 0.00 0.00 60.65 59.66 1iyb s ILE 173 Cb -0.08 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 1iyb s ILE 173 CO 0.01 0.53 0.02 -0.31 0.00 0.00 0.00 174.94 175.20 1iyb s TYR 174 N 0.69 3.11 -0.12 3.97 1.51 0.83 -2.09 117.35 125.25 1iyb s TYR 174 Ca -0.11 -0.24 0.02 0.00 -1.01 0.00 0.00 57.07 55.73 1iyb s TYR 174 Cb -0.16 -2.08 -0.01 0.00 -0.11 0.00 0.00 41.96 39.60 1iyb s TYR 174 CO 0.01 -0.08 -0.18 0.42 -1.11 0.00 0.00 175.55 174.61 1iyb s ILE 175 N 0.74 2.61 0.03 2.71 -1.09 -0.30 -0.16 121.20 125.74 1iyb s ILE 175 Ca 0.01 -0.82 -0.21 0.00 -2.23 0.00 0.00 60.65 57.40 1iyb s ILE 175 Cb -0.14 -2.06 -0.06 0.00 -1.58 0.00 0.00 42.46 38.62 1iyb s ILE 175 CO 0.02 0.54 0.61 0.00 -1.23 0.00 0.00 174.94 174.88 1iyb s VAL 177 N -0.51 1.05 1.01 0.00 1.01 -0.57 -2.18 120.40 120.21 1iyb s VAL 177 Ca 0.31 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 61.23 1iyb s VAL 177 Cb -0.19 -0.95 0.19 0.00 0.00 0.00 0.00 36.38 35.43 1iyb s VAL 177 CO 0.19 0.01 1.08 1.51 0.00 0.00 0.00 175.10 177.89 1iyb s ASP 178 N -1.06 2.51 0.58 3.32 1.47 0.04 -1.12 116.67 122.41 1iyb s ASP 178 Ca 0.01 1.31 0.30 0.00 1.18 0.00 0.00 52.55 55.35 1iyb s ASP 178 Cb -0.08 -1.99 1.63 0.00 -0.34 0.00 0.00 42.92 42.15 1iyb s ASP 178 CO 0.01 -3.22 1.90 1.23 0.68 0.00 0.00 175.17 175.77 1iyb h GLY 179 N -1.95 0.00 1.04 2.12 0.00 -1.85 0.14 103.07 102.56 1iyb h GLY 179 Ca -0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1iyb h GLY 179 CO 0.56 0.00 -0.63 -1.14 0.00 0.00 0.00 176.54 175.33 1iyb n SER 180 N -2.73 0.61 -0.15 0.19 3.41 -1.26 -4.47 113.62 109.22 1iyb n SER 180 Ca -0.02 -0.04 -0.02 0.00 -0.26 0.00 0.00 58.87 58.53 1iyb n SER 180 Cb 0.26 0.27 -0.01 0.00 -0.26 0.00 0.00 64.21 64.47 1iyb n SER 180 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iyb n GLY 181 N 1.40 0.51 0.01 5.00 0.00 0.48 -4.91 105.19 107.68 1iyb n GLY 181 Ca 0.04 -0.26 0.11 0.00 0.00 0.00 0.00 46.02 45.91 1iyb n GLY 181 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1iyb n SER 182 N 0.15 0.42 -3.78 1.61 7.64 -1.26 -4.94 113.62 113.46 1iyb n SER 182 Ca -0.02 -0.34 -0.13 0.00 1.01 0.00 0.00 58.87 59.39 1iyb n SER 182 Cb 0.16 1.49 -0.10 0.00 -1.01 0.00 0.00 64.21 64.76 1iyb n SER 182 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1iyb s ASN 183 N -3.98 -0.21 0.48 6.43 0.01 -1.26 -5.03 114.94 111.37 1iyb s ASN 183 Ca -0.01 0.24 -0.21 0.00 -0.71 0.00 0.00 52.86 52.17 1iyb s ASN 183 Cb 0.15 0.41 -0.08 0.00 0.41 0.00 0.00 41.25 42.14 1iyb s ASN 183 CO 0.88 -0.31 1.07 -0.76 -1.51 0.00 0.00 177.10 176.46 1iyb s LEU 184 N -0.79 3.88 0.15 0.60 1.43 -1.26 -0.78 118.68 121.90 1iyb s LEU 184 Ca -0.09 2.02 -0.05 0.00 -1.03 0.00 0.00 54.13 54.98 1iyb s LEU 184 Cb -0.04 -4.49 -0.02 0.00 0.03 0.00 0.00 46.19 41.67 1iyb s LEU 184 CO 0.03 -0.83 0.18 0.27 0.23 0.00 0.00 176.35 176.22 1iyb s ILE 185 N -1.86 0.09 0.29 -0.59 -4.36 -0.93 -4.79 121.20 109.04 1iyb s ILE 185 Ca 0.67 -1.61 -0.29 0.00 -0.26 0.00 0.00 60.65 59.16 1iyb s ILE 185 Cb -0.19 -1.91 -0.10 0.00 1.25 0.00 0.00 42.46 41.51 1iyb s ILE 185 CO 0.23 -0.39 1.23 -1.61 0.24 0.00 0.00 174.94 174.65 1iyb s GLU 186 N -4.00 4.46 0.08 0.37 0.41 -1.26 -4.50 118.70 114.27 1iyb s GLU 186 Ca 0.19 2.04 -0.31 0.00 -0.41 0.00 0.00 54.97 56.48 1iyb s GLU 186 Cb 0.05 -3.14 -0.08 0.00 -1.78 0.00 0.00 34.13 29.18 1iyb s GLU 186 CO 0.00 -0.06 1.60 0.00 -0.49 0.00 0.00 175.26 176.31 1iyb h PRO 188 N 7.92 0.00 -2.13 0.00 0.11 -1.95 -3.44 132.00 132.51 1iyb h PRO 188 Ca -0.42 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.62 1iyb h PRO 188 Cb 1.20 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.11 1iyb h PRO 188 CO 0.92 0.36 0.12 -1.50 -0.21 0.00 0.00 178.00 177.69 1iyb s ILE 189 N -4.07 0.01 0.18 4.15 2.07 -1.26 -5.02 121.20 117.25 1iyb s ILE 189 Ca -0.02 -0.05 0.08 0.00 -1.41 0.00 0.00 60.65 59.25 1iyb s ILE 189 Cb 0.14 -0.95 -0.04 0.00 0.13 0.00 0.00 42.46 41.74 1iyb s ILE 189 CO 0.71 -0.03 -0.01 -0.36 -1.91 0.00 0.00 174.94 173.34 1iyb s PHE 190 N -0.83 2.82 0.55 3.50 0.08 -1.26 -5.05 117.98 117.80 1iyb s PHE 190 Ca -0.09 -0.15 -0.18 0.00 0.12 0.00 0.00 56.93 56.64 1iyb s PHE 190 Cb -0.02 -1.36 -0.06 0.00 -0.57 0.00 0.00 43.02 41.02 1iyb s PHE 190 CO 0.07 0.52 1.07 -1.25 -0.10 0.00 0.00 175.22 175.53 1iyb s PRO 191 N -2.96 3.46 -0.20 0.24 0.04 -1.26 -4.93 135.00 129.40 1iyb s PRO 191 Ca 0.27 1.34 -0.29 0.00 0.04 0.00 0.00 61.00 62.37 1iyb s PRO 191 Cb -0.09 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 1iyb s PRO 191 CO 0.18 -0.71 1.79 1.03 0.04 0.00 0.00 177.00 179.33 1iyb s ARG 192 N -3.63 3.67 0.09 4.56 0.52 -1.26 -4.80 118.95 118.10 1iyb s ARG 192 Ca 0.67 1.83 -0.14 0.00 -0.52 0.00 0.00 55.73 57.57 1iyb s ARG 192 Cb -0.18 -4.13 -0.14 0.00 0.52 0.00 0.00 34.95 31.02 1iyb s ARG 192 CO 0.29 -1.45 1.32 0.78 0.02 0.00 0.00 175.30 176.26 1iyb h GLY 193 N 12.36 0.81 -2.84 -3.53 0.00 -1.92 -3.46 103.07 104.49 1iyb h GLY 193 Ca -0.37 -1.07 -0.33 0.00 0.00 0.00 0.00 47.33 45.56 1iyb h GLY 193 CO 0.99 0.96 -0.45 0.28 0.00 0.00 0.00 176.54 178.32 1iyb n LYS 194 N -4.06 -2.30 -4.08 4.80 5.02 -1.26 -0.95 118.16 115.33 1iyb n LYS 194 Ca -0.07 0.77 -0.32 0.00 -2.02 0.00 0.00 58.31 56.67 1iyb n LYS 194 Cb 0.66 -5.21 -0.07 0.00 -0.02 0.00 0.00 35.03 30.39 1iyb n LYS 194 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iyb s GLY 196 N -1.93 1.77 0.44 0.00 0.00 -1.26 -4.97 107.32 101.37 1iyb s GLY 196 Ca 0.25 -1.54 0.21 0.00 0.00 0.00 0.00 44.72 43.64 1iyb s GLY 196 CO 0.17 -0.91 1.89 1.48 0.00 0.00 0.00 173.10 175.73 1iyb h SER 197 N -0.91 0.00 -3.30 1.64 4.64 -2.00 -3.41 113.55 110.22 1iyb h SER 197 Ca -0.39 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.28 1iyb h SER 197 Cb 1.26 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 63.01 1iyb h SER 197 CO 0.40 0.26 -0.86 -0.44 -0.87 0.00 0.00 176.83 175.31 1iyb s SER 198 N -6.42 2.85 0.07 4.97 0.01 -1.26 -0.84 113.70 113.08 1iyb s SER 198 Ca -0.02 -0.52 0.05 0.00 1.31 0.00 0.00 55.95 56.77 1iyb s SER 198 Cb 0.12 -1.31 -0.03 0.00 0.21 0.00 0.00 66.02 65.02 1iyb s SER 198 CO 0.65 0.10 -0.13 0.27 0.41 0.00 0.00 173.24 174.54 1iyb s ILE 199 N 0.61 1.03 0.27 1.44 -4.36 0.12 -4.83 121.20 115.49 1iyb s ILE 199 Ca -0.13 -1.31 -0.20 0.00 -0.26 0.00 0.00 60.65 58.74 1iyb s ILE 199 Cb -0.17 -1.04 -0.09 0.00 1.25 0.00 0.00 42.46 42.41 1iyb s ILE 199 CO 0.04 -0.27 0.79 -0.70 0.24 0.00 0.00 174.94 175.03 1iyb s GLU 200 N -1.82 4.28 -0.61 0.37 2.12 -0.79 -0.67 118.70 121.58 1iyb s GLU 200 Ca -0.02 0.95 0.01 0.00 0.36 0.00 0.00 54.97 56.27 1iyb s GLU 200 Cb -0.09 -2.74 0.15 0.00 0.26 0.00 0.00 34.13 31.71 1iyb s GLU 200 CO 0.02 0.30 0.40 0.12 -0.54 0.00 0.00 175.26 175.56 1iyb s PHE 201 N -1.66 3.37 0.76 5.30 5.36 -0.79 -0.97 117.98 129.34 1iyb s PHE 201 Ca 0.48 -2.99 -0.14 0.00 -0.96 0.00 0.00 56.93 53.32 1iyb s PHE 201 Cb -0.15 -3.00 0.05 0.00 -0.34 0.00 0.00 43.02 39.58 1iyb s PHE 201 CO 0.20 -0.76 1.18 -1.25 -1.46 0.00 0.00 175.22 173.13 1iyb s PRO 202 N -0.41 2.01 0.80 10.12 0.04 -1.26 -1.04 135.00 145.26 1iyb s PRO 202 Ca 0.19 1.66 -0.12 0.00 0.04 0.00 0.00 61.00 62.77 1iyb s PRO 202 Cb -0.20 -1.83 0.07 0.00 0.04 0.00 0.00 34.50 32.58 1iyb s PRO 202 CO -0.04 -1.91 1.11 0.95 0.04 0.00 0.00 177.00 177.15 1iyb s THR 203 N -2.17 2.93 0.00 1.26 -4.23 -1.25 -4.56 115.64 107.63 1iyb s THR 203 Ca 0.72 0.30 0.00 0.00 -1.18 0.00 0.00 61.69 61.53 1iyb s THR 203 Cb -0.27 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.49 1iyb s THR 203 CO 0.48 -0.40 0.00 0.33 -0.54 0.00 0.00 174.62 174.49