#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yyh s LYS 6 N 0.00 3.54 0.41 5.55 1.02 -1.26 -5.10 119.74 123.90 2yyh s LYS 6 Ca 0.00 -0.56 0.04 0.00 0.02 0.00 0.00 55.97 55.47 2yyh s LYS 6 Cb 0.00 -3.04 -0.02 0.00 -0.52 0.00 0.00 37.83 34.25 2yyh s LYS 6 CO 0.00 -0.04 0.15 0.95 -0.92 0.00 0.00 175.35 175.49 2yyh s THR 7 N 1.11 0.50 0.96 2.17 -4.23 -1.26 -5.14 115.64 109.76 2yyh s THR 7 Ca 0.02 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.42 2yyh s THR 7 Cb -0.14 -2.32 0.17 0.00 1.34 0.00 0.00 72.50 71.55 2yyh s THR 7 CO 0.01 0.00 1.09 -2.84 -0.54 0.00 0.00 174.62 172.34 2yyh s PRO 8 N -3.66 0.70 0.43 3.99 0.02 -1.26 -4.98 135.00 130.23 2yyh s PRO 8 Ca 0.24 1.02 -0.17 0.00 0.02 0.00 0.00 61.00 62.11 2yyh s PRO 8 Cb 0.02 -1.73 -0.09 0.00 0.02 0.00 0.00 34.50 32.72 2yyh s PRO 8 CO 0.16 -2.68 0.90 -0.51 -0.33 0.00 0.00 177.00 174.53 2yyh s LEU 9 N -6.55 3.86 -0.17 -5.54 1.43 -0.40 -4.88 118.68 106.43 2yyh s LEU 9 Ca 0.65 1.51 -0.05 0.00 -1.03 0.00 0.00 54.13 55.21 2yyh s LEU 9 Cb -0.21 -4.38 -0.03 0.00 0.03 0.00 0.00 46.19 41.60 2yyh s LEU 9 CO 0.59 -0.40 -0.01 -0.22 0.23 0.00 0.00 176.35 176.54 2yyh s LEU 10 N -3.48 3.42 0.22 1.79 2.96 -1.26 -0.86 118.68 121.47 2yyh s LEU 10 Ca 0.58 -0.07 -0.00 0.00 -0.22 0.00 0.00 54.13 54.42 2yyh s LEU 10 Cb -0.10 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 2yyh s LEU 10 CO 0.21 0.17 0.12 0.00 -1.32 0.00 0.00 176.35 175.53 2yyh s ALA 11 N 0.39 1.38 -0.07 5.97 0.00 -0.22 -1.04 121.76 128.17 2yyh s ALA 11 Ca -0.02 -1.76 -0.09 0.00 0.00 0.00 0.00 51.96 50.09 2yyh s ALA 11 Cb -0.14 1.27 0.02 0.00 0.00 0.00 0.00 23.12 24.27 2yyh s ALA 11 CO 0.02 -0.54 0.23 -0.08 0.00 0.00 0.00 175.76 175.38 2yyh s THR 12 N -4.00 0.02 0.16 0.00 -1.32 -0.17 -1.00 115.64 109.33 2yyh s THR 12 Ca 0.39 -0.13 0.06 0.00 -1.21 0.00 0.00 61.69 60.79 2yyh s THR 12 Cb 0.07 -0.37 -0.04 0.00 -1.51 0.00 0.00 72.50 70.65 2yyh s THR 12 CO 0.13 -0.07 -0.12 -1.81 -2.21 0.00 0.00 174.62 170.54 2yyh s ASP 13 N -0.20 2.03 -0.02 8.08 1.01 -0.53 -1.49 116.67 125.56 2yyh s ASP 13 Ca -0.03 -0.99 0.02 0.00 0.71 0.00 0.00 52.55 52.25 2yyh s ASP 13 Cb -0.03 -0.05 0.00 0.00 1.01 0.00 0.00 42.92 43.85 2yyh s ASP 13 CO 0.01 -0.27 -0.07 -0.69 0.21 0.00 0.00 175.17 174.36 2yyh s VAL 14 N -3.11 0.58 -0.51 -1.27 1.01 -0.75 -1.38 120.40 114.97 2yyh s VAL 14 Ca 0.18 -0.26 -0.18 0.00 0.00 0.00 0.00 61.98 61.71 2yyh s VAL 14 Cb 0.01 -0.52 0.07 0.00 0.00 0.00 0.00 36.38 35.94 2yyh s VAL 14 CO 0.03 0.18 0.59 -0.63 0.00 0.00 0.00 175.10 175.27 2yyh s ILE 15 N 0.13 4.93 -0.39 2.22 1.01 0.72 -4.08 121.20 125.74 2yyh s ILE 15 Ca -0.01 -0.66 -0.19 0.00 0.00 0.00 0.00 60.65 59.79 2yyh s ILE 15 Cb -0.06 -4.29 0.01 0.00 0.01 0.00 0.00 42.46 38.13 2yyh s ILE 15 CO -0.00 -0.80 0.55 -0.63 0.00 0.00 0.00 174.94 174.05 2yyh s ILE 16 N 2.46 4.96 -0.30 2.92 1.01 -1.26 -0.83 121.20 130.15 2yyh s ILE 16 Ca 0.13 0.14 -0.27 0.00 0.00 0.00 0.00 60.65 60.65 2yyh s ILE 16 Cb -0.21 -4.07 0.01 0.00 0.01 0.00 0.00 42.46 38.21 2yyh s ILE 16 CO 0.10 -0.39 0.96 -0.13 0.00 0.00 0.00 174.94 175.48 2yyh s ARG 17 N 2.51 4.05 -0.08 2.79 0.52 -0.04 -2.73 118.95 125.96 2yyh s ARG 17 Ca 0.19 0.92 -0.13 0.00 -0.52 0.00 0.00 55.73 56.19 2yyh s ARG 17 Cb -0.15 -3.72 -0.05 0.00 0.52 0.00 0.00 34.95 31.55 2yyh s ARG 17 CO 0.15 -0.79 0.33 -1.17 0.02 0.00 0.00 175.30 173.85 2yyh s LEU 18 N 3.34 4.38 0.11 2.53 2.96 -0.23 -1.65 118.68 130.11 2yyh s LEU 18 Ca 0.40 0.73 0.08 0.00 -0.22 0.00 0.00 54.13 55.12 2yyh s LEU 18 Cb -0.13 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.09 2yyh s LEU 18 CO 0.13 0.25 -0.21 0.26 -1.32 0.00 0.00 176.35 175.46 2yyh s TRP 19 N -0.48 1.82 -0.62 5.38 0.52 0.13 -0.32 118.94 125.37 2yyh s TRP 19 Ca 0.20 -0.42 0.05 0.00 0.02 0.00 0.00 56.10 55.94 2yyh s TRP 19 Cb -0.15 -0.98 0.17 0.00 -1.15 0.00 0.00 33.47 31.36 2yyh s TRP 19 CO 0.09 0.23 0.45 0.34 0.02 0.00 0.00 176.95 178.08 2yyh s ASP 20 N -2.04 3.90 1.11 2.95 2.15 -0.17 -3.92 116.67 120.65 2yyh s ASP 20 Ca 0.08 -3.63 0.00 0.00 0.43 0.00 0.00 52.55 49.43 2yyh s ASP 20 Cb -0.09 -1.31 0.00 0.00 -0.30 0.00 0.00 42.92 41.22 2yyh s ASP 20 CO 0.05 -0.11 0.00 0.61 -0.17 0.00 0.00 175.17 175.55 2yyh n GLY 21 N 2.22 1.26 0.20 2.66 0.00 -1.26 -2.48 105.19 107.80 2yyh n GLY 21 Ca 0.22 -0.56 0.13 0.00 0.00 0.00 0.00 46.02 45.82 2yyh n GLY 21 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yyh n GLU 22 N 12.21 0.74 -3.17 1.61 1.02 -1.26 -4.84 120.64 126.95 2yyh n GLU 22 Ca 0.00 -0.40 -0.40 0.00 -0.02 0.00 0.00 57.16 56.34 2yyh n GLU 22 Cb 0.00 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 29.86 2yyh n GLU 22 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2yyh s ASN 23 N -2.53 6.57 0.08 1.62 0.02 -1.03 -5.04 114.94 114.62 2yyh s ASN 23 Ca 0.24 0.69 -0.30 0.00 -1.02 0.00 0.00 52.86 52.47 2yyh s ASN 23 Cb 0.19 -2.32 -0.06 0.00 0.02 0.00 0.00 41.25 39.09 2yyh s ASN 23 CO 0.52 -0.28 1.17 0.12 0.02 0.00 0.00 177.10 178.65 2yyh s PHE 24 N 2.12 3.47 -0.08 2.20 5.36 -1.26 -1.00 117.98 128.79 2yyh s PHE 24 Ca 0.25 1.38 0.19 0.00 -0.96 0.00 0.00 56.93 57.79 2yyh s PHE 24 Cb -0.16 -3.38 -0.29 0.00 -0.34 0.00 0.00 43.02 38.85 2yyh s PHE 24 CO 0.09 -1.09 0.33 1.63 -1.46 0.00 0.00 175.22 174.72 2yyh n LYS 25 N 3.62 0.71 0.00 10.12 4.76 0.57 -4.92 118.16 133.01 2yyh n LYS 25 Ca 0.08 -0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 2yyh n LYS 25 Cb 0.47 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 2yyh n LYS 25 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2yyh n GLY 26 N 1.49 0.65 3.70 0.72 0.00 -1.23 -4.34 105.19 106.17 2yyh n GLY 26 Ca -0.12 -1.98 -0.30 0.00 0.00 0.00 0.00 46.02 43.61 2yyh n GLY 26 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2yyh s ILE 27 N -1.66 4.10 -0.31 -0.61 2.07 0.05 -1.07 121.20 123.77 2yyh s ILE 27 Ca 0.00 -0.92 -0.12 0.00 -1.41 0.00 0.00 60.65 58.20 2yyh s ILE 27 Cb 0.00 -2.94 -0.03 0.00 0.13 0.00 0.00 42.46 39.62 2yyh s ILE 27 CO 0.00 0.15 0.23 -0.69 -1.91 0.00 0.00 174.94 172.72 2yyh s VAL 28 N -1.29 5.28 0.38 4.00 1.01 -1.10 -0.74 120.40 127.94 2yyh s VAL 28 Ca 0.25 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.32 2yyh s VAL 28 Cb -0.12 -3.64 -0.07 0.00 0.00 0.00 0.00 36.38 32.55 2yyh s VAL 28 CO 0.18 0.10 -0.00 -0.76 0.00 0.00 0.00 175.10 174.62 2yyh s LEU 29 N 1.77 2.87 -0.09 3.92 1.43 0.14 -4.39 118.68 124.33 2yyh s LEU 29 Ca 0.07 -1.24 0.04 0.00 -1.03 0.00 0.00 54.13 51.97 2yyh s LEU 29 Cb -0.17 -1.04 -0.00 0.00 0.03 0.00 0.00 46.19 45.00 2yyh s LEU 29 CO 0.11 -0.36 -0.22 -0.63 0.23 0.00 0.00 176.35 175.47 2yyh s ILE 30 N -2.64 2.23 -0.52 -0.59 -1.09 0.66 -0.36 121.20 118.88 2yyh s ILE 30 Ca 0.35 -0.97 -0.20 0.00 -2.23 0.00 0.00 60.65 57.60 2yyh s ILE 30 Cb 0.06 -1.85 0.06 0.00 -1.58 0.00 0.00 42.46 39.14 2yyh s ILE 30 CO 0.18 0.56 0.68 -0.70 -1.23 0.00 0.00 174.94 174.43 2yyh s GLU 31 N 0.21 3.16 -0.03 2.79 2.56 0.10 -0.96 118.70 126.54 2yyh s GLU 31 Ca -0.14 -0.79 -0.28 0.00 0.00 0.00 0.00 54.97 53.76 2yyh s GLU 31 Cb -0.17 -4.09 -0.03 0.00 2.00 0.00 0.00 34.13 31.84 2yyh s GLU 31 CO 0.07 -1.27 0.90 1.03 -0.56 0.00 0.00 175.26 175.43 2yyh s ARG 32 N 2.85 4.51 0.03 4.30 0.52 0.29 -2.21 118.95 129.24 2yyh s ARG 32 Ca 0.18 1.26 0.22 0.00 -0.52 0.00 0.00 55.73 56.87 2yyh s ARG 32 Cb -0.18 -3.46 -0.14 0.00 0.52 0.00 0.00 34.95 31.69 2yyh s ARG 32 CO 0.13 -0.04 0.82 1.17 0.02 0.00 0.00 175.30 177.40 2yyh n LYS 33 N 3.95 0.38 -3.99 3.54 4.81 0.17 -2.33 118.16 124.69 2yyh n LYS 33 Ca 0.04 -0.06 -0.31 0.00 -0.87 0.00 0.00 58.31 57.11 2yyh n LYS 33 Cb 0.51 -1.57 -0.05 0.00 0.02 0.00 0.00 35.03 33.94 2yyh n LYS 33 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2yyh s TYR 34 N -3.28 3.37 0.21 5.64 2.02 -1.26 -4.83 117.35 119.22 2yyh s TYR 34 Ca 0.00 0.20 -0.32 0.00 -0.37 0.00 0.00 57.07 56.58 2yyh s TYR 34 Cb 0.14 -1.72 -0.13 0.00 -0.40 0.00 0.00 41.96 39.86 2yyh s TYR 34 CO 0.85 0.57 1.60 -0.35 -1.57 0.00 0.00 175.55 176.65 2yyh n PRO 35 N 0.57 2.42 -2.41 -1.71 -0.04 -1.26 -3.03 135.00 129.53 2yyh n PRO 35 Ca -0.08 0.87 -0.42 0.00 -0.04 0.00 0.00 63.50 63.82 2yyh n PRO 35 Cb 0.52 -2.65 -0.03 0.00 -0.04 0.00 0.00 33.50 31.30 2yyh n PRO 35 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2yyh s PRO 36 N 0.54 4.36 -0.01 0.54 0.04 -1.26 -5.08 135.00 134.13 2yyh s PRO 36 Ca 0.73 1.74 -0.30 0.00 0.04 0.00 0.00 61.00 63.21 2yyh s PRO 36 Cb -0.59 -3.52 -0.04 0.00 0.04 0.00 0.00 34.50 30.39 2yyh s PRO 36 CO 0.40 -0.43 1.13 0.08 0.04 0.00 0.00 177.00 178.21 2yyh s VAL 37 N 2.03 4.38 -5.00 -0.36 1.01 -1.17 -4.83 120.40 116.47 2yyh s VAL 37 Ca 0.58 1.70 0.00 0.00 0.00 0.00 0.00 61.98 64.26 2yyh s VAL 37 Cb -0.27 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.02 2yyh s VAL 37 CO 0.24 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.03 2yyh n GLY 38 N 3.18 0.17 3.76 4.51 0.00 -0.98 -4.90 105.19 110.92 2yyh n GLY 38 Ca 0.09 -1.68 -0.39 0.00 0.00 0.00 0.00 46.02 44.04 2yyh n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yyh s LEU 39 N 0.00 4.54 0.10 0.99 1.43 -0.59 -0.55 118.68 124.60 2yyh s LEU 39 Ca 0.00 1.90 -0.13 0.00 -1.03 0.00 0.00 54.13 54.87 2yyh s LEU 39 Cb 0.00 -3.75 0.02 0.00 0.03 0.00 0.00 46.19 42.49 2yyh s LEU 39 CO 0.00 0.08 0.32 0.00 0.23 0.00 0.00 176.35 176.98 2yyh s ALA 40 N -1.33 -0.67 0.64 4.21 0.00 -0.13 -0.60 121.76 123.88 2yyh s ALA 40 Ca 0.44 -0.22 -0.14 0.00 0.00 0.00 0.00 51.96 52.04 2yyh s ALA 40 Cb -0.23 0.57 -0.01 0.00 0.00 0.00 0.00 23.12 23.45 2yyh s ALA 40 CO 0.29 -0.57 1.07 -0.51 0.00 0.00 0.00 175.76 176.04 2yyh s LEU 41 N -2.71 3.35 0.39 0.00 1.43 -1.26 -0.25 118.68 119.62 2yyh s LEU 41 Ca 0.02 1.79 -0.24 0.00 -1.03 0.00 0.00 54.13 54.68 2yyh s LEU 41 Cb 0.03 -4.52 -0.10 0.00 0.03 0.00 0.00 46.19 41.62 2yyh s LEU 41 CO -0.10 -1.38 0.99 -2.16 0.23 0.00 0.00 176.35 173.92 2yyh s PRO 42 N -4.40 4.29 0.00 1.29 0.04 -1.26 -4.73 135.00 130.23 2yyh s PRO 42 Ca 0.62 1.34 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2yyh s PRO 42 Cb -0.16 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.88 2yyh s PRO 42 CO 0.44 0.00 0.00 0.41 0.04 0.00 0.00 177.00 177.89 2yyh n GLY 43 N 0.11 -1.70 0.00 0.56 0.00 -1.26 -1.81 105.19 101.09 2yyh n GLY 43 Ca 0.05 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.91 2yyh n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yyh n GLY 44 N -0.23 -1.36 3.78 -0.02 0.00 -0.56 -4.98 105.19 101.82 2yyh n GLY 44 Ca 0.00 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.65 2yyh n GLY 44 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2yyh s PHE 45 N -2.33 3.03 0.00 1.61 0.08 -1.26 -1.00 117.98 118.12 2yyh s PHE 45 Ca 0.00 1.58 -0.22 0.00 0.12 0.00 0.00 56.93 58.41 2yyh s PHE 45 Cb 0.00 -3.23 -0.05 0.00 -0.57 0.00 0.00 43.02 39.17 2yyh s PHE 45 CO 0.00 -1.07 0.66 0.08 -0.10 0.00 0.00 175.22 174.79 2yyh s VAL 46 N -1.67 4.87 0.23 -0.44 1.01 -0.21 -4.86 120.40 119.33 2yyh s VAL 46 Ca 0.62 1.38 -0.08 0.00 0.00 0.00 0.00 61.98 63.91 2yyh s VAL 46 Cb -0.24 -4.00 -0.07 0.00 0.00 0.00 0.00 36.38 32.08 2yyh s VAL 46 CO 0.29 0.38 0.53 -1.61 0.00 0.00 0.00 175.10 174.70 2yyh s GLU 47 N -0.04 3.75 0.15 2.72 2.02 -1.26 -4.85 118.70 121.20 2yyh s GLU 47 Ca 0.34 0.19 -0.32 0.00 0.02 0.00 0.00 54.97 55.21 2yyh s GLU 47 Cb -0.19 -2.67 -0.11 0.00 0.10 0.00 0.00 34.13 31.26 2yyh s GLU 47 CO 0.19 0.32 1.80 0.28 0.02 0.00 0.00 175.26 177.86 2yyh n VAL 48 N -0.24 0.25 0.00 2.63 0.31 -1.26 -2.18 118.33 117.84 2yyh n VAL 48 Ca -0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 2yyh n VAL 48 Cb 0.53 -2.06 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 2yyh n VAL 48 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2yyh n GLY 49 N 4.13 2.41 3.54 2.92 0.00 -1.26 -5.09 105.19 111.84 2yyh n GLY 49 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2yyh n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2yyh s GLU 50 N -0.50 1.97 0.66 1.61 -1.05 -0.93 -5.12 118.70 115.34 2yyh s GLU 50 Ca 0.00 -1.10 -0.14 0.00 -0.15 0.00 0.00 54.97 53.59 2yyh s GLU 50 Cb 0.00 -2.22 -0.00 0.00 -0.44 0.00 0.00 34.13 31.47 2yyh s GLU 50 CO 0.00 0.49 1.08 1.03 0.95 0.00 0.00 175.26 178.81 2yyh s ARG 51 N -2.19 2.93 0.27 -4.83 0.52 -1.26 -4.76 118.95 109.64 2yyh s ARG 51 Ca 0.20 1.21 -0.04 0.00 -0.52 0.00 0.00 55.73 56.58 2yyh s ARG 51 Cb -0.11 -1.98 0.36 0.00 0.52 0.00 0.00 34.95 33.74 2yyh s ARG 51 CO 0.12 -1.12 1.93 0.28 0.02 0.00 0.00 175.30 176.53 2yyh h VAL 52 N -0.13 1.20 0.00 3.52 2.07 -1.99 -0.91 116.25 120.01 2yyh h VAL 52 Ca -0.46 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 66.59 2yyh h VAL 52 Cb 1.23 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2yyh h VAL 52 CO 0.55 0.23 -0.22 -0.33 0.02 0.00 0.00 177.57 177.82 2yyh h GLU 53 N 1.24 0.00 -0.04 1.57 3.07 -1.99 -0.79 114.58 117.63 2yyh h GLU 53 Ca 0.36 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.98 2yyh h GLU 53 Cb -0.07 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 27.85 2yyh h GLU 53 CO -0.10 0.22 -0.93 0.93 -1.40 0.00 0.00 179.01 177.73 2yyh h GLU 54 N 0.00 0.62 -0.56 2.33 5.08 -1.57 -2.19 114.58 118.29 2yyh h GLU 54 Ca -0.00 -0.61 -0.04 0.00 -1.00 0.00 0.00 59.36 57.70 2yyh h GLU 54 Cb 0.41 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 2yyh h GLU 54 CO 0.03 1.22 0.18 0.00 -1.00 0.00 0.00 179.01 179.44 2yyh h ALA 55 N 0.58 0.73 -0.00 3.43 0.00 -0.67 -1.34 119.26 121.99 2yyh h ALA 55 Ca -0.09 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2yyh h ALA 55 Cb 1.56 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 2yyh h ALA 55 CO 0.18 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.82 2yyh h ALA 56 N 1.05 0.00 -0.62 0.00 0.00 -1.14 -0.61 119.26 117.94 2yyh h ALA 56 Ca 0.18 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.18 2yyh h ALA 56 Cb 0.27 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 2yyh h ALA 56 CO -0.01 -0.50 0.25 0.00 0.00 0.00 0.00 179.25 179.00 2yyh h ALA 57 N 1.00 0.81 -0.14 0.00 0.00 -1.19 -2.31 119.26 117.44 2yyh h ALA 57 Ca 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2yyh h ALA 57 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2yyh h ALA 57 CO -0.00 -0.16 0.08 -0.09 0.00 0.00 0.00 179.25 179.07 2yyh h ARG 58 N 0.45 0.19 -1.49 0.00 2.43 -0.84 -0.89 114.38 114.22 2yyh h ARG 58 Ca 0.31 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 2yyh h ARG 58 Cb 0.37 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2yyh h ARG 58 CO -0.29 0.20 0.00 0.39 -1.51 0.00 0.00 179.97 178.76 2yyh n GLU 59 N -4.94 0.15 0.00 0.20 -0.58 -0.27 -1.14 120.64 114.06 2yyh n GLU 59 Ca -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 2yyh n GLU 59 Cb 0.07 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 2yyh n GLU 59 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2yyh n ARG 61 N 0.82 0.00 -0.07 3.49 0.63 -0.34 -0.01 116.66 121.18 2yyh n ARG 61 Ca 0.00 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.82 2yyh n ARG 61 Cb 0.07 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 32.94 2yyh n ARG 61 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2yyh h GLU 62 N 0.00 0.36 0.02 -0.14 3.07 -1.39 -0.80 114.58 115.70 2yyh h GLU 62 Ca 0.00 -0.08 -0.27 0.00 -0.50 0.00 0.00 59.36 58.52 2yyh h GLU 62 Cb 0.00 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 27.82 2yyh h GLU 62 CO 0.00 0.45 -1.44 0.93 -1.40 0.00 0.00 179.01 177.55 2yyh h GLU 63 N 0.19 0.04 0.00 2.33 5.08 -0.68 -3.41 114.58 118.14 2yyh h GLU 63 Ca 0.07 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2yyh h GLU 63 Cb 0.25 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2yyh h GLU 63 CO -0.00 0.76 -0.72 0.25 -1.00 0.00 0.00 179.01 178.30 2yyh n THR 64 N -3.21 0.00 -0.94 1.13 -2.24 -1.25 -4.71 114.28 103.05 2yyh n THR 64 Ca -0.11 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2yyh n THR 64 Cb 1.01 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 2yyh n THR 64 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yyh n GLY 65 N 1.87 0.44 3.91 3.38 0.00 -0.30 -0.57 105.19 113.92 2yyh n GLY 65 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2yyh n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yyh s LEU 66 N 0.00 4.21 -0.52 0.99 1.43 -1.26 -4.73 118.68 118.81 2yyh s LEU 66 Ca 0.00 0.55 -0.17 0.00 -1.03 0.00 0.00 54.13 53.48 2yyh s LEU 66 Cb 0.00 -3.31 0.09 0.00 0.03 0.00 0.00 46.19 43.00 2yyh s LEU 66 CO 0.00 -0.03 0.51 -0.70 0.23 0.00 0.00 176.35 176.36 2yyh s GLU 67 N -3.07 3.02 -0.25 1.70 2.56 -1.26 -3.87 118.70 117.53 2yyh s GLU 67 Ca 0.41 -1.37 -0.11 0.00 0.00 0.00 0.00 54.97 53.90 2yyh s GLU 67 Cb -0.11 -4.20 -0.05 0.00 2.00 0.00 0.00 34.13 31.77 2yyh s GLU 67 CO 0.27 -1.23 0.17 0.08 -0.56 0.00 0.00 175.26 174.00 2yyh s VAL 68 N 1.95 5.34 -0.36 3.70 1.01 -1.26 -4.52 120.40 126.26 2yyh s VAL 68 Ca 0.07 0.18 -0.20 0.00 0.00 0.00 0.00 61.98 62.03 2yyh s VAL 68 Cb -0.25 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.62 2yyh s VAL 68 CO 0.06 0.31 0.61 -0.60 0.00 0.00 0.00 175.10 175.48 2yyh s ARG 69 N 1.29 3.64 0.21 2.72 3.52 -0.38 -4.89 118.95 125.07 2yyh s ARG 69 Ca 0.07 -0.03 -0.30 0.00 -0.13 0.00 0.00 55.73 55.35 2yyh s ARG 69 Cb -0.14 -3.82 -0.09 0.00 -1.56 0.00 0.00 34.95 29.34 2yyh s ARG 69 CO 0.07 -0.73 1.37 -0.51 -0.81 0.00 0.00 175.30 174.69 2yyh s LEU 70 N 2.64 4.40 -0.12 -0.88 1.43 -1.26 -1.29 118.68 123.59 2yyh s LEU 70 Ca 0.23 2.51 0.02 0.00 -1.03 0.00 0.00 54.13 55.86 2yyh s LEU 70 Cb -0.15 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.37 2yyh s LEU 70 CO 0.15 -0.61 -0.09 1.57 0.23 0.00 0.00 176.35 177.60 2yyh n HIS 71 N 2.60 0.00 -3.69 0.29 -0.00 0.23 -4.93 115.22 109.72 2yyh n HIS 71 Ca 0.07 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.66 2yyh n HIS 71 Cb 0.42 -0.49 -0.09 0.00 -0.00 0.00 0.00 29.99 29.82 2yyh n HIS 71 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 2yyh s LYS 72 N -2.25 0.58 0.80 1.57 2.47 -0.73 -5.00 119.74 117.18 2yyh s LYS 72 Ca -0.15 0.76 -0.11 0.00 -1.56 0.00 0.00 55.97 54.91 2yyh s LYS 72 Cb 0.04 0.24 0.07 0.00 -1.46 0.00 0.00 37.83 36.72 2yyh s LYS 72 CO 0.32 -0.09 1.09 -1.17 0.16 0.00 0.00 175.35 175.66 2yyh s LEU 73 N 0.53 2.61 0.38 5.43 2.96 -1.26 -1.13 118.68 128.21 2yyh s LEU 73 Ca -0.02 1.34 0.08 0.00 -0.22 0.00 0.00 54.13 55.31 2yyh s LEU 73 Cb -0.04 -3.96 -0.02 0.00 0.50 0.00 0.00 46.19 42.67 2yyh s LEU 73 CO -0.03 -1.98 0.39 -0.83 -1.32 0.00 0.00 176.35 172.59 2yyh s GLY 75 N -3.86 1.94 -0.17 7.98 0.00 -1.05 -4.94 107.32 107.22 2yyh s GLY 75 Ca 0.61 -1.74 0.01 0.00 0.00 0.00 0.00 44.72 43.60 2yyh s GLY 75 CO 0.54 -1.59 -0.17 0.14 0.00 0.00 0.00 173.10 172.02 2yyh s VAL 76 N -2.37 1.84 -0.24 1.40 1.01 -1.26 -0.56 120.40 120.23 2yyh s VAL 76 Ca 0.47 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 2yyh s VAL 76 Cb -0.06 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 2yyh s VAL 76 CO 0.29 0.47 0.06 -0.31 0.00 0.00 0.00 175.10 175.61 2yyh s TYR 77 N 1.37 3.09 -0.03 5.22 2.02 -0.47 -4.97 117.35 123.58 2yyh s TYR 77 Ca 0.04 -0.39 0.05 0.00 -0.37 0.00 0.00 57.07 56.40 2yyh s TYR 77 Cb -0.13 -2.21 0.08 0.00 -0.40 0.00 0.00 41.96 39.30 2yyh s TYR 77 CO -0.12 -0.30 0.92 -1.13 -1.57 0.00 0.00 175.55 173.35 2yyh n SER 78 N 4.72 1.22 -4.68 2.29 3.41 -1.26 -1.43 113.62 117.89 2yyh n SER 78 Ca -0.16 -2.05 -0.50 0.00 -0.26 0.00 0.00 58.87 55.89 2yyh n SER 78 Cb 0.52 -0.15 -0.05 0.00 -0.26 0.00 0.00 64.21 64.26 2yyh n SER 78 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2yyh n ASP 79 N -0.53 3.03 -0.36 4.04 -0.08 -1.26 -4.80 116.55 116.59 2yyh n ASP 79 Ca 0.04 1.02 0.31 0.00 -1.51 0.00 0.00 54.79 54.66 2yyh n ASP 79 Cb 0.50 -1.31 0.64 0.00 2.34 0.00 0.00 41.12 43.29 2yyh n ASP 79 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2yyh h PRO 80 N 7.95 0.17 -0.57 -0.67 0.11 -1.97 -0.75 132.00 136.28 2yyh h PRO 80 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2yyh h PRO 80 Cb 1.28 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2yyh h PRO 80 CO 0.93 0.11 0.00 0.39 -0.21 0.00 0.00 178.00 179.22 2yyh n GLU 81 N -4.44 2.33 -0.03 1.05 -0.58 -1.26 -4.42 120.64 113.29 2yyh n GLU 81 Ca 0.28 -2.05 -0.04 0.00 -0.42 0.00 0.00 57.16 54.94 2yyh n GLU 81 Cb 1.16 -1.45 0.19 0.00 -0.57 0.00 0.00 31.44 30.78 2yyh n GLU 81 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 2yyh h ARG 82 N 3.32 0.60 -5.17 3.49 0.11 -1.47 -3.41 114.38 111.84 2yyh h ARG 82 Ca 0.00 -0.20 -0.67 0.00 0.10 0.00 0.00 59.98 59.21 2yyh h ARG 82 Cb 0.77 -0.05 -0.32 0.00 1.11 0.00 0.00 29.97 31.48 2yyh h ARG 82 CO 0.00 0.73 -0.82 0.34 0.10 0.00 0.00 179.97 180.32 2yyh s ASP 83 N -6.75 3.48 0.54 0.08 -1.08 -1.26 -3.80 116.67 107.87 2yyh s ASP 83 Ca -0.08 -0.52 0.33 0.00 -0.52 0.00 0.00 52.55 51.76 2yyh s ASP 83 Cb 0.14 -1.53 1.31 0.00 -1.46 0.00 0.00 42.92 41.38 2yyh s ASP 83 CO 0.80 0.07 1.96 1.55 0.52 0.00 0.00 175.17 180.07 2yyh h PRO 84 N 7.41 0.00 0.00 4.34 0.13 -1.92 -3.21 132.00 138.74 2yyh h PRO 84 Ca -0.34 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.72 2yyh h PRO 84 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2yyh h PRO 84 CO 0.57 0.01 -0.33 0.00 -0.23 0.00 0.00 178.00 178.02 2yyh h ARG 85 N 0.00 0.00 0.00 0.86 3.08 -1.98 -3.48 114.38 112.86 2yyh h ARG 85 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2yyh h ARG 85 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2yyh h ARG 85 CO 0.00 0.33 0.00 0.00 -1.07 0.00 0.00 179.97 179.23 2yyh n ALA 86 N -2.24 0.00 -2.60 0.04 0.00 -1.21 -5.07 120.51 109.43 2yyh n ALA 86 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.02 2yyh n ALA 86 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 2yyh n ALA 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2yyh s HIS 87 N -2.23 2.71 -0.11 0.00 5.65 -1.26 -4.41 115.29 115.64 2yyh s HIS 87 Ca 0.00 0.35 0.03 0.00 0.25 0.00 0.00 55.06 55.69 2yyh s HIS 87 Cb 0.00 -4.35 -0.01 0.00 -1.18 0.00 0.00 32.58 27.05 2yyh s HIS 87 CO 0.00 -1.44 -0.20 0.08 -0.65 0.00 0.00 174.74 172.53 2yyh s VAL 88 N 4.53 2.42 -0.17 0.89 1.01 -1.26 -1.27 120.40 126.55 2yyh s VAL 88 Ca 0.40 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 2yyh s VAL 88 Cb -0.09 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 2yyh s VAL 88 CO 0.25 0.55 0.02 -0.69 0.00 0.00 0.00 175.10 175.22 2yyh s VAL 89 N 0.33 4.37 -0.11 2.92 1.01 -0.04 -4.72 120.40 124.16 2yyh s VAL 89 Ca -0.16 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.64 2yyh s VAL 89 Cb -0.17 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 2yyh s VAL 89 CO 0.08 0.47 -0.12 -0.55 0.00 0.00 0.00 175.10 174.98 2yyh s SER 90 N 0.40 4.15 -0.30 3.32 0.15 -0.51 -1.06 113.70 119.85 2yyh s SER 90 Ca -0.00 -0.25 -0.16 0.00 0.70 0.00 0.00 55.95 56.23 2yyh s SER 90 Cb -0.13 -1.44 -0.02 0.00 -1.71 0.00 0.00 66.02 62.72 2yyh s SER 90 CO 0.02 0.22 0.43 -0.69 1.20 0.00 0.00 173.24 174.42 2yyh s VAL 91 N 0.04 5.12 -0.19 4.45 1.01 -0.17 -1.37 120.40 129.29 2yyh s VAL 91 Ca -0.04 0.50 -0.08 0.00 0.00 0.00 0.00 61.98 62.36 2yyh s VAL 91 Cb -0.14 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 2yyh s VAL 91 CO 0.04 0.02 0.08 -0.69 0.00 0.00 0.00 175.10 174.55 2yyh s VAL 92 N 2.19 4.96 0.25 2.92 1.01 0.28 -1.45 120.40 130.56 2yyh s VAL 92 Ca 0.17 0.03 0.10 0.00 0.00 0.00 0.00 61.98 62.28 2yyh s VAL 92 Cb -0.16 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 2yyh s VAL 92 CO 0.11 0.45 -0.10 0.26 0.00 0.00 0.00 175.10 175.81 2yyh s TRP 93 N 0.43 2.51 -0.12 5.22 0.52 -0.48 -2.53 118.94 124.49 2yyh s TRP 93 Ca 0.05 -0.27 0.00 0.00 0.02 0.00 0.00 56.10 55.90 2yyh s TRP 93 Cb -0.12 -1.13 -0.01 0.00 -1.15 0.00 0.00 33.47 31.06 2yyh s TRP 93 CO -0.00 0.64 -0.14 0.42 0.02 0.00 0.00 176.95 177.88 2yyh s ILE 94 N -2.27 2.96 0.31 2.03 1.01 -0.28 -0.20 121.20 124.76 2yyh s ILE 94 Ca 0.29 -0.70 0.04 0.00 0.00 0.00 0.00 60.65 60.29 2yyh s ILE 94 Cb -0.06 -2.23 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 2yyh s ILE 94 CO 0.17 0.53 0.20 -0.83 0.00 0.00 0.00 174.94 175.00 2yyh s GLY 95 N 0.32 2.13 0.06 6.18 0.00 -0.01 -0.60 107.32 115.40 2yyh s GLY 95 Ca -0.11 -1.81 0.05 0.00 0.00 0.00 0.00 44.72 42.85 2yyh s GLY 95 CO 0.06 -1.55 -0.13 0.99 0.00 0.00 0.00 173.10 172.47 2yyh s ASP 96 N -3.37 1.54 -0.04 1.64 1.01 -0.41 -0.87 116.67 116.18 2yyh s ASP 96 Ca 0.37 -0.54 -0.10 0.00 0.71 0.00 0.00 52.55 52.98 2yyh s ASP 96 Cb 0.04 -0.06 0.02 0.00 1.01 0.00 0.00 42.92 43.93 2yyh s ASP 96 CO 0.20 -0.05 0.23 0.00 0.21 0.00 0.00 175.17 175.76 2yyh s ALA 97 N -1.11 -0.57 0.35 5.23 0.00 -0.66 -1.24 121.76 123.75 2yyh s ALA 97 Ca -0.02 0.32 0.08 0.00 0.00 0.00 0.00 51.96 52.35 2yyh s ALA 97 Cb -0.09 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 2yyh s ALA 97 CO 0.02 -0.19 0.11 -0.65 0.00 0.00 0.00 175.76 175.04 2yyh s GLN 98 N -0.79 2.27 0.12 0.00 -1.52 -1.26 -0.69 119.66 117.78 2yyh s GLN 98 Ca -0.09 -1.64 0.00 0.00 -1.95 0.00 0.00 55.36 51.68 2yyh s GLN 98 Cb -0.05 -2.08 0.00 0.00 -0.22 0.00 0.00 33.01 30.67 2yyh s GLN 98 CO 0.02 0.09 0.00 0.41 -0.25 0.00 0.00 175.29 175.56 2yyh n GLY 99 N -1.10 -2.79 3.46 3.09 0.00 -1.25 -4.74 105.19 101.86 2yyh n GLY 99 Ca -0.03 -1.96 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 2yyh n GLY 99 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yyh s GLU 100 N -0.47 3.60 0.45 1.61 2.12 -1.26 -4.88 118.70 119.87 2yyh s GLU 100 Ca 0.00 -0.56 -0.22 0.00 0.36 0.00 0.00 54.97 54.55 2yyh s GLU 100 Cb 0.00 -2.88 -0.08 0.00 0.26 0.00 0.00 34.13 31.43 2yyh s GLU 100 CO 0.00 0.20 1.06 -1.25 -0.54 0.00 0.00 175.26 174.73 2yyh s PRO 101 N 0.47 3.95 1.00 4.30 0.04 -1.26 -4.79 135.00 138.70 2yyh s PRO 101 Ca -0.05 1.48 -0.11 0.00 0.04 0.00 0.00 61.00 62.36 2yyh s PRO 101 Cb -0.15 -2.33 0.19 0.00 0.04 0.00 0.00 34.50 32.25 2yyh s PRO 101 CO 0.03 -0.33 1.09 -1.59 0.04 0.00 0.00 177.00 176.24 2yyh s LYS 102 N -2.84 0.42 0.37 4.56 -2.85 0.27 -4.90 119.74 114.76 2yyh s LYS 102 Ca 0.63 1.06 0.15 0.00 -1.00 0.00 0.00 55.97 56.81 2yyh s LYS 102 Cb -0.20 -1.69 0.72 0.00 -2.06 0.00 0.00 37.83 34.59 2yyh s LYS 102 CO 0.25 -2.88 1.79 0.00 0.10 0.00 0.00 175.35 174.61 2yyh h ALA 103 N -2.03 1.21 0.00 0.59 0.00 -1.92 -3.42 119.26 113.69 2yyh h ALA 103 Ca -0.52 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.04 2yyh h ALA 103 Cb 1.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2yyh h ALA 103 CO 0.49 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.64 2yyh n GLY 104 N -0.19 0.46 3.92 0.00 0.00 -1.26 -1.65 105.19 106.47 2yyh n GLY 104 Ca -0.01 -1.90 -0.27 0.00 0.00 0.00 0.00 46.02 43.83 2yyh n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yyh s SER 105 N -1.07 4.38 0.35 1.61 1.04 -0.80 -4.83 113.70 114.39 2yyh s SER 105 Ca 0.00 0.47 0.05 0.00 0.48 0.00 0.00 55.95 56.95 2yyh s SER 105 Cb 0.00 -0.94 0.66 0.00 0.10 0.00 0.00 66.02 65.83 2yyh s SER 105 CO 0.00 -1.92 1.92 -0.78 0.98 0.00 0.00 173.24 173.44 2yyh h ASP 106 N -0.93 0.50 1.40 7.02 3.58 -1.98 -2.31 116.42 123.70 2yyh h ASP 106 Ca -0.44 -0.07 -0.11 0.00 0.42 0.00 0.00 57.03 56.82 2yyh h ASP 106 Cb 1.30 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 42.21 2yyh h ASP 106 CO 0.57 0.52 -0.52 0.00 -2.88 0.00 0.00 179.24 176.92 2yyh h ALA 107 N 1.55 0.68 -2.60 -0.78 0.00 -1.93 -3.41 119.26 112.78 2yyh h ALA 107 Ca 0.12 -0.48 -0.59 0.00 0.00 0.00 0.00 54.91 53.96 2yyh h ALA 107 Cb 0.23 -0.08 -0.39 0.00 0.00 0.00 0.00 17.79 17.55 2yyh h ALA 107 CO -0.00 0.66 -0.86 0.15 0.00 0.00 0.00 179.25 179.19 2yyh s LYS 108 N -3.00 0.97 0.05 0.00 1.02 -0.88 -0.66 119.74 117.24 2yyh s LYS 108 Ca 0.03 -1.92 -0.29 0.00 0.02 0.00 0.00 55.97 53.81 2yyh s LYS 108 Cb 0.08 -1.68 -0.04 0.00 -0.52 0.00 0.00 37.83 35.66 2yyh s LYS 108 CO 0.74 -1.28 0.95 0.15 -0.92 0.00 0.00 175.35 174.99 2yyh s LYS 109 N 0.33 4.62 -0.00 1.68 1.02 -0.94 -1.90 119.74 124.55 2yyh s LYS 109 Ca 0.25 1.39 -0.28 0.00 0.02 0.00 0.00 55.97 57.35 2yyh s LYS 109 Cb -0.11 -3.41 -0.04 0.00 -0.52 0.00 0.00 37.83 33.75 2yyh s LYS 109 CO -0.09 0.10 0.89 0.08 -0.92 0.00 0.00 175.35 175.41 2yyh s VAL 110 N 0.46 4.87 -0.03 3.17 1.01 -0.66 0.03 120.40 129.26 2yyh s VAL 110 Ca 0.48 1.88 0.02 0.00 0.00 0.00 0.00 61.98 64.36 2yyh s VAL 110 Cb -0.22 -4.24 0.01 0.00 0.00 0.00 0.00 36.38 31.93 2yyh s VAL 110 CO 0.28 0.21 -0.07 -0.54 0.00 0.00 0.00 175.10 174.99 2yyh s LYS 111 N 0.79 0.86 -0.21 2.72 -0.14 0.51 -4.91 119.74 119.35 2yyh s LYS 111 Ca 0.47 -0.21 -0.08 0.00 -1.36 0.00 0.00 55.97 54.79 2yyh s LYS 111 Cb -0.20 -0.82 -0.04 0.00 -1.68 0.00 0.00 37.83 35.09 2yyh s LYS 111 CO 0.25 0.03 0.08 0.08 -0.76 0.00 0.00 175.35 175.04 2yyh s VAL 112 N 0.45 4.80 -0.05 3.17 1.01 -1.26 0.26 120.40 128.78 2yyh s VAL 112 Ca -0.06 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 61.95 2yyh s VAL 112 Cb -0.10 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 2yyh s VAL 112 CO 0.00 0.41 -0.22 -0.31 0.00 0.00 0.00 175.10 174.99 2yyh s TYR 113 N 0.76 2.14 0.53 5.22 2.02 0.08 -4.95 117.35 123.14 2yyh s TYR 113 Ca 0.04 -0.64 -0.21 0.00 -0.37 0.00 0.00 57.07 55.89 2yyh s TYR 113 Cb -0.13 -1.42 -0.06 0.00 -0.40 0.00 0.00 41.96 39.96 2yyh s TYR 113 CO 0.02 -0.20 1.21 1.03 -1.57 0.00 0.00 175.55 176.04 2yyh s ARG 114 N -0.06 3.35 0.49 -0.62 0.52 -1.26 -0.77 118.95 120.61 2yyh s ARG 114 Ca -0.04 1.87 0.15 0.00 -0.52 0.00 0.00 55.73 57.18 2yyh s ARG 114 Cb -0.13 -2.19 1.18 0.00 0.52 0.00 0.00 34.95 34.33 2yyh s ARG 114 CO 0.03 -0.91 2.11 -0.07 0.02 0.00 0.00 175.30 176.49 2yyh h LEU 115 N 1.49 0.11 -0.04 2.53 3.38 -1.93 -1.24 115.31 119.62 2yyh h LEU 115 Ca -0.50 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2yyh h LEU 115 Cb 1.27 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2yyh h LEU 115 CO 0.58 0.08 -0.03 -0.62 0.09 0.00 0.00 178.44 178.54 2yyh n GLU 116 N -4.51 0.41 -0.04 1.13 4.71 -1.26 -3.81 120.64 117.27 2yyh n GLU 116 Ca -0.00 -0.04 0.05 0.00 -0.01 0.00 0.00 57.16 57.17 2yyh n GLU 116 Cb 0.13 -1.50 0.08 0.00 -1.01 0.00 0.00 31.44 29.14 2yyh n GLU 116 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2yyh n GLU 117 N -1.26 2.04 -2.25 3.49 -0.58 -0.47 -5.03 120.64 116.57 2yyh n GLU 117 Ca 0.13 -2.08 -0.42 0.00 -0.42 0.00 0.00 57.16 54.38 2yyh n GLU 117 Cb 0.26 -1.26 -0.03 0.00 -0.57 0.00 0.00 31.44 29.83 2yyh n GLU 117 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2yyh s ILE 118 N -2.00 3.51 -1.07 -3.67 1.01 -1.19 -4.85 121.20 112.94 2yyh s ILE 118 Ca 0.17 1.10 -0.21 0.00 0.00 0.00 0.00 60.65 61.72 2yyh s ILE 118 Cb 0.15 -3.71 0.07 0.00 0.01 0.00 0.00 42.46 38.98 2yyh s ILE 118 CO 0.02 0.10 1.47 -2.16 0.00 0.00 0.00 174.94 174.36 2yyh s PRO 119 N 0.90 3.69 0.31 2.79 0.04 -1.26 -4.84 135.00 136.63 2yyh s PRO 119 Ca 0.62 -1.43 0.08 0.00 0.04 0.00 0.00 61.00 60.30 2yyh s PRO 119 Cb -0.35 -5.33 0.82 0.00 0.04 0.00 0.00 34.50 29.69 2yyh s PRO 119 CO 0.31 -2.15 1.74 -0.07 0.04 0.00 0.00 177.00 176.87 2yyh h LEU 120 N 12.33 0.66 -0.18 -3.56 3.38 -1.99 -0.04 115.31 125.91 2yyh h LEU 120 Ca 0.25 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.35 2yyh h LEU 120 Cb 0.98 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2yyh h LEU 120 CO 1.39 0.13 0.00 0.47 0.09 0.00 0.00 178.44 180.52 2yyh n ASP 121 N -4.88 0.26 0.00 -0.43 8.00 -1.26 -2.47 116.55 115.77 2yyh n ASP 121 Ca 0.25 -1.64 0.11 0.00 0.71 0.00 0.00 54.79 54.22 2yyh n ASP 121 Cb 0.69 -0.02 -0.10 0.00 -0.02 0.00 0.00 41.12 41.66 2yyh n ASP 121 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2yyh n LYS 122 N -0.53 0.27 -2.20 -1.24 4.76 -0.03 -4.95 118.16 114.24 2yyh n LYS 122 Ca 0.10 -0.06 -0.41 0.00 -2.87 0.00 0.00 58.31 55.07 2yyh n LYS 122 Cb 0.08 -1.53 -0.03 0.00 -1.84 0.00 0.00 35.03 31.72 2yyh n LYS 122 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2yyh s LEU 123 N -3.67 4.45 0.00 -0.35 1.43 -1.03 -1.54 118.68 117.97 2yyh s LEU 123 Ca 0.02 2.57 0.07 0.00 -1.03 0.00 0.00 54.13 55.77 2yyh s LEU 123 Cb 0.15 -3.64 0.07 0.00 0.03 0.00 0.00 46.19 42.80 2yyh s LEU 123 CO 0.87 -0.45 0.61 1.33 0.23 0.00 0.00 176.35 178.94 2yyh n VAL 124 N 1.08 0.00 -4.33 -1.59 0.24 0.23 -4.78 118.33 109.18 2yyh n VAL 124 Ca 0.00 -2.10 0.00 0.00 -2.04 0.00 0.00 64.34 60.20 2yyh n VAL 124 Cb 0.42 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.54 2yyh n VAL 124 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2yyh n PHE 125 N -2.05 0.00 -1.21 6.34 3.72 -1.26 -1.85 117.46 121.16 2yyh n PHE 125 Ca 0.07 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.38 2yyh n PHE 125 Cb 0.63 0.07 0.24 0.00 -0.94 0.00 0.00 39.48 39.47 2yyh n PHE 125 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2yyh n ASP 126 N -1.84 3.77 0.22 4.37 5.75 -1.25 -4.67 116.55 122.91 2yyh n ASP 126 Ca 0.00 -3.47 0.15 0.00 -0.01 0.00 0.00 54.79 51.47 2yyh n ASP 126 Cb 0.00 -0.72 0.68 0.00 -1.03 0.00 0.00 41.12 40.05 2yyh n ASP 126 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 2yyh h HIS 127 N 1.63 0.00 -0.22 2.11 3.86 -1.70 -2.20 115.15 118.63 2yyh h HIS 127 Ca 0.34 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.40 2yyh h HIS 127 Cb 2.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.69 2yyh h HIS 127 CO 1.23 0.00 -0.44 -0.22 0.86 0.00 0.00 177.93 179.36 2yyh h LYS 128 N 0.00 0.68 -0.43 2.45 3.64 -1.83 -1.06 116.57 120.02 2yyh h LYS 128 Ca 0.00 -0.44 -0.04 0.00 -1.27 0.00 0.00 60.65 58.89 2yyh h LYS 128 Cb 0.31 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2yyh h LYS 128 CO 0.00 1.06 0.10 0.87 -2.27 0.00 0.00 179.45 179.21 2yyh h LYS 129 N 0.39 0.70 -0.28 1.90 1.57 -1.79 -0.74 116.57 118.32 2yyh h LYS 129 Ca 0.01 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 2yyh h LYS 129 Cb 1.04 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 2yyh h LYS 129 CO 0.10 0.71 0.13 0.82 -0.57 0.00 0.00 179.45 180.63 2yyh h ILE 130 N 0.57 1.15 -0.48 1.86 2.04 -1.41 -0.42 117.51 120.81 2yyh h ILE 130 Ca 0.14 -0.44 -0.10 0.00 1.00 0.00 0.00 64.86 65.45 2yyh h ILE 130 Cb 0.33 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2yyh h ILE 130 CO 0.00 0.16 -0.10 0.40 0.00 0.00 0.00 178.15 178.60 2yyh h ILE 131 N 0.31 1.26 -0.55 -0.67 2.04 -1.13 -1.27 117.51 117.50 2yyh h ILE 131 Ca 0.09 -1.21 -0.08 0.00 1.00 0.00 0.00 64.86 64.66 2yyh h ILE 131 Cb 0.13 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 2yyh h ILE 131 CO -0.01 0.42 0.01 -0.07 0.00 0.00 0.00 178.15 178.50 2yyh h LEU 132 N 0.79 0.91 -0.78 1.44 3.38 -0.95 0.23 115.31 120.33 2yyh h LEU 132 Ca 0.13 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2yyh h LEU 132 Cb 0.62 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 2yyh h LEU 132 CO 0.04 0.96 0.47 0.44 0.09 0.00 0.00 178.44 180.45 2yyh h ASP 133 N 0.87 0.94 0.09 -0.43 3.32 -0.68 -0.13 116.42 120.39 2yyh h ASP 133 Ca 0.16 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 2yyh h ASP 133 Cb 0.50 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.81 2yyh h ASP 133 CO 0.02 0.72 -0.04 0.15 -1.72 0.00 0.00 179.24 178.37 2yyh h PHE 134 N 1.07 -0.11 -0.15 4.55 3.57 -0.65 0.29 116.94 125.51 2yyh h PHE 134 Ca 0.28 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 2yyh h PHE 134 Cb -0.04 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 2yyh h PHE 134 CO -0.01 0.03 0.00 -0.07 -2.23 0.00 0.00 178.31 176.04 2yyh h LEU 135 N -0.23 0.19 -0.54 0.59 3.38 -0.64 -2.13 115.31 115.94 2yyh h LEU 135 Ca -0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2yyh h LEU 135 Cb 0.19 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2yyh h LEU 135 CO 0.02 0.24 -0.14 0.29 0.09 0.00 0.00 178.44 178.93 2yyh n LYS 136 N -4.41 1.03 -1.57 1.13 5.02 -0.09 -4.93 118.16 114.34 2yyh n LYS 136 Ca -0.01 -0.54 -0.11 0.00 -2.02 0.00 0.00 58.31 55.64 2yyh n LYS 136 Cb 0.16 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 2yyh n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2yyh n GLY 137 N 1.27 0.82 2.75 0.72 0.00 -0.65 -4.91 105.19 105.17 2yyh n GLY 137 Ca 0.15 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 2yyh n GLY 137 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2yyh n ASN 138 N 0.21 4.47 0.00 1.61 3.02 -0.00 -5.03 115.26 119.54 2yyh n ASN 138 Ca -0.11 -2.91 0.00 0.00 -0.03 0.00 0.00 54.58 51.53 2yyh n ASN 138 Cb 0.42 -1.60 0.00 0.00 -0.61 0.00 0.00 39.78 37.99 2yyh n ASN 138 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64