#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yyh n ASN 4 N 0.00 -0.41 -4.83 -2.13 6.94 -1.26 -5.12 115.26 108.45 2yyh n ASN 4 Ca 0.00 -3.00 -0.34 0.00 -0.02 0.00 0.00 54.58 51.22 2yyh n ASN 4 Cb 0.00 0.40 -0.06 0.00 -2.36 0.00 0.00 39.78 37.76 2yyh n ASN 4 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 2yyh s VAL 5 N -1.35 4.60 -0.14 3.53 -7.23 -1.26 -5.06 120.40 113.49 2yyh s VAL 5 Ca 0.29 1.13 -0.04 0.00 -1.81 0.00 0.00 61.98 61.55 2yyh s VAL 5 Cb 0.37 -3.68 -0.03 0.00 0.56 0.00 0.00 36.38 33.60 2yyh s VAL 5 CO -0.05 -0.10 -0.01 -0.54 -0.31 0.00 0.00 175.10 174.09 2yyh s LYS 6 N -2.75 3.52 0.35 4.82 -0.14 -1.26 -5.10 119.74 119.18 2yyh s LYS 6 Ca 0.53 -0.46 0.04 0.00 -1.36 0.00 0.00 55.97 54.72 2yyh s LYS 6 Cb -0.12 -2.92 -0.03 0.00 -1.68 0.00 0.00 37.83 33.08 2yyh s LYS 6 CO 0.18 0.38 0.17 0.95 -0.76 0.00 0.00 175.35 176.27 2yyh s THR 7 N 0.01 0.36 1.06 2.17 -4.23 -1.26 -5.15 115.64 108.60 2yyh s THR 7 Ca 0.02 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.41 2yyh s THR 7 Cb -0.13 -2.45 0.22 0.00 1.34 0.00 0.00 72.50 71.48 2yyh s THR 7 CO 0.02 0.00 1.07 -2.84 -0.54 0.00 0.00 174.62 172.33 2yyh s PRO 8 N -3.69 -0.06 0.31 3.99 0.02 -1.26 -4.98 135.00 129.32 2yyh s PRO 8 Ca 0.32 0.78 -0.22 0.00 0.02 0.00 0.00 61.00 61.91 2yyh s PRO 8 Cb 0.03 -1.66 -0.09 0.00 0.02 0.00 0.00 34.50 32.80 2yyh s PRO 8 CO 0.19 -3.13 0.85 -0.51 -0.33 0.00 0.00 177.00 174.06 2yyh s LEU 9 N -6.80 4.24 -0.18 -5.54 1.43 -0.07 -4.91 118.68 106.85 2yyh s LEU 9 Ca 0.67 1.61 -0.05 0.00 -1.03 0.00 0.00 54.13 55.32 2yyh s LEU 9 Cb -0.22 -3.97 -0.03 0.00 0.03 0.00 0.00 46.19 42.00 2yyh s LEU 9 CO 0.61 -0.10 0.01 -0.22 0.23 0.00 0.00 176.35 176.88 2yyh s LEU 10 N -2.32 3.44 0.31 1.79 2.96 -1.26 -0.78 118.68 122.82 2yyh s LEU 10 Ca 0.50 -0.09 0.03 0.00 -0.22 0.00 0.00 54.13 54.35 2yyh s LEU 10 Cb -0.15 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 2yyh s LEU 10 CO 0.20 0.13 0.17 0.00 -1.32 0.00 0.00 176.35 175.53 2yyh s ALA 11 N 0.64 1.97 -0.15 5.97 0.00 -0.01 -1.45 121.76 128.72 2yyh s ALA 11 Ca 0.00 -1.76 -0.13 0.00 0.00 0.00 0.00 51.96 50.08 2yyh s ALA 11 Cb -0.14 1.17 0.04 0.00 0.00 0.00 0.00 23.12 24.19 2yyh s ALA 11 CO 0.02 -0.51 0.40 -0.08 0.00 0.00 0.00 175.76 175.59 2yyh s THR 12 N -3.59 -0.01 0.24 0.00 -1.32 -0.10 -1.35 115.64 109.51 2yyh s THR 12 Ca 0.36 0.02 0.10 0.00 -1.21 0.00 0.00 61.69 60.96 2yyh s THR 12 Cb 0.05 -0.57 -0.05 0.00 -1.51 0.00 0.00 72.50 70.42 2yyh s THR 12 CO 0.18 0.01 -0.17 -1.81 -2.21 0.00 0.00 174.62 170.62 2yyh s ASP 13 N 0.49 3.04 -0.02 8.08 1.01 -0.77 -1.49 116.67 127.01 2yyh s ASP 13 Ca -0.02 -1.01 0.01 0.00 0.71 0.00 0.00 52.55 52.24 2yyh s ASP 13 Cb -0.04 -0.21 0.01 0.00 1.01 0.00 0.00 42.92 43.69 2yyh s ASP 13 CO -0.03 -0.07 -0.04 -0.69 0.21 0.00 0.00 175.17 174.55 2yyh s VAL 14 N -2.70 0.44 -0.55 -1.27 1.01 -0.95 -1.63 120.40 114.76 2yyh s VAL 14 Ca 0.25 -0.15 -0.19 0.00 0.00 0.00 0.00 61.98 61.89 2yyh s VAL 14 Cb -0.03 -0.43 0.08 0.00 0.00 0.00 0.00 36.38 36.00 2yyh s VAL 14 CO 0.10 0.17 0.66 -0.63 0.00 0.00 0.00 175.10 175.40 2yyh s ILE 15 N 0.41 4.86 -0.35 2.22 1.01 0.73 -4.25 121.20 125.84 2yyh s ILE 15 Ca -0.05 -0.76 -0.20 0.00 0.00 0.00 0.00 60.65 59.64 2yyh s ILE 15 Cb -0.09 -4.39 0.00 0.00 0.01 0.00 0.00 42.46 38.00 2yyh s ILE 15 CO -0.00 -0.96 0.64 -0.63 0.00 0.00 0.00 174.94 173.99 2yyh s ILE 16 N 2.62 4.90 -0.31 2.92 1.01 -1.26 -0.98 121.20 130.10 2yyh s ILE 16 Ca 0.13 0.64 -0.26 0.00 0.00 0.00 0.00 60.65 61.17 2yyh s ILE 16 Cb -0.22 -4.06 0.01 0.00 0.01 0.00 0.00 42.46 38.20 2yyh s ILE 16 CO 0.09 -0.28 0.90 -0.13 0.00 0.00 0.00 174.94 175.52 2yyh s ARG 17 N 2.69 4.00 -0.01 2.79 0.52 -0.18 -2.03 118.95 126.73 2yyh s ARG 17 Ca 0.25 0.77 -0.16 0.00 -0.52 0.00 0.00 55.73 56.06 2yyh s ARG 17 Cb -0.15 -3.73 -0.06 0.00 0.52 0.00 0.00 34.95 31.53 2yyh s ARG 17 CO 0.14 -0.77 0.45 -1.17 0.02 0.00 0.00 175.30 173.97 2yyh s LEU 18 N 3.23 4.45 0.16 2.53 2.96 -0.34 -1.98 118.68 129.69 2yyh s LEU 18 Ca 0.37 0.99 0.06 0.00 -0.22 0.00 0.00 54.13 55.33 2yyh s LEU 18 Cb -0.13 -2.65 -0.04 0.00 0.50 0.00 0.00 46.19 43.86 2yyh s LEU 18 CO 0.14 0.26 -0.12 0.26 -1.32 0.00 0.00 176.35 175.56 2yyh s TRP 19 N -0.80 1.43 -0.44 5.38 0.52 0.12 -0.83 118.94 124.33 2yyh s TRP 19 Ca 0.25 -0.65 0.02 0.00 0.02 0.00 0.00 56.10 55.74 2yyh s TRP 19 Cb -0.17 -0.71 0.15 0.00 -1.15 0.00 0.00 33.47 31.59 2yyh s TRP 19 CO 0.14 0.18 0.28 0.34 0.02 0.00 0.00 176.95 177.91 2yyh s ASP 20 N -3.03 3.22 1.07 2.95 -1.08 -0.54 -4.00 116.67 115.26 2yyh s ASP 20 Ca 0.16 -2.75 0.00 0.00 -0.52 0.00 0.00 52.55 49.44 2yyh s ASP 20 Cb -0.00 -0.86 0.00 0.00 -1.46 0.00 0.00 42.92 40.60 2yyh s ASP 20 CO 0.03 -0.24 0.00 0.61 0.52 0.00 0.00 175.17 176.09 2yyh n GLY 21 N 3.35 0.64 1.41 2.66 0.00 -1.26 -2.40 105.19 109.58 2yyh n GLY 21 Ca 0.14 -0.64 0.10 0.00 0.00 0.00 0.00 46.02 45.62 2yyh n GLY 21 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2yyh n GLU 22 N 12.13 3.12 -3.29 1.61 0.28 -1.26 -4.86 120.64 128.37 2yyh n GLU 22 Ca 0.00 -2.59 -0.43 0.00 -0.16 0.00 0.00 57.16 53.98 2yyh n GLU 22 Cb 0.00 -1.71 -0.08 0.00 1.43 0.00 0.00 31.44 31.08 2yyh n GLU 22 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2yyh s ASN 23 N -0.93 6.22 0.12 -1.84 0.01 -1.01 -5.05 114.94 112.47 2yyh s ASN 23 Ca 0.47 -0.52 -0.31 0.00 -0.71 0.00 0.00 52.86 51.79 2yyh s ASN 23 Cb 0.28 -2.24 -0.07 0.00 0.41 0.00 0.00 41.25 39.63 2yyh s ASN 23 CO 0.27 -0.57 1.27 0.12 -1.51 0.00 0.00 177.10 176.67 2yyh s PHE 24 N 2.24 3.36 -0.16 2.20 5.36 -1.26 -1.47 117.98 128.25 2yyh s PHE 24 Ca 0.14 1.22 0.15 0.00 -0.96 0.00 0.00 56.93 57.49 2yyh s PHE 24 Cb -0.16 -3.52 -0.22 0.00 -0.34 0.00 0.00 43.02 38.77 2yyh s PHE 24 CO 0.14 -1.65 0.39 1.63 -1.46 0.00 0.00 175.22 174.28 2yyh n LYS 25 N 3.42 0.79 0.00 10.12 4.76 -0.01 -4.96 118.16 132.29 2yyh n LYS 25 Ca 0.08 -0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 2yyh n LYS 25 Cb 0.44 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.30 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 1.58 0.58 3.49 0.72 0.00 -1.24 -4.13 105.19 106.18 2yyh n GLY 26 Ca -0.02 -2.04 -0.26 0.00 0.00 0.00 0.00 46.02 43.71 2yyh n GLY 26 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2yyh s ILE 27 N -1.21 2.69 -0.29 -0.61 -4.36 -0.16 -1.19 121.20 116.07 2yyh s ILE 27 Ca 0.00 -1.99 -0.18 0.00 -0.26 0.00 0.00 60.65 58.21 2yyh s ILE 27 Cb 0.00 -2.34 -0.02 0.00 1.25 0.00 0.00 42.46 41.35 2yyh s ILE 27 CO 0.00 -0.19 0.54 -0.69 0.24 0.00 0.00 174.94 174.84 2yyh s VAL 28 N -1.89 5.03 0.18 8.37 1.01 -0.86 -0.32 120.40 131.93 2yyh s VAL 28 Ca 0.24 0.78 0.11 0.00 0.00 0.00 0.00 61.98 63.11 2yyh s VAL 28 Cb -0.07 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2yyh s VAL 28 CO 0.13 -0.02 -0.21 -0.76 0.00 0.00 0.00 175.10 174.24 2yyh s LEU 29 N 2.39 2.53 0.22 3.92 1.43 -0.52 -4.44 118.68 124.21 2yyh s LEU 29 Ca 0.22 -0.80 0.11 0.00 -1.03 0.00 0.00 54.13 52.63 2yyh s LEU 29 Cb -0.15 -1.27 -0.05 0.00 0.03 0.00 0.00 46.19 44.75 2yyh s LEU 29 CO 0.10 0.12 -0.22 0.27 0.23 0.00 0.00 176.35 176.86 2yyh s ILE 30 N -1.61 2.34 -0.36 -0.59 -4.36 0.08 -1.40 121.20 115.30 2yyh s ILE 30 Ca 0.21 -2.13 -0.10 0.00 -0.26 0.00 0.00 60.65 58.36 2yyh s ILE 30 Cb -0.08 -2.15 0.02 0.00 1.25 0.00 0.00 42.46 41.50 2yyh s ILE 30 CO 0.10 -0.22 0.19 -1.61 0.24 0.00 0.00 174.94 173.64 2yyh s GLU 31 N -2.93 2.90 0.52 0.37 2.02 -0.55 -0.62 118.70 120.41 2yyh s GLU 31 Ca 0.23 -1.02 -0.22 0.00 0.02 0.00 0.00 54.97 53.98 2yyh s GLU 31 Cb -0.07 -3.68 -0.06 0.00 0.10 0.00 0.00 34.13 30.43 2yyh s GLU 31 CO 0.11 -0.65 1.27 1.03 0.02 0.00 0.00 175.26 177.04 2yyh s ARG 32 N 1.55 3.35 -0.07 1.61 0.52 0.75 -0.58 118.95 126.08 2yyh s ARG 32 Ca 0.02 2.01 -0.16 0.00 -0.52 0.00 0.00 55.73 57.08 2yyh s ARG 32 Cb -0.19 -2.27 -0.29 0.00 0.52 0.00 0.00 34.95 32.71 2yyh s ARG 32 CO 0.06 -0.95 0.68 0.87 0.02 0.00 0.00 175.30 175.98 2yyh h LYS 33 N 1.61 0.31 -6.10 3.54 1.57 -1.69 -3.32 116.57 112.50 2yyh h LYS 33 Ca -0.50 -0.54 -0.58 0.00 -1.87 0.00 0.00 60.65 57.16 2yyh h LYS 33 Cb 1.28 0.20 -0.05 0.00 0.08 0.00 0.00 32.23 33.74 2yyh h LYS 33 CO 0.58 1.26 -0.53 0.71 -0.57 0.00 0.00 179.45 180.90 2yyh s TYR 34 N -2.50 3.33 0.16 -1.35 2.02 -1.26 -4.82 117.35 112.93 2yyh s TYR 34 Ca -0.17 0.09 -0.34 0.00 -0.37 0.00 0.00 57.07 56.28 2yyh s TYR 34 Cb 0.04 -1.62 -0.15 0.00 -0.40 0.00 0.00 41.96 39.82 2yyh s TYR 34 CO 0.81 0.53 1.34 -2.30 -1.57 0.00 0.00 175.55 174.37 2yyh n PRO 35 N -0.16 1.51 -2.45 -1.71 -0.02 -1.26 -3.23 135.00 127.69 2yyh n PRO 35 Ca -0.07 0.54 -0.43 0.00 -2.02 0.00 0.00 63.50 61.52 2yyh n PRO 35 Cb 0.53 -2.17 -0.02 0.00 -0.02 0.00 0.00 33.50 31.82 2yyh n PRO 35 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2yyh s PRO 36 N 0.13 4.25 -0.05 0.52 0.04 -1.26 -5.07 135.00 133.56 2yyh s PRO 36 Ca 0.77 1.63 -0.30 0.00 0.04 0.00 0.00 61.00 63.14 2yyh s PRO 36 Cb -0.81 -3.73 -0.03 0.00 0.04 0.00 0.00 34.50 29.97 2yyh s PRO 36 CO 0.47 -0.67 1.12 0.08 0.04 0.00 0.00 177.00 178.04 2yyh s VAL 37 N 3.32 4.46 -5.00 -0.36 1.01 -1.20 -4.80 120.40 117.84 2yyh s VAL 37 Ca 0.54 1.76 0.00 0.00 0.00 0.00 0.00 61.98 64.28 2yyh s VAL 37 Cb -0.21 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.04 2yyh s VAL 37 CO 0.14 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.89 2yyh n GLY 38 N 3.21 -0.94 3.73 4.51 0.00 -1.25 -4.95 105.19 109.49 2yyh n GLY 38 Ca 0.09 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 2yyh n GLY 38 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2yyh s LEU 39 N 0.00 4.50 0.25 0.99 2.96 -1.19 -0.18 118.68 126.00 2yyh s LEU 39 Ca 0.00 1.89 -0.20 0.00 -0.22 0.00 0.00 54.13 55.60 2yyh s LEU 39 Cb 0.00 -3.59 0.03 0.00 0.50 0.00 0.00 46.19 43.12 2yyh s LEU 39 CO 0.00 -0.11 0.65 0.00 -1.32 0.00 0.00 176.35 175.56 2yyh s ALA 40 N -0.09 -1.12 0.45 5.97 0.00 0.20 -0.79 121.76 126.38 2yyh s ALA 40 Ca 0.48 -0.24 -0.20 0.00 0.00 0.00 0.00 51.96 51.99 2yyh s ALA 40 Cb -0.25 0.88 -0.10 0.00 0.00 0.00 0.00 23.12 23.65 2yyh s ALA 40 CO 0.31 -0.94 0.97 -0.51 0.00 0.00 0.00 175.76 175.59 2yyh s LEU 41 N -2.90 3.89 0.58 0.00 1.43 -1.26 -0.74 118.68 119.68 2yyh s LEU 41 Ca 0.11 1.73 -0.16 0.00 -1.03 0.00 0.00 54.13 54.78 2yyh s LEU 41 Cb -0.04 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.59 2yyh s LEU 41 CO 0.03 -0.48 1.04 -2.16 0.23 0.00 0.00 176.35 175.01 2yyh s PRO 42 N -3.28 3.46 0.00 1.29 0.04 -1.26 -4.80 135.00 130.45 2yyh s PRO 42 Ca 0.63 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2yyh s PRO 42 Cb -0.11 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2yyh s PRO 42 CO 0.16 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 176.92 2yyh n GLY 43 N -1.20 -0.94 2.23 0.56 0.00 -1.26 -2.24 105.19 102.33 2yyh n GLY 43 Ca 0.08 -1.32 0.01 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.96 0.47 3.76 -0.02 0.00 -0.56 -4.99 105.19 102.90 2yyh n GLY 44 Ca 0.00 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.67 3.65 0.05 1.61 0.08 -1.26 -0.93 117.98 118.51 2yyh s PHE 45 Ca 0.16 1.76 -0.28 0.00 0.12 0.00 0.00 56.93 58.70 2yyh s PHE 45 Cb -0.01 -3.11 -0.05 0.00 -0.57 0.00 0.00 43.02 39.29 2yyh s PHE 45 CO 0.00 -0.16 0.88 0.08 -0.10 0.00 0.00 175.22 175.92 2yyh s VAL 46 N -1.34 4.70 0.41 -0.44 1.01 -0.53 -4.90 120.40 119.32 2yyh s VAL 46 Ca 0.47 1.88 -0.13 0.00 0.00 0.00 0.00 61.98 64.20 2yyh s VAL 46 Cb -0.26 -4.23 -0.07 0.00 0.00 0.00 0.00 36.38 31.81 2yyh s VAL 46 CO 0.33 0.29 0.82 -1.61 0.00 0.00 0.00 175.10 174.93 2yyh s GLU 47 N 0.28 3.88 0.24 2.72 2.02 -1.26 -4.87 118.70 121.71 2yyh s GLU 47 Ca 0.45 0.64 -0.31 0.00 0.02 0.00 0.00 54.97 55.77 2yyh s GLU 47 Cb -0.21 -2.33 -0.11 0.00 0.10 0.00 0.00 34.13 31.57 2yyh s GLU 47 CO 0.26 -0.05 1.62 0.08 0.02 0.00 0.00 175.26 177.19 2yyh s VAL 48 N -2.35 2.18 0.00 2.63 1.01 -1.26 -1.55 120.40 121.06 2yyh s VAL 48 Ca 0.54 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.66 2yyh s VAL 48 Cb -0.10 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2yyh s VAL 48 CO 0.28 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.01 2yyh n GLY 49 N 3.04 0.78 3.52 4.51 0.00 -1.26 -5.04 105.19 110.74 2yyh n GLY 49 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 2yyh n GLY 49 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yyh s GLU 50 N -0.33 3.01 0.48 1.61 2.12 -0.60 -5.10 118.70 119.89 2yyh s GLU 50 Ca 0.00 -0.58 -0.22 0.00 0.36 0.00 0.00 54.97 54.54 2yyh s GLU 50 Cb 0.00 -2.64 -0.07 0.00 0.26 0.00 0.00 34.13 31.68 2yyh s GLU 50 CO 0.00 0.51 1.12 1.03 -0.54 0.00 0.00 175.26 177.37 2yyh s ARG 51 N -0.39 3.69 0.25 4.30 0.52 -1.26 -4.73 118.95 121.33 2yyh s ARG 51 Ca 0.05 1.62 -0.05 0.00 -0.52 0.00 0.00 55.73 56.83 2yyh s ARG 51 Cb -0.12 -2.24 0.33 0.00 0.52 0.00 0.00 34.95 33.43 2yyh s ARG 51 CO 0.02 -0.57 1.89 0.28 0.02 0.00 0.00 175.30 176.95 2yyh h VAL 52 N 1.65 1.15 -0.54 3.52 2.07 -1.99 -0.65 116.25 121.45 2yyh h VAL 52 Ca -0.49 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 66.58 2yyh h VAL 52 Cb 1.24 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 2yyh h VAL 52 CO 0.59 0.22 0.20 -0.33 0.02 0.00 0.00 177.57 178.27 2yyh h GLU 53 N 1.20 0.78 -0.31 1.57 3.07 -2.00 -0.63 114.58 118.26 2yyh h GLU 53 Ca 0.39 -0.12 -0.13 0.00 -0.50 0.00 0.00 59.36 59.00 2yyh h GLU 53 Cb 0.04 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.81 2yyh h GLU 53 CO -0.13 0.65 -0.30 0.93 -1.40 0.00 0.00 179.01 178.76 2yyh h GLU 54 N 0.77 0.75 -0.68 2.33 5.08 -1.66 -2.08 114.58 119.09 2yyh h GLU 54 Ca 0.18 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 2yyh h GLU 54 Cb 0.17 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2yyh h GLU 54 CO -0.02 1.02 0.35 0.00 -1.00 0.00 0.00 179.01 179.36 2yyh h ALA 55 N 0.72 0.88 0.33 3.43 0.00 -0.71 -0.53 119.26 123.37 2yyh h ALA 55 Ca 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2yyh h ALA 55 Cb 0.87 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2yyh h ALA 55 CO 0.08 0.42 -0.19 0.00 0.00 0.00 0.00 179.25 179.56 2yyh h ALA 56 N 1.17 -0.48 -0.56 0.00 0.00 -1.04 0.23 119.26 118.57 2yyh h ALA 56 Ca 0.24 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.11 2yyh h ALA 56 Cb 0.09 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2yyh h ALA 56 CO -0.03 -0.78 0.26 0.00 0.00 0.00 0.00 179.25 178.70 2yyh h ALA 57 N 0.17 0.73 -0.24 0.00 0.00 -1.20 -2.65 119.26 116.06 2yyh h ALA 57 Ca -0.04 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2yyh h ALA 57 Cb 0.40 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2yyh h ALA 57 CO 0.05 -0.11 0.12 -0.09 0.00 0.00 0.00 179.25 179.22 2yyh h ARG 58 N 0.49 0.34 -1.89 0.00 2.43 -0.90 -1.89 114.38 112.97 2yyh h ARG 58 Ca 0.26 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 2yyh h ARG 58 Cb 0.22 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2yyh h ARG 58 CO -0.21 0.34 0.00 0.39 -1.51 0.00 0.00 179.97 178.98 2yyh n GLU 59 N -4.84 0.12 0.00 0.20 -0.58 0.05 -1.28 120.64 114.32 2yyh n GLU 59 Ca -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 2yyh n GLU 59 Cb 0.09 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 2yyh n GLU 59 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2yyh n ARG 61 N 1.02 0.00 0.01 3.49 1.74 -0.71 -0.60 116.66 121.61 2yyh n ARG 61 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 2yyh n ARG 61 Cb 0.06 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.45 2yyh n ARG 61 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2yyh h GLU 62 N 0.00 0.04 0.02 5.56 5.08 -1.46 0.15 114.58 123.96 2yyh h GLU 62 Ca 0.00 -0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 2yyh h GLU 62 Cb 0.00 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2yyh h GLU 62 CO 0.00 0.03 -1.38 0.93 -1.00 0.00 0.00 179.01 177.59 2yyh h GLU 63 N 0.04 0.04 -0.00 2.33 5.08 -1.01 -3.33 114.58 117.73 2yyh h GLU 63 Ca 0.03 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2yyh h GLU 63 Cb 0.03 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2yyh h GLU 63 CO -0.05 0.81 -0.06 0.25 -1.00 0.00 0.00 179.01 178.96 2yyh n THR 64 N -3.24 0.00 -1.08 1.13 -2.24 -1.25 -2.61 114.28 105.00 2yyh n THR 64 Ca -0.10 -0.47 -0.03 0.00 -2.27 0.00 0.00 64.05 61.19 2yyh n THR 64 Cb 1.00 1.00 -0.01 0.00 -2.10 0.00 0.00 70.33 70.22 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 0.98 0.43 3.89 3.38 0.00 0.51 -0.21 105.19 114.16 2yyh n GLY 65 Ca 0.00 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.61 4.23 -0.63 0.99 1.43 -1.26 -4.74 118.68 118.09 2yyh s LEU 66 Ca 0.00 0.20 -0.18 0.00 -1.03 0.00 0.00 54.13 53.12 2yyh s LEU 66 Cb 0.00 -2.84 0.12 0.00 0.03 0.00 0.00 46.19 43.50 2yyh s LEU 66 CO 0.00 0.17 0.71 -1.61 0.23 0.00 0.00 176.35 175.85 2yyh s GLU 67 N -2.49 3.13 -0.11 1.70 0.41 -1.26 -3.55 118.70 116.53 2yyh s GLU 67 Ca 0.34 -1.53 -0.16 0.00 -0.41 0.00 0.00 54.97 53.20 2yyh s GLU 67 Cb -0.13 -4.34 -0.05 0.00 -1.78 0.00 0.00 34.13 27.84 2yyh s GLU 67 CO 0.27 -1.50 0.39 0.08 -0.49 0.00 0.00 175.26 174.00 2yyh s VAL 68 N 2.25 5.20 -0.35 2.63 1.01 -1.26 -4.56 120.40 125.33 2yyh s VAL 68 Ca 0.12 0.77 -0.12 0.00 0.00 0.00 0.00 61.98 62.75 2yyh s VAL 68 Cb -0.22 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.44 2yyh s VAL 68 CO 0.03 0.41 0.23 -0.60 0.00 0.00 0.00 175.10 175.16 2yyh s ARG 69 N 0.19 3.24 0.25 2.72 3.52 -0.14 -4.90 118.95 123.83 2yyh s ARG 69 Ca 0.22 -0.81 -0.30 0.00 -0.13 0.00 0.00 55.73 54.71 2yyh s ARG 69 Cb -0.15 -3.77 -0.10 0.00 -1.56 0.00 0.00 34.95 29.38 2yyh s ARG 69 CO 0.08 -0.54 1.39 -0.51 -0.81 0.00 0.00 175.30 174.91 2yyh s LEU 70 N 1.66 4.40 -0.10 -0.88 1.43 -1.26 -1.32 118.68 122.61 2yyh s LEU 70 Ca 0.05 2.61 0.02 0.00 -1.03 0.00 0.00 54.13 55.78 2yyh s LEU 70 Cb -0.18 -3.62 -0.08 0.00 0.03 0.00 0.00 46.19 42.34 2yyh s LEU 70 CO 0.09 -0.64 -0.07 1.57 0.23 0.00 0.00 176.35 177.53 2yyh n HIS 71 N 2.17 0.00 -3.70 0.29 -0.00 0.16 -4.92 115.22 109.22 2yyh n HIS 71 Ca 0.06 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.64 2yyh n HIS 71 Cb 0.41 -0.41 -0.09 0.00 -0.00 0.00 0.00 29.99 29.90 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 -2.21 0.60 0.76 1.57 2.47 -0.84 -5.00 119.74 117.10 2yyh s LYS 72 Ca -0.12 0.71 -0.12 0.00 -1.56 0.00 0.00 55.97 54.89 2yyh s LYS 72 Cb 0.03 0.29 0.05 0.00 -1.46 0.00 0.00 37.83 36.75 2yyh s LYS 72 CO 0.27 -0.07 1.12 -1.17 0.16 0.00 0.00 175.35 175.65 2yyh s LEU 73 N 0.27 2.68 0.40 5.43 2.96 -1.26 -0.83 118.68 128.33 2yyh s LEU 73 Ca -0.00 1.09 0.08 0.00 -0.22 0.00 0.00 54.13 55.08 2yyh s LEU 73 Cb -0.04 -3.75 -0.01 0.00 0.50 0.00 0.00 46.19 42.89 2yyh s LEU 73 CO 0.01 -1.69 0.43 -0.83 -1.32 0.00 0.00 176.35 172.95 2yyh s GLY 75 N -4.27 1.99 -0.17 7.98 0.00 -1.04 -4.94 107.32 106.87 2yyh s GLY 75 Ca 0.60 -1.75 0.01 0.00 0.00 0.00 0.00 44.72 43.58 2yyh s GLY 75 CO 0.52 -1.59 -0.19 0.14 0.00 0.00 0.00 173.10 171.97 2yyh s VAL 76 N -2.39 1.97 -0.28 1.40 1.01 -1.26 -0.48 120.40 120.37 2yyh s VAL 76 Ca 0.49 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 2yyh s VAL 76 Cb -0.06 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 2yyh s VAL 76 CO 0.30 0.53 0.10 -0.31 0.00 0.00 0.00 175.10 175.71 2yyh s TYR 77 N 1.24 3.13 -0.05 5.22 2.02 -0.33 -4.96 117.35 123.61 2yyh s TYR 77 Ca 0.03 -0.59 0.08 0.00 -0.37 0.00 0.00 57.07 56.22 2yyh s TYR 77 Cb -0.13 -2.28 0.12 0.00 -0.40 0.00 0.00 41.96 39.26 2yyh s TYR 77 CO -0.11 -0.44 0.99 -1.13 -1.57 0.00 0.00 175.55 173.30 2yyh n SER 78 N 4.93 1.53 -4.68 2.29 3.41 -1.26 -1.45 113.62 118.39 2yyh n SER 78 Ca -0.15 -2.30 -0.48 0.00 -0.26 0.00 0.00 58.87 55.67 2yyh n SER 78 Cb 0.50 -0.21 -0.05 0.00 -0.26 0.00 0.00 64.21 64.19 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 -0.72 3.31 0.05 4.04 -0.08 -1.26 -4.80 116.55 117.09 2yyh n ASP 79 Ca 0.06 1.00 0.22 0.00 -1.51 0.00 0.00 54.79 54.56 2yyh n ASP 79 Cb 0.52 -1.37 0.70 0.00 2.34 0.00 0.00 41.12 43.32 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 8.52 0.00 -0.45 -0.67 0.11 -1.96 -1.30 132.00 136.23 2yyh h PRO 80 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2yyh h PRO 80 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2yyh h PRO 80 CO 0.94 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.12 2yyh n GLU 81 N -3.62 2.46 0.02 1.05 -0.58 -1.26 -4.53 120.64 114.18 2yyh n GLU 81 Ca 0.10 -2.23 -0.02 0.00 -0.42 0.00 0.00 57.16 54.59 2yyh n GLU 81 Cb 0.75 -1.51 0.25 0.00 -0.57 0.00 0.00 31.44 30.36 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 4.15 0.46 -5.12 3.49 0.11 -1.57 -3.41 114.38 112.48 2yyh h ARG 82 Ca 0.00 -0.14 -0.67 0.00 0.10 0.00 0.00 59.98 59.27 2yyh h ARG 82 Cb 0.92 -0.04 -0.34 0.00 1.11 0.00 0.00 29.97 31.62 2yyh h ARG 82 CO 0.00 0.62 -0.86 0.34 0.10 0.00 0.00 179.97 180.16 2yyh s ASP 83 N -6.79 3.06 0.32 0.08 -1.08 -1.26 -4.00 116.67 107.00 2yyh s ASP 83 Ca -0.07 -0.60 0.26 0.00 -0.52 0.00 0.00 52.55 51.62 2yyh s ASP 83 Cb 0.14 -1.43 1.06 0.00 -1.46 0.00 0.00 42.92 41.24 2yyh s ASP 83 CO 0.78 0.05 1.77 1.55 0.52 0.00 0.00 175.17 179.84 2yyh h PRO 84 N 7.50 0.00 0.00 4.34 0.13 -1.93 -3.20 132.00 138.85 2yyh h PRO 84 Ca -0.36 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.60 2yyh h PRO 84 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2yyh h PRO 84 CO 0.57 0.00 -0.81 0.00 -0.23 0.00 0.00 178.00 177.53 2yyh h ARG 85 N 0.00 0.04 0.00 0.86 3.08 -1.97 -3.49 114.38 112.90 2yyh h ARG 85 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2yyh h ARG 85 Cb 0.40 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.46 2yyh h ARG 85 CO 0.00 0.83 0.00 0.00 -1.07 0.00 0.00 179.97 179.73 2yyh n ALA 86 N -2.40 0.00 -2.65 0.04 0.00 -1.21 -5.06 120.51 109.23 2yyh n ALA 86 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 2yyh n ALA 86 Cb 0.78 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.19 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 -2.49 2.47 -0.18 0.00 5.65 -1.26 -4.42 115.29 115.06 2yyh s HIS 87 Ca 0.00 -0.14 -0.02 0.00 0.25 0.00 0.00 55.06 55.15 2yyh s HIS 87 Cb 0.00 -4.48 -0.01 0.00 -1.18 0.00 0.00 32.58 26.92 2yyh s HIS 87 CO 0.00 -1.85 -0.10 0.08 -0.65 0.00 0.00 174.74 172.23 2yyh s VAL 88 N 5.03 3.06 -0.18 0.89 1.01 -1.26 -0.89 120.40 128.05 2yyh s VAL 88 Ca 0.32 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.59 2yyh s VAL 88 Cb -0.11 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 2yyh s VAL 88 CO 0.15 0.48 0.09 -0.69 0.00 0.00 0.00 175.10 175.13 2yyh s VAL 89 N 1.03 5.06 -0.11 2.92 1.01 0.04 -4.69 120.40 125.66 2yyh s VAL 89 Ca -0.00 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.06 2yyh s VAL 89 Cb -0.15 -3.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 2yyh s VAL 89 CO -0.02 0.47 -0.19 -0.55 0.00 0.00 0.00 175.10 174.81 2yyh s SER 90 N 0.25 3.52 -0.32 3.32 0.15 -0.53 -0.83 113.70 119.26 2yyh s SER 90 Ca 0.06 -0.44 -0.18 0.00 0.70 0.00 0.00 55.95 56.08 2yyh s SER 90 Cb -0.12 -1.44 -0.01 0.00 -1.71 0.00 0.00 66.02 62.74 2yyh s SER 90 CO -0.00 0.17 0.53 -0.69 1.20 0.00 0.00 173.24 174.45 2yyh s VAL 91 N 0.28 5.02 -0.19 4.45 1.01 -0.45 -1.19 120.40 129.33 2yyh s VAL 91 Ca -0.14 0.56 -0.08 0.00 0.00 0.00 0.00 61.98 62.32 2yyh s VAL 91 Cb -0.17 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2yyh s VAL 91 CO 0.07 -0.12 0.08 -0.69 0.00 0.00 0.00 175.10 174.44 2yyh s VAL 92 N 2.41 4.96 0.28 2.92 1.01 0.37 -1.84 120.40 130.50 2yyh s VAL 92 Ca 0.20 0.03 0.10 0.00 0.00 0.00 0.00 61.98 62.31 2yyh s VAL 92 Cb -0.15 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 2yyh s VAL 92 CO 0.12 0.45 -0.05 0.26 0.00 0.00 0.00 175.10 175.88 2yyh s TRP 93 N 0.38 2.58 -0.11 5.22 0.52 -0.64 -2.51 118.94 124.37 2yyh s TRP 93 Ca 0.04 -0.27 0.01 0.00 0.02 0.00 0.00 56.10 55.90 2yyh s TRP 93 Cb -0.12 -1.18 -0.02 0.00 -1.15 0.00 0.00 33.47 31.00 2yyh s TRP 93 CO -0.00 0.63 -0.13 0.42 0.02 0.00 0.00 176.95 177.88 2yyh s ILE 94 N -2.39 3.08 0.33 2.03 1.01 -0.01 -0.19 121.20 125.06 2yyh s ILE 94 Ca 0.31 -0.67 0.06 0.00 0.00 0.00 0.00 60.65 60.36 2yyh s ILE 94 Cb -0.05 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.12 2yyh s ILE 94 CO 0.19 0.54 0.23 0.61 0.00 0.00 0.00 174.94 176.51 2yyh n GLY 95 N 3.25 3.06 3.04 6.18 0.00 -0.15 -0.67 105.19 119.90 2yyh n GLY 95 Ca -0.18 -1.94 -0.12 0.00 0.00 0.00 0.00 46.02 43.78 2yyh n GLY 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2yyh s ASP 96 N -3.23 0.70 0.04 1.61 1.01 -0.43 -1.01 116.67 115.37 2yyh s ASP 96 Ca 0.33 -0.51 -0.15 0.00 0.71 0.00 0.00 52.55 52.93 2yyh s ASP 96 Cb 0.02 0.04 0.03 0.00 1.01 0.00 0.00 42.92 44.01 2yyh s ASP 96 CO 0.23 -0.21 0.34 0.00 0.21 0.00 0.00 175.17 175.75 2yyh s ALA 97 N -1.30 -0.79 0.46 5.23 0.00 -0.84 -0.97 121.76 123.54 2yyh s ALA 97 Ca -0.10 0.12 0.05 0.00 0.00 0.00 0.00 51.96 52.03 2yyh s ALA 97 Cb -0.09 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 2yyh s ALA 97 CO 0.00 -0.42 0.15 -0.65 0.00 0.00 0.00 175.76 174.84 2yyh s GLN 98 N -2.45 2.18 0.04 0.00 -1.52 -1.26 -0.70 119.66 115.94 2yyh s GLN 98 Ca -0.06 -2.06 0.00 0.00 -1.95 0.00 0.00 55.36 51.29 2yyh s GLN 98 Cb -0.01 -1.83 0.00 0.00 -0.22 0.00 0.00 33.01 30.95 2yyh s GLN 98 CO -0.03 -0.25 0.00 0.41 -0.25 0.00 0.00 175.29 175.17 2yyh n GLY 99 N -1.29 -3.59 3.46 3.09 0.00 -1.26 -4.69 105.19 100.91 2yyh n GLY 99 Ca -0.06 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.86 3.65 0.49 1.61 2.56 -1.26 -4.92 118.70 119.97 2yyh s GLU 100 Ca 0.00 -0.51 -0.21 0.00 0.00 0.00 0.00 54.97 54.26 2yyh s GLU 100 Cb 0.00 -3.10 -0.08 0.00 2.00 0.00 0.00 34.13 32.95 2yyh s GLU 100 CO 0.00 0.02 1.08 -1.25 -0.56 0.00 0.00 175.26 174.55 2yyh s PRO 101 N 0.98 3.69 -0.05 4.30 0.04 -1.26 -4.79 135.00 137.92 2yyh s PRO 101 Ca 0.02 1.49 -0.01 0.00 0.04 0.00 0.00 61.00 62.54 2yyh s PRO 101 Cb -0.14 -2.14 0.03 0.00 0.04 0.00 0.00 34.50 32.29 2yyh s PRO 101 CO 0.02 -0.54 0.02 0.21 0.04 0.00 0.00 177.00 176.75 2yyh s LYS 102 N -3.13 0.31 0.66 4.56 2.20 0.71 -4.99 119.74 120.05 2yyh s LYS 102 Ca 0.68 0.20 -0.17 0.00 -0.36 0.00 0.00 55.97 56.32 2yyh s LYS 102 Cb -0.20 -0.71 0.00 0.00 -1.51 0.00 0.00 37.83 35.41 2yyh s LYS 102 CO 0.24 -0.28 1.22 0.00 -0.36 0.00 0.00 175.35 176.17 2yyh s ALA 103 N 1.85 2.33 -0.11 3.13 0.00 -1.26 -3.02 121.76 124.68 2yyh s ALA 103 Ca 0.02 0.97 -0.33 0.00 0.00 0.00 0.00 51.96 52.62 2yyh s ALA 103 Cb -0.12 -3.47 0.13 0.00 0.00 0.00 0.00 23.12 19.65 2yyh s ALA 103 CO -0.04 -1.54 1.18 0.20 0.00 0.00 0.00 175.76 175.56 2yyh s GLY 104 N -1.80 -0.34 0.00 0.00 0.00 -1.07 -4.93 107.32 99.18 2yyh s GLY 104 Ca 0.76 1.25 0.00 0.00 0.00 0.00 0.00 44.72 46.74 2yyh s GLY 104 CO 0.40 0.39 0.00 1.44 0.00 0.00 0.00 173.10 175.33 2yyh n SER 105 N -0.22 0.00 0.00 1.64 7.64 -1.25 -1.87 113.62 119.56 2yyh n SER 105 Ca -0.03 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.92 2yyh n SER 105 Cb 0.60 0.00 0.36 0.00 -1.01 0.00 0.00 64.21 64.16 2yyh n SER 105 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2yyh n ASP 106 N 6.25 0.00 -4.49 6.43 9.92 -1.26 -4.63 116.55 128.77 2yyh n ASP 106 Ca 0.00 0.19 -0.42 0.00 -0.53 0.00 0.00 54.79 54.03 2yyh n ASP 106 Cb 0.00 -0.35 -0.10 0.00 -0.64 0.00 0.00 41.12 40.03 2yyh n ASP 106 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2yyh s ALA 107 N -2.69 3.49 0.31 2.24 0.00 -0.78 -1.79 121.76 122.54 2yyh s ALA 107 Ca 0.12 -1.58 0.04 0.00 0.00 0.00 0.00 51.96 50.54 2yyh s ALA 107 Cb 0.10 -2.80 0.51 0.00 0.00 0.00 0.00 23.12 20.93 2yyh s ALA 107 CO 0.24 -1.25 1.79 0.87 0.00 0.00 0.00 175.76 177.41 2yyh h LYS 108 N 8.57 0.46 -3.67 0.00 1.79 -1.10 -3.14 116.57 119.47 2yyh h LYS 108 Ca -0.29 -0.14 -0.07 0.00 -2.18 0.00 0.00 60.65 57.96 2yyh h LYS 108 Cb 1.14 -0.04 -0.13 0.00 -1.58 0.00 0.00 32.23 31.61 2yyh h LYS 108 CO 0.69 0.62 -0.23 0.15 -1.08 0.00 0.00 179.45 179.59 2yyh s LYS 109 N -4.66 1.07 -0.05 3.15 1.02 -1.18 -4.89 119.74 114.20 2yyh s LYS 109 Ca -0.07 -0.96 -0.03 0.00 0.02 0.00 0.00 55.97 54.92 2yyh s LYS 109 Cb 0.14 0.41 0.02 0.00 -0.52 0.00 0.00 37.83 37.89 2yyh s LYS 109 CO 0.78 -0.40 0.13 0.54 -0.92 0.00 0.00 175.35 175.48 2yyh s VAL 110 N -3.89 -0.03 -0.07 3.17 0.11 -1.26 -1.48 120.40 116.96 2yyh s VAL 110 Ca 0.09 0.09 -0.20 0.00 -2.93 0.00 0.00 61.98 59.04 2yyh s VAL 110 Cb 0.03 -0.20 0.04 0.00 -1.53 0.00 0.00 36.38 34.72 2yyh s VAL 110 CO -0.06 0.04 0.46 -0.75 -3.33 0.00 0.00 175.10 171.45 2yyh s LYS 111 N 0.61 0.74 0.08 1.54 2.20 -0.49 -4.85 119.74 119.58 2yyh s LYS 111 Ca -0.05 0.18 -0.20 0.00 -0.36 0.00 0.00 55.97 55.54 2yyh s LYS 111 Cb -0.06 0.34 -0.07 0.00 -1.51 0.00 0.00 37.83 36.53 2yyh s LYS 111 CO -0.03 -0.19 0.60 0.54 -0.36 0.00 0.00 175.35 175.91 2yyh s VAL 112 N -0.83 4.69 -0.07 4.02 0.11 -1.26 -1.44 120.40 125.62 2yyh s VAL 112 Ca -0.09 1.29 0.05 0.00 -2.93 0.00 0.00 61.98 60.29 2yyh s VAL 112 Cb -0.03 -3.93 -0.00 0.00 -1.53 0.00 0.00 36.38 30.88 2yyh s VAL 112 CO 0.05 0.55 -0.23 -0.31 -3.33 0.00 0.00 175.10 171.83 2yyh s TYR 113 N -1.08 2.33 0.53 1.54 2.02 0.57 -4.91 117.35 118.34 2yyh s TYR 113 Ca 0.30 -0.82 -0.22 0.00 -0.37 0.00 0.00 57.07 55.96 2yyh s TYR 113 Cb -0.20 -1.56 -0.05 0.00 -0.40 0.00 0.00 41.96 39.75 2yyh s TYR 113 CO 0.20 -0.30 1.28 1.03 -1.57 0.00 0.00 175.55 176.19 2yyh s ARG 114 N 0.13 3.29 0.57 -0.62 0.52 -1.26 -0.99 118.95 120.58 2yyh s ARG 114 Ca -0.11 2.04 0.29 0.00 -0.52 0.00 0.00 55.73 57.43 2yyh s ARG 114 Cb -0.15 -2.25 1.72 0.00 0.52 0.00 0.00 34.95 34.78 2yyh s ARG 114 CO 0.06 -1.01 2.21 -0.07 0.02 0.00 0.00 175.30 176.50 2yyh h LEU 115 N 1.54 0.00 -0.33 2.53 3.38 -1.93 -1.30 115.31 119.19 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 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2yyh h LEU 115 CO 0.58 0.03 -0.15 -0.62 0.09 0.00 0.00 178.44 178.37 2yyh n GLU 116 N -3.83 0.76 -0.65 1.13 4.71 -1.26 -4.03 120.64 117.47 2yyh n GLU 116 Ca -0.03 -0.33 0.06 0.00 -0.01 0.00 0.00 57.16 56.85 2yyh n GLU 116 Cb 0.12 -1.49 0.16 0.00 -1.01 0.00 0.00 31.44 29.21 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 -0.83 1.22 -2.86 3.49 1.02 -0.49 -5.03 120.64 117.15 2yyh n GLU 117 Ca 0.14 -2.88 -0.41 0.00 -0.02 0.00 0.00 57.16 53.98 2yyh n GLU 117 Cb 0.30 -1.29 -0.04 0.00 -0.02 0.00 0.00 31.44 30.39 2yyh n GLU 117 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2yyh s ILE 118 N -2.52 4.87 -1.12 -3.67 1.01 -1.22 -4.79 121.20 113.76 2yyh s ILE 118 Ca 0.35 1.70 -0.21 0.00 0.00 0.00 0.00 60.65 62.49 2yyh s ILE 118 Cb 0.34 -4.16 0.06 0.00 0.01 0.00 0.00 42.46 38.71 2yyh s ILE 118 CO -0.07 0.03 1.54 -2.16 0.00 0.00 0.00 174.94 174.29 2yyh s PRO 119 N 2.07 3.75 0.35 2.79 0.04 -1.26 -4.83 135.00 137.90 2yyh s PRO 119 Ca 0.40 -1.50 0.11 0.00 0.04 0.00 0.00 61.00 60.06 2yyh s PRO 119 Cb -0.17 -5.40 0.89 0.00 0.04 0.00 0.00 34.50 29.86 2yyh s PRO 119 CO 0.13 -2.20 1.80 -0.07 0.04 0.00 0.00 177.00 176.70 2yyh h LEU 120 N 12.57 0.63 0.00 -3.56 3.38 -1.99 -1.16 115.31 125.18 2yyh h LEU 120 Ca 0.29 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2yyh h LEU 120 Cb 0.96 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2yyh h LEU 120 CO 1.43 0.21 0.00 0.47 0.09 0.00 0.00 178.44 180.64 2yyh n ASP 121 N -4.67 0.00 0.00 -0.43 8.00 -1.26 -2.53 116.55 115.66 2yyh n ASP 121 Ca 0.23 -0.99 0.10 0.00 0.71 0.00 0.00 54.79 54.84 2yyh n ASP 121 Cb 0.66 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.70 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 -0.97 0.06 -2.13 -1.24 5.02 -0.44 -4.95 118.16 113.51 2yyh n LYS 122 Ca 0.22 -0.01 -0.41 0.00 -2.02 0.00 0.00 58.31 56.08 2yyh n LYS 122 Cb 0.10 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 33.57 2yyh n LYS 122 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2yyh s LEU 123 N -3.16 4.41 0.70 -0.35 1.43 -1.05 -3.19 118.68 117.46 2yyh s LEU 123 Ca 0.07 2.54 -0.01 0.00 -1.03 0.00 0.00 54.13 55.70 2yyh s LEU 123 Cb 0.16 -3.62 0.11 0.00 0.03 0.00 0.00 46.19 42.87 2yyh s LEU 123 CO 0.84 -0.59 0.96 0.68 0.23 0.00 0.00 176.35 178.47 2yyh s VAL 124 N -0.09 2.23 0.00 -1.59 -7.23 0.03 -4.73 120.40 109.02 2yyh s VAL 124 Ca 0.57 -0.58 0.00 0.00 -1.81 0.00 0.00 61.98 60.16 2yyh s VAL 124 Cb -0.39 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 33.90 2yyh s VAL 124 CO 0.42 0.00 0.00 0.49 -0.31 0.00 0.00 175.10 175.70 2yyh n PHE 125 N -2.77 0.00 -1.17 2.82 3.72 -1.26 -1.81 117.46 116.99 2yyh n PHE 125 Ca 0.13 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.46 2yyh n PHE 125 Cb 0.60 0.04 0.25 0.00 -0.94 0.00 0.00 39.48 39.44 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 -1.02 3.93 0.29 4.37 5.75 -1.26 -4.65 116.55 123.97 2yyh n ASP 126 Ca 0.00 -3.40 0.18 0.00 -0.01 0.00 0.00 54.79 51.56 2yyh n ASP 126 Cb 0.00 -0.71 0.87 0.00 -1.03 0.00 0.00 41.12 40.25 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 1.81 0.00 -0.46 2.11 3.86 -1.67 -1.66 115.15 119.15 2yyh h HIS 127 Ca 0.29 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.38 2yyh h HIS 127 Cb 2.16 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.62 2yyh h HIS 127 CO 1.18 0.03 -0.22 -0.22 0.86 0.00 0.00 177.93 179.56 2yyh h LYS 128 N 0.00 0.93 -0.34 2.45 3.64 -1.82 -0.05 116.57 121.39 2yyh h LYS 128 Ca -0.00 -0.39 -0.05 0.00 -1.27 0.00 0.00 60.65 58.94 2yyh h LYS 128 Cb 0.31 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2yyh h LYS 128 CO 0.00 1.05 0.02 0.87 -2.27 0.00 0.00 179.45 179.12 2yyh h LYS 129 N 0.81 0.58 -0.35 1.90 1.57 -1.69 -0.74 116.57 118.65 2yyh h LYS 129 Ca 0.11 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 2yyh h LYS 129 Cb 0.78 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 2yyh h LYS 129 CO 0.06 0.69 0.04 0.82 -0.57 0.00 0.00 179.45 180.50 2yyh h ILE 130 N 0.39 1.24 -0.31 1.86 2.04 -1.31 -1.45 117.51 119.98 2yyh h ILE 130 Ca 0.10 -0.88 -0.10 0.00 1.00 0.00 0.00 64.86 64.97 2yyh h ILE 130 Cb 0.42 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2yyh h ILE 130 CO 0.01 0.29 -0.24 0.40 0.00 0.00 0.00 178.15 178.62 2yyh h ILE 131 N 0.42 1.27 -0.41 -0.67 2.04 -0.97 -1.98 117.51 117.20 2yyh h ILE 131 Ca 0.10 -1.29 -0.11 0.00 1.00 0.00 0.00 64.86 64.57 2yyh h ILE 131 Cb 0.39 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 2yyh h ILE 131 CO 0.01 0.42 -0.18 -0.07 0.00 0.00 0.00 178.15 178.33 2yyh h LEU 132 N 0.52 0.78 -0.84 1.44 3.38 -0.98 -0.25 115.31 119.36 2yyh h LEU 132 Ca 0.08 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 2yyh h LEU 132 Cb 0.69 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 2yyh h LEU 132 CO 0.05 0.95 0.51 0.44 0.09 0.00 0.00 178.44 180.48 2yyh h ASP 133 N 0.69 1.01 0.27 -0.43 3.32 -0.94 -0.12 116.42 120.22 2yyh h ASP 133 Ca 0.10 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 2yyh h ASP 133 Cb 0.68 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.97 2yyh h ASP 133 CO 0.05 0.78 -0.13 0.15 -1.72 0.00 0.00 179.24 178.37 2yyh h PHE 134 N 1.15 -0.33 -0.53 4.55 3.57 -0.90 0.19 116.94 124.65 2yyh h PHE 134 Ca 0.30 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.81 2yyh h PHE 134 Cb -0.04 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 2yyh h PHE 134 CO -0.00 -0.13 0.35 -0.07 -2.23 0.00 0.00 178.31 176.23 2yyh h LEU 135 N -0.47 0.57 -0.42 0.59 3.38 -0.79 -1.58 115.31 116.60 2yyh h LEU 135 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2yyh h LEU 135 Cb 0.35 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2yyh h LEU 135 CO 0.06 0.41 -0.11 0.29 0.09 0.00 0.00 178.44 179.17 2yyh n LYS 136 N -4.46 0.94 -1.90 1.13 5.02 -0.08 -4.92 118.16 113.88 2yyh n LYS 136 Ca 0.05 -0.42 -0.13 0.00 -2.02 0.00 0.00 58.31 55.79 2yyh n LYS 136 Cb 0.08 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.57 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 1.25 0.47 2.81 0.72 0.00 -0.48 -4.91 105.19 105.04 2yyh n GLY 137 Ca 0.16 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 2yyh n GLY 137 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2yyh n ASN 138 N -0.39 4.42 0.00 1.61 5.15 0.54 -5.02 115.26 121.56 2yyh n ASN 138 Ca -0.15 -2.96 0.00 0.00 -0.60 0.00 0.00 54.58 50.87 2yyh n ASN 138 Cb 0.55 -1.58 0.00 0.00 -0.53 0.00 0.00 39.78 38.21 2yyh n ASN 138 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66