#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dyy s LYS 2 N 0.00 2.39 -0.13 2.12 2.20 -1.26 -2.21 119.74 122.86 2dyy s LYS 2 Ca 0.00 -2.31 -0.06 0.00 -0.36 0.00 0.00 55.97 53.24 2dyy s LYS 2 Cb 0.00 -3.69 -0.04 0.00 -1.51 0.00 0.00 37.83 32.59 2dyy s LYS 2 CO 0.00 -1.14 0.08 -1.21 -0.36 0.00 0.00 175.35 172.71 2dyy s GLU 3 N 0.31 3.49 -0.34 4.03 8.01 -0.38 -4.93 118.70 128.88 2dyy s GLU 3 Ca 0.14 -0.27 -0.13 0.00 0.01 0.00 0.00 54.97 54.71 2dyy s GLU 3 Cb -0.21 -3.09 -0.01 0.00 -4.31 0.00 0.00 34.13 26.50 2dyy s GLU 3 CO -0.04 0.59 0.27 0.54 0.01 0.00 0.00 175.26 176.64 2dyy s VAL 4 N -0.53 5.26 0.21 2.63 0.11 -1.26 0.41 120.40 127.22 2dyy s VAL 4 Ca 0.11 -0.18 -0.24 0.00 -2.93 0.00 0.00 61.98 58.74 2dyy s VAL 4 Cb -0.12 -3.75 -0.08 0.00 -1.53 0.00 0.00 36.38 30.90 2dyy s VAL 4 CO 0.02 -0.05 0.78 -0.63 -3.33 0.00 0.00 175.10 171.90 2dyy s ILE 5 N 1.79 4.41 -0.20 7.04 1.09 0.20 -5.00 121.20 130.53 2dyy s ILE 5 Ca 0.07 1.59 -0.05 0.00 -1.10 0.00 0.00 60.65 61.17 2dyy s ILE 5 Cb -0.17 -4.03 0.10 0.00 -1.06 0.00 0.00 42.46 37.29 2dyy s ILE 5 CO 0.11 0.37 0.34 0.12 -0.10 0.00 0.00 174.94 175.78 2dyy s PHE 6 N -1.33 -0.65 0.06 3.97 5.36 -1.26 -3.84 117.98 120.28 2dyy s PHE 6 Ca 0.40 0.99 0.07 0.00 -0.96 0.00 0.00 56.93 57.43 2dyy s PHE 6 Cb -0.20 0.04 -0.03 0.00 -0.34 0.00 0.00 43.02 42.49 2dyy s PHE 6 CO 0.24 -0.55 -0.21 -0.08 -1.46 0.00 0.00 175.22 173.17 2dyy s THR 7 N 2.51 1.68 -0.21 0.12 -1.32 -1.26 -5.02 115.64 112.14 2dyy s THR 7 Ca 0.05 -1.27 0.29 0.00 -1.21 0.00 0.00 61.69 59.54 2dyy s THR 7 Cb -0.14 -1.47 0.35 0.00 -1.51 0.00 0.00 72.50 69.73 2dyy s THR 7 CO -0.13 0.15 1.82 -0.08 -2.21 0.00 0.00 174.62 174.17 2dyy h GLU 8 N 4.70 0.00 -0.15 7.08 4.57 -1.99 -3.21 114.58 125.58 2dyy h GLU 8 Ca -0.43 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 2dyy h GLU 8 Cb 1.16 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 2dyy h GLU 8 CO 0.43 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 178.35 2dyy n ASN 9 N -2.92 0.15 -3.71 1.04 3.02 -1.26 -4.72 115.26 106.86 2dyy n ASN 9 Ca 0.02 -1.34 -0.13 0.00 -0.03 0.00 0.00 54.58 53.11 2dyy n ASN 9 Cb 0.38 -0.08 -0.07 0.00 -0.61 0.00 0.00 39.78 39.40 2dyy n ASN 9 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dyy s ALA 10 N -1.77 -0.91 0.09 5.41 0.00 -1.21 -4.75 121.76 118.62 2dyy s ALA 10 Ca 0.00 0.30 -0.34 0.00 0.00 0.00 0.00 51.96 51.91 2dyy s ALA 10 Cb 0.00 0.24 -0.19 0.00 0.00 0.00 0.00 23.12 23.18 2dyy s ALA 10 CO 0.00 -0.38 0.81 -2.30 0.00 0.00 0.00 175.76 173.88 2dyy n PRO 11 N 0.77 0.00 -2.53 0.00 -0.02 -1.26 -4.88 135.00 127.08 2dyy n PRO 11 Ca -0.19 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.86 2dyy n PRO 11 Cb 0.58 -1.26 -0.03 0.00 -0.02 0.00 0.00 33.50 32.78 2dyy n PRO 11 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2dyy s LYS 12 N -0.47 4.42 0.43 -0.52 2.47 -1.26 -4.95 119.74 119.86 2dyy s LYS 12 Ca 0.78 1.61 -0.24 0.00 -1.56 0.00 0.00 55.97 56.56 2dyy s LYS 12 Cb -1.10 -3.48 -0.08 0.00 -1.46 0.00 0.00 37.83 31.70 2dyy s LYS 12 CO 0.56 -0.31 1.15 -1.25 0.16 0.00 0.00 175.35 175.66 2dyy s PRO 13 N 1.67 3.95 -0.31 4.03 0.04 -1.26 -5.01 135.00 138.11 2dyy s PRO 13 Ca 0.55 1.75 -0.09 0.00 0.04 0.00 0.00 61.00 63.25 2dyy s PRO 13 Cb -0.24 -2.54 -0.01 0.00 0.04 0.00 0.00 34.50 31.76 2dyy s PRO 13 CO 0.24 -0.39 0.14 0.96 0.04 0.00 0.00 177.00 177.99 2dyy s ILE 14 N -1.51 4.49 0.00 0.56 -5.25 -1.26 -4.96 121.20 113.27 2dyy s ILE 14 Ca 0.60 -0.46 0.00 0.00 -0.99 0.00 0.00 60.65 59.80 2dyy s ILE 14 Cb -0.28 -3.29 0.00 0.00 2.95 0.00 0.00 42.46 41.84 2dyy s ILE 14 CO 0.35 0.08 0.00 0.61 -1.79 0.00 0.00 174.94 174.19 2dyy n GLY 15 N 4.96 -0.81 2.40 6.27 0.00 -1.26 -4.71 105.19 112.05 2dyy n GLY 15 Ca -0.14 -2.14 -0.30 0.00 0.00 0.00 0.00 46.02 43.45 2dyy n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dyy n PRO 16 N 0.00 3.09 -4.15 1.61 -0.04 -1.26 -4.91 135.00 129.34 2dyy n PRO 16 Ca 0.00 -2.47 -0.11 0.00 -0.04 0.00 0.00 63.50 60.88 2dyy n PRO 16 Cb 0.00 -2.31 -0.10 0.00 -0.04 0.00 0.00 33.50 31.04 2dyy n PRO 16 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2dyy s TYR 17 N -0.89 0.82 0.31 0.54 1.51 -1.26 -5.16 117.35 113.22 2dyy s TYR 17 Ca 0.59 -0.87 0.10 0.00 -1.01 0.00 0.00 57.07 55.88 2dyy s TYR 17 Cb 0.30 -0.49 -0.05 0.00 -0.11 0.00 0.00 41.96 41.61 2dyy s TYR 17 CO -0.14 -0.16 -0.04 -1.12 -1.11 0.00 0.00 175.55 172.97 2dyy s SER 18 N -2.82 4.10 0.16 2.29 0.01 -1.26 -4.80 113.70 111.38 2dyy s SER 18 Ca 0.08 -0.95 -0.06 0.00 1.31 0.00 0.00 55.95 56.34 2dyy s SER 18 Cb 0.03 -0.53 -0.00 0.00 0.21 0.00 0.00 66.02 65.73 2dyy s SER 18 CO -0.05 -0.14 1.41 1.56 0.41 0.00 0.00 173.24 176.44 2dyy h GLN 19 N 1.93 0.58 -2.18 12.44 4.20 -1.93 -3.41 115.11 126.74 2dyy h GLN 19 Ca -0.42 -0.44 0.04 0.00 0.06 0.00 0.00 58.65 57.89 2dyy h GLN 19 Cb 1.25 0.08 -0.17 0.00 0.30 0.00 0.00 27.48 28.94 2dyy h GLN 19 CO 0.64 1.06 0.39 0.00 -0.67 0.00 0.00 178.83 180.26 2dyy s ALA 20 N -3.77 -1.80 -0.06 3.87 0.00 -1.25 -0.57 121.76 118.19 2dyy s ALA 20 Ca -0.08 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.00 2dyy s ALA 20 Cb 0.10 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.39 2dyy s ALA 20 CO 0.86 -0.55 -0.03 0.42 0.00 0.00 0.00 175.76 176.47 2dyy s ILE 21 N -2.36 0.50 -0.37 0.00 1.01 -0.87 -0.63 121.20 118.48 2dyy s ILE 21 Ca -0.01 -0.04 -0.16 0.00 0.00 0.00 0.00 60.65 60.44 2dyy s ILE 21 Cb -0.01 -0.58 -0.00 0.00 0.01 0.00 0.00 42.46 41.88 2dyy s ILE 21 CO -0.03 0.25 0.39 -0.75 0.00 0.00 0.00 174.94 174.79 2dyy s LYS 22 N 1.36 3.42 -0.32 2.79 2.20 0.17 -1.39 119.74 127.97 2dyy s LYS 22 Ca -0.04 -0.51 -0.01 0.00 -0.36 0.00 0.00 55.97 55.05 2dyy s LYS 22 Cb -0.13 -3.85 0.07 0.00 -1.51 0.00 0.00 37.83 32.40 2dyy s LYS 22 CO -0.02 -0.63 0.03 0.00 -0.36 0.00 0.00 175.35 174.37 2dyy s ALA 23 N 2.06 2.86 0.00 3.13 0.00 -0.21 -1.25 121.76 128.35 2dyy s ALA 23 Ca 0.12 -2.00 0.00 0.00 0.00 0.00 0.00 51.96 50.08 2dyy s ALA 23 Cb -0.17 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 20.97 2dyy s ALA 23 CO 0.12 -1.41 0.00 0.41 0.00 0.00 0.00 175.76 174.88 2dyy n GLY 24 N 4.55 2.44 0.48 0.00 0.00 -0.94 -1.78 105.19 109.94 2dyy n GLY 24 Ca -0.09 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 45.73 2dyy n GLY 24 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2dyy n ASN 25 N 5.32 1.59 -4.88 1.61 3.02 -1.26 -4.82 115.26 115.84 2dyy n ASN 25 Ca 0.00 -1.41 -0.35 0.00 -0.03 0.00 0.00 54.58 52.79 2dyy n ASN 25 Cb 0.00 0.06 -0.05 0.00 -0.61 0.00 0.00 39.78 39.17 2dyy n ASN 25 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2dyy s PHE 26 N -2.15 3.60 -0.18 3.10 0.08 -0.73 -1.91 117.98 119.78 2dyy s PHE 26 Ca 0.32 0.65 0.01 0.00 0.12 0.00 0.00 56.93 58.04 2dyy s PHE 26 Cb 0.20 -2.05 0.02 0.00 -0.57 0.00 0.00 43.02 40.63 2dyy s PHE 26 CO 0.39 0.62 -0.18 -1.17 -0.10 0.00 0.00 175.22 174.77 2dyy s LEU 27 N -1.62 2.15 -0.47 -0.37 2.96 0.22 -1.04 118.68 120.51 2dyy s LEU 27 Ca 0.26 -0.68 -0.13 0.00 -0.22 0.00 0.00 54.13 53.37 2dyy s LEU 27 Cb -0.14 -1.44 0.09 0.00 0.50 0.00 0.00 46.19 45.21 2dyy s LEU 27 CO 0.15 -0.02 0.37 -0.36 -1.32 0.00 0.00 176.35 175.16 2dyy s PHE 28 N 1.31 3.30 -0.02 5.38 0.08 -0.48 -0.16 117.98 127.39 2dyy s PHE 28 Ca 0.04 -1.32 -0.22 0.00 0.12 0.00 0.00 56.93 55.55 2dyy s PHE 28 Cb -0.13 -3.27 -0.05 0.00 -0.57 0.00 0.00 43.02 39.00 2dyy s PHE 28 CO -0.12 -0.88 0.66 0.42 -0.10 0.00 0.00 175.22 175.20 2dyy s ILE 29 N 1.53 4.92 0.88 0.64 1.01 -0.39 -2.06 121.20 127.72 2dyy s ILE 29 Ca 0.04 1.39 -0.11 0.00 0.00 0.00 0.00 60.65 61.96 2dyy s ILE 29 Cb -0.25 -4.00 0.12 0.00 0.01 0.00 0.00 42.46 38.33 2dyy s ILE 29 CO 0.03 0.35 1.09 0.00 0.00 0.00 0.00 174.94 176.42 2dyy s ALA 30 N 0.19 1.62 0.09 9.38 0.00 0.27 -3.53 121.76 129.77 2dyy s ALA 30 Ca 0.35 0.06 -0.31 0.00 0.00 0.00 0.00 51.96 52.06 2dyy s ALA 30 Cb -0.18 -3.23 -0.10 0.00 0.00 0.00 0.00 23.12 19.61 2dyy s ALA 30 CO 0.19 -2.31 1.85 0.20 0.00 0.00 0.00 175.76 175.69 2dyy s GLY 31 N -3.32 1.38 -0.14 0.00 0.00 -1.26 -4.63 107.32 99.35 2dyy s GLY 31 Ca 0.63 1.39 -0.08 0.00 0.00 0.00 0.00 44.72 46.66 2dyy s GLY 31 CO 0.57 3.22 0.16 1.20 0.00 0.00 0.00 173.10 178.24 2dyy s GLN 32 N 3.21 3.70 0.27 2.90 -1.52 0.59 -4.87 119.66 123.94 2dyy s GLN 32 Ca 0.82 -0.12 0.09 0.00 -1.95 0.00 0.00 55.36 54.21 2dyy s GLN 32 Cb -0.45 -3.26 -0.04 0.00 -0.22 0.00 0.00 33.01 29.04 2dyy s GLN 32 CO 0.37 0.62 0.00 0.96 -0.25 0.00 0.00 175.29 177.00 2dyy s ILE 33 N -0.59 3.46 -0.44 1.08 -4.36 -1.26 -1.92 121.20 117.16 2dyy s ILE 33 Ca 0.13 -1.90 -0.29 0.00 -0.26 0.00 0.00 60.65 58.34 2dyy s ILE 33 Cb -0.12 -2.86 -0.31 0.00 1.25 0.00 0.00 42.46 40.42 2dyy s ILE 33 CO 0.03 -0.37 1.80 -0.81 0.24 0.00 0.00 174.94 175.82 2dyy n PRO 34 N -0.91 0.17 -4.78 0.37 -0.04 -1.26 -4.54 135.00 124.01 2dyy n PRO 34 Ca -0.06 -1.33 -0.26 0.00 -0.04 0.00 0.00 63.50 61.80 2dyy n PRO 34 Cb 0.59 -3.05 -0.16 0.00 -0.04 0.00 0.00 33.50 30.84 2dyy n PRO 34 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2dyy s ILE 35 N 10.51 1.38 -0.21 0.52 1.01 -1.26 -2.51 121.20 130.63 2dyy s ILE 35 Ca 0.73 -0.66 -0.20 0.00 0.00 0.00 0.00 60.65 60.51 2dyy s ILE 35 Cb 0.08 -1.21 -0.02 0.00 0.01 0.00 0.00 42.46 41.31 2dyy s ILE 35 CO 0.28 0.40 0.62 -0.62 0.00 0.00 0.00 174.94 175.62 2dyy s ASP 36 N 0.29 6.64 0.62 3.58 3.68 -1.19 -4.68 116.67 125.61 2dyy s ASP 36 Ca -0.09 0.78 0.32 0.00 2.13 0.00 0.00 52.55 55.68 2dyy s ASP 36 Cb -0.14 -2.34 1.72 0.00 -1.45 0.00 0.00 42.92 40.72 2dyy s ASP 36 CO 0.03 -0.29 1.96 1.55 0.13 0.00 0.00 175.17 178.56 2dyy h PRO 37 N 7.59 0.00 -2.06 4.34 0.13 -1.90 -1.72 132.00 138.38 2dyy h PRO 37 Ca -0.30 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.10 2dyy h PRO 37 Cb 1.14 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.95 2dyy h PRO 37 CO 0.77 0.00 0.46 1.63 -0.23 0.00 0.00 178.00 180.63 2dyy n LYS 38 N -2.84 3.90 0.00 0.86 5.02 -1.26 -4.42 118.16 119.43 2dyy n LYS 38 Ca -0.02 -4.33 0.00 0.00 -2.02 0.00 0.00 58.31 51.94 2dyy n LYS 38 Cb 0.29 -2.33 0.00 0.00 -0.02 0.00 0.00 35.03 32.97 2dyy n LYS 38 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2dyy n THR 39 N -0.31 0.00 -3.58 -0.18 5.66 -0.98 -4.99 114.28 109.89 2dyy n THR 39 Ca 0.45 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 61.22 2dyy n THR 39 Cb 0.34 0.00 0.08 0.00 -1.55 0.00 0.00 70.33 69.20 2dyy n THR 39 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2dyy n GLY 40 N 0.00 -0.53 3.04 1.09 0.00 -0.68 -5.00 105.19 103.11 2dyy n GLY 40 Ca 0.00 0.24 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 2dyy n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dyy s GLU 41 N -6.22 0.39 0.55 1.61 2.56 -1.26 -5.00 118.70 111.34 2dyy s GLU 41 Ca 0.53 -0.51 -0.19 0.00 0.00 0.00 0.00 54.97 54.80 2dyy s GLU 41 Cb -0.23 0.15 -0.05 0.00 2.00 0.00 0.00 34.13 36.00 2dyy s GLU 41 CO 0.73 -0.08 1.13 0.96 -0.56 0.00 0.00 175.26 177.44 2dyy s ILE 42 N -1.43 3.16 -1.14 -3.70 -4.36 -1.25 -3.19 121.20 109.29 2dyy s ILE 42 Ca -0.15 0.71 -0.12 0.00 -0.26 0.00 0.00 60.65 60.82 2dyy s ILE 42 Cb -0.09 -3.27 0.21 0.00 1.25 0.00 0.00 42.46 40.56 2dyy s ILE 42 CO 0.00 -0.17 1.27 0.68 0.24 0.00 0.00 174.94 176.96 2dyy s VAL 43 N -1.82 5.41 0.05 8.37 -7.23 -1.04 -4.97 120.40 119.17 2dyy s VAL 43 Ca 0.72 -2.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.01 2dyy s VAL 43 Cb -0.24 -4.77 0.00 0.00 0.56 0.00 0.00 36.38 31.93 2dyy s VAL 43 CO 0.28 -1.43 0.00 2.29 -0.31 0.00 0.00 175.10 175.93 2dyy n LYS 44 N 4.51 -0.40 -0.91 4.82 -0.00 -1.26 -4.20 118.16 120.73 2dyy n LYS 44 Ca 0.30 0.26 -0.09 0.00 -0.00 0.00 0.00 58.31 58.79 2dyy n LYS 44 Cb 0.42 -0.49 0.21 0.00 -0.00 0.00 0.00 35.03 35.17 2dyy n LYS 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2dyy n GLY 45 N -0.60 4.64 3.70 2.58 0.00 -1.26 -4.89 105.19 109.35 2dyy n GLY 45 Ca 0.00 -1.16 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 2dyy n GLY 45 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dyy s ASP 46 N -2.05 6.34 0.53 1.61 2.15 -1.26 -4.98 116.67 119.01 2dyy s ASP 46 Ca 0.49 0.39 0.31 0.00 0.43 0.00 0.00 52.55 54.16 2dyy s ASP 46 Cb 0.42 -2.17 1.46 0.00 -0.30 0.00 0.00 42.92 42.33 2dyy s ASP 46 CO 0.04 0.05 2.04 -0.29 -0.17 0.00 0.00 175.17 176.84 2dyy h ILE 47 N 4.86 0.32 0.10 4.11 6.09 -1.93 0.09 117.51 131.16 2dyy h ILE 47 Ca -0.39 -0.58 -0.28 0.00 -1.37 0.00 0.00 64.86 62.24 2dyy h ILE 47 Cb 1.16 1.43 -0.01 0.00 0.47 0.00 0.00 36.82 39.88 2dyy h ILE 47 CO 0.72 0.09 -1.37 0.50 -3.07 0.00 0.00 178.15 175.02 2dyy h LYS 48 N 0.00 0.22 -0.00 2.19 3.64 -1.94 -2.48 116.57 118.19 2dyy h LYS 48 Ca -0.00 -0.37 -0.16 0.00 -1.27 0.00 0.00 60.65 58.84 2dyy h LYS 48 Cb 0.43 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 2dyy h LYS 48 CO 0.01 1.11 -0.75 -0.44 -2.27 0.00 0.00 179.45 177.11 2dyy h ASP 49 N 0.06 0.04 0.00 4.20 3.45 -1.74 -2.69 116.42 119.74 2dyy h ASP 49 Ca -0.18 -0.03 -0.00 0.00 0.43 0.00 0.00 57.03 57.25 2dyy h ASP 49 Cb 1.97 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 40.73 2dyy h ASP 49 CO 0.17 0.78 -0.02 1.56 -1.57 0.00 0.00 179.24 180.16 2dyy h GLN 50 N 0.02 0.01 -0.94 3.56 4.20 -1.09 -3.04 115.11 117.83 2dyy h GLN 50 Ca -0.01 -0.01 0.15 0.00 0.06 0.00 0.00 58.65 58.84 2dyy h GLN 50 Cb 1.33 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 29.02 2dyy h GLN 50 CO 0.10 1.00 0.55 1.15 -0.67 0.00 0.00 178.83 180.96 2dyy h THR 51 N -0.98 0.79 -0.35 -0.54 2.02 -1.52 0.11 112.91 112.45 2dyy h THR 51 Ca -0.00 -0.27 -0.08 0.00 0.77 0.00 0.00 66.41 66.82 2dyy h THR 51 Cb 1.01 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 2dyy h THR 51 CO 0.00 0.14 -0.11 -0.09 0.37 0.00 0.00 175.52 175.84 2dyy h ARG 52 N 0.79 0.69 0.07 6.66 2.43 -1.59 -1.49 114.38 121.93 2dyy h ARG 52 Ca 0.50 -0.27 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 2dyy h ARG 52 Cb 0.65 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 2dyy h ARG 52 CO -0.33 0.86 -0.03 0.37 -1.51 0.00 0.00 179.97 179.33 2dyy h GLN 53 N 0.47 -0.09 -0.63 0.20 5.75 -1.17 -0.09 115.11 119.56 2dyy h GLN 53 Ca 0.08 0.01 0.09 0.00 -0.15 0.00 0.00 58.65 58.68 2dyy h GLN 53 Cb 0.62 0.02 -0.07 0.00 1.07 0.00 0.00 27.48 29.12 2dyy h GLN 53 CO 0.04 0.08 0.27 0.28 -2.65 0.00 0.00 178.83 176.84 2dyy h VAL 54 N -0.24 0.81 -0.00 2.39 2.07 -0.78 -0.00 116.25 120.49 2dyy h VAL 54 Ca -0.01 -0.16 -0.13 0.00 0.82 0.00 0.00 66.70 67.22 2dyy h VAL 54 Cb 0.20 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 2dyy h VAL 54 CO 0.02 0.09 -0.61 -0.07 0.02 0.00 0.00 177.57 177.01 2dyy h LEU 55 N 0.47 0.02 -0.35 2.57 4.07 -1.16 -2.50 115.31 118.42 2dyy h LEU 55 Ca 0.31 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.24 2dyy h LEU 55 Cb 0.36 -0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.08 2dyy h LEU 55 CO -0.28 0.62 0.13 -0.08 -1.08 0.00 0.00 178.44 177.75 2dyy h GLU 56 N 0.01 0.54 -0.88 1.13 4.57 0.25 -0.49 114.58 119.71 2dyy h GLU 56 Ca -0.01 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.07 2dyy h GLU 56 Cb 1.09 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.55 2dyy h GLU 56 CO 0.08 0.54 0.55 -0.91 -1.18 0.00 0.00 179.01 178.09 2dyy h ASN 57 N 0.42 1.03 -0.54 1.04 2.35 -0.91 -2.14 115.58 116.84 2dyy h ASN 57 Ca 0.12 -0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.72 2dyy h ASN 57 Cb 0.22 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 2dyy h ASN 57 CO -0.01 0.78 -0.04 0.40 -1.65 0.00 0.00 177.43 176.91 2dyy h ILE 58 N 1.20 1.27 -0.05 2.81 2.04 -0.99 -2.24 117.51 121.55 2dyy h ILE 58 Ca 0.32 -1.17 0.01 0.00 1.00 0.00 0.00 64.86 65.02 2dyy h ILE 58 Cb -0.08 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2dyy h ILE 58 CO -0.06 0.42 -0.02 0.50 0.00 0.00 0.00 178.15 178.98 2dyy h LYS 59 N 0.86 -0.01 -0.26 2.37 3.64 -0.64 -1.38 116.57 121.16 2dyy h LYS 59 Ca 0.15 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.57 2dyy h LYS 59 Cb 0.59 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 2dyy h LYS 59 CO 0.04 -0.01 0.01 0.00 -2.27 0.00 0.00 179.45 177.22 2dyy h ALA 60 N 1.04 0.24 -0.80 5.00 0.00 -1.32 -1.20 119.26 122.21 2dyy h ALA 60 Ca 0.03 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.03 2dyy h ALA 60 Cb 0.05 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 2dyy h ALA 60 CO -0.06 -0.40 0.52 0.82 0.00 0.00 0.00 179.25 180.13 2dyy h ILE 61 N 0.10 1.14 -0.05 0.00 2.04 -1.22 -0.92 117.51 118.61 2dyy h ILE 61 Ca 0.12 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.63 2dyy h ILE 61 Cb 0.15 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.26 2dyy h ILE 61 CO -0.19 0.19 0.03 -0.07 0.00 0.00 0.00 178.15 178.10 2dyy h LEU 62 N 1.02 0.05 -0.32 1.44 3.38 -0.74 -1.04 115.31 119.10 2dyy h LEU 62 Ca 0.31 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.31 2dyy h LEU 62 Cb -0.02 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2dyy h LEU 62 CO -0.10 0.04 0.13 -0.33 0.09 0.00 0.00 178.44 178.27 2dyy h GLU 63 N 0.06 0.28 -0.17 1.13 5.08 -0.88 0.24 114.58 120.32 2dyy h GLU 63 Ca 0.02 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2dyy h GLU 63 Cb -0.00 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2dyy h GLU 63 CO -0.01 0.18 0.12 0.00 -1.00 0.00 0.00 179.01 178.31 2dyy h ALA 64 N 1.19 2.10 0.00 3.43 0.00 -0.93 -0.70 119.26 124.34 2dyy h ALA 64 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2dyy h ALA 64 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2dyy h ALA 64 CO -0.12 -0.14 -0.32 0.00 0.00 0.00 0.00 179.25 178.67 2dyy n ALA 65 N -2.56 3.08 -0.34 0.00 0.00 -0.42 -4.94 120.51 115.34 2dyy n ALA 65 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2dyy n ALA 65 Cb 0.22 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.42 2dyy n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dyy n GLY 66 N 1.49 0.82 3.83 0.00 0.00 -0.27 -5.07 105.19 105.99 2dyy n GLY 66 Ca 0.06 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2dyy n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dyy s TYR 67 N -2.00 2.81 0.40 1.61 2.02 -0.06 -4.99 117.35 117.13 2dyy s TYR 67 Ca 0.00 -0.37 0.08 0.00 -0.37 0.00 0.00 57.07 56.41 2dyy s TYR 67 Cb 0.00 -1.84 -0.05 0.00 -0.40 0.00 0.00 41.96 39.67 2dyy s TYR 67 CO 0.00 0.16 0.18 -1.54 -1.57 0.00 0.00 175.55 172.78 2dyy s SER 68 N -3.98 4.49 0.49 2.29 1.04 -1.26 -3.49 113.70 113.27 2dyy s SER 68 Ca 0.42 -1.00 0.17 0.00 0.48 0.00 0.00 55.95 56.01 2dyy s SER 68 Cb -0.04 -0.53 1.18 0.00 0.10 0.00 0.00 66.02 66.73 2dyy s SER 68 CO 0.26 -0.49 2.07 0.25 0.98 0.00 0.00 173.24 176.31 2dyy h LEU 69 N 1.44 0.00 -2.53 2.42 5.85 -1.94 -2.14 115.31 118.42 2dyy h LEU 69 Ca -0.43 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.17 2dyy h LEU 69 Cb 1.25 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.21 2dyy h LEU 69 CO 0.68 0.10 0.15 -0.46 -0.34 0.00 0.00 178.44 178.57 2dyy n ASN 70 N -4.34 3.22 -0.04 1.25 0.23 -1.26 -3.28 115.26 111.05 2dyy n ASN 70 Ca -0.03 -2.57 0.04 0.00 -0.53 0.00 0.00 54.58 51.49 2dyy n ASN 70 Cb 0.18 -0.62 -0.03 0.00 -2.08 0.00 0.00 39.78 37.22 2dyy n ASN 70 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2dyy n ASP 71 N 0.01 0.51 -4.69 0.53 10.43 -0.80 -4.97 116.55 117.57 2dyy n ASP 71 Ca 0.20 -0.76 -0.42 0.00 2.57 0.00 0.00 54.79 56.38 2dyy n ASP 71 Cb 0.85 0.88 -0.03 0.00 1.84 0.00 0.00 41.12 44.67 2dyy n ASP 71 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2dyy s VAL 72 N -1.59 3.39 -0.09 2.53 1.01 -1.21 -1.58 120.40 122.86 2dyy s VAL 72 Ca 0.04 0.85 0.11 0.00 0.00 0.00 0.00 61.98 62.99 2dyy s VAL 72 Cb 0.06 -3.55 -0.16 0.00 0.00 0.00 0.00 36.38 32.72 2dyy s VAL 72 CO 0.29 0.01 0.11 2.30 0.00 0.00 0.00 175.10 177.81 2dyy n ILE 73 N 4.53 0.60 -3.73 2.22 -5.35 -0.50 -4.47 119.36 112.66 2dyy n ILE 73 Ca 0.14 -0.46 -0.13 0.00 -0.27 0.00 0.00 62.75 62.03 2dyy n ILE 73 Cb 0.42 -0.43 -0.14 0.00 -1.74 0.00 0.00 39.64 37.75 2dyy n ILE 73 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2dyy s LYS 74 N -2.47 0.12 -0.02 6.28 2.20 -1.11 -0.81 119.74 123.93 2dyy s LYS 74 Ca -0.06 0.44 0.05 0.00 -0.36 0.00 0.00 55.97 56.05 2dyy s LYS 74 Cb 0.05 -0.17 -0.01 0.00 -1.51 0.00 0.00 37.83 36.19 2dyy s LYS 74 CO 0.51 -0.18 -0.17 0.08 -0.36 0.00 0.00 175.35 175.23 2dyy s VAL 75 N 1.32 1.36 -0.17 4.02 1.01 0.24 -1.13 120.40 127.06 2dyy s VAL 75 Ca -0.08 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.18 2dyy s VAL 75 Cb -0.11 -1.14 0.03 0.00 0.00 0.00 0.00 36.38 35.16 2dyy s VAL 75 CO -0.07 0.39 -0.14 -0.89 0.00 0.00 0.00 175.10 174.38 2dyy s THR 76 N -0.32 1.69 -0.22 3.92 2.01 -0.50 -1.38 115.64 120.85 2dyy s THR 76 Ca 0.05 -0.79 -0.09 0.00 0.31 0.00 0.00 61.69 61.17 2dyy s THR 76 Cb -0.07 -1.62 -0.05 0.00 0.01 0.00 0.00 72.50 70.77 2dyy s THR 76 CO -0.00 0.41 0.12 -0.69 -0.69 0.00 0.00 174.62 173.77 2dyy s VAL 77 N 1.42 5.16 -0.30 3.82 1.01 0.15 -2.34 120.40 129.32 2dyy s VAL 77 Ca 0.03 0.11 -0.07 0.00 0.00 0.00 0.00 61.98 62.05 2dyy s VAL 77 Cb -0.14 -3.38 0.01 0.00 0.00 0.00 0.00 36.38 32.88 2dyy s VAL 77 CO -0.11 0.40 0.08 -0.31 0.00 0.00 0.00 175.10 175.16 2dyy s TYR 78 N 0.76 3.16 -0.10 5.22 2.02 0.03 -1.90 117.35 126.54 2dyy s TYR 78 Ca 0.06 -1.08 -0.00 0.00 -0.37 0.00 0.00 57.07 55.68 2dyy s TYR 78 Cb -0.13 -2.25 -0.03 0.00 -0.40 0.00 0.00 41.96 39.16 2dyy s TYR 78 CO 0.02 -0.61 -0.08 -0.51 -1.57 0.00 0.00 175.55 172.80 2dyy s LEU 79 N 1.48 3.07 0.12 -1.29 1.43 -0.37 -1.36 118.68 121.75 2dyy s LEU 79 Ca 0.02 -0.12 0.16 0.00 -1.03 0.00 0.00 54.13 53.15 2dyy s LEU 79 Cb -0.18 -1.69 0.70 0.00 0.03 0.00 0.00 46.19 45.06 2dyy s LEU 79 CO 0.02 0.27 1.49 1.17 0.23 0.00 0.00 176.35 179.54 2dyy n LYS 80 N 2.83 0.08 0.00 1.70 4.81 -0.64 -0.36 118.16 126.58 2dyy n LYS 80 Ca -0.18 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 2dyy n LYS 80 Cb 0.53 -1.67 0.00 0.00 0.02 0.00 0.00 35.03 33.91 2dyy n LYS 80 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2dyy n ASN 83 N -1.82 0.00 -1.88 3.14 3.02 -1.26 -4.27 115.26 112.19 2dyy n ASN 83 Ca 0.02 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.53 2dyy n ASN 83 Cb 0.15 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.26 2dyy n ASN 83 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2dyy n ASP 84 N 0.00 3.89 -1.09 6.41 5.68 -1.26 -4.56 116.55 125.63 2dyy n ASP 84 Ca 0.00 -2.13 0.00 0.00 -0.50 0.00 0.00 54.79 52.16 2dyy n ASP 84 Cb 0.00 -0.94 0.00 0.00 -1.14 0.00 0.00 41.12 39.04 2dyy n ASP 84 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 2dyy n PHE 85 N 2.13 0.00 -0.03 2.11 3.72 -1.26 -3.37 117.46 120.76 2dyy n PHE 85 Ca 0.16 -0.33 -0.05 0.00 -0.05 0.00 0.00 57.45 57.17 2dyy n PHE 85 Cb 0.52 -0.22 -0.02 0.00 -0.94 0.00 0.00 39.48 38.83 2dyy n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dyy n ALA 86 N 0.83 1.88 0.63 4.37 0.00 -1.26 -4.17 120.51 122.78 2dyy n ALA 86 Ca 0.00 -0.45 0.11 0.00 0.00 0.00 0.00 53.44 53.11 2dyy n ALA 86 Cb 0.30 0.14 0.46 0.00 0.00 0.00 0.00 19.45 20.35 2dyy n ALA 86 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2dyy n LYS 87 N -3.99 0.11 0.07 0.00 5.02 -1.22 -2.56 118.16 115.60 2dyy n LYS 87 Ca -0.09 0.23 -0.18 0.00 -2.02 0.00 0.00 58.31 56.25 2dyy n LYS 87 Cb 0.30 -1.67 -0.14 0.00 -0.02 0.00 0.00 35.03 33.50 2dyy n LYS 87 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 2dyy h MET 88 N 0.00 0.28 0.00 1.97 4.05 -1.81 -3.32 114.93 116.10 2dyy h MET 88 Ca 0.00 -0.49 -0.07 0.00 -0.28 0.00 0.00 59.70 58.86 2dyy h MET 88 Cb 0.46 0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.43 2dyy h MET 88 CO 0.00 1.16 -0.33 -0.97 0.23 0.00 0.00 176.91 177.00 2dyy h ASN 89 N 0.08 0.00 -0.29 1.39 -0.73 -1.66 -2.65 115.58 111.71 2dyy h ASN 89 Ca -0.25 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 57.89 2dyy h ASN 89 Cb 2.03 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 40.61 2dyy h ASN 89 CO 0.17 0.33 0.06 -0.08 -0.37 0.00 0.00 177.43 177.55 2dyy h GLU 90 N 0.00 0.48 0.00 6.67 4.81 -1.61 -2.39 114.58 122.55 2dyy h GLU 90 Ca -0.00 -0.12 -0.09 0.00 -0.13 0.00 0.00 59.36 59.01 2dyy h GLU 90 Cb 0.90 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 2dyy h GLU 90 CO 0.04 0.57 -0.42 0.28 -0.73 0.00 0.00 179.01 178.75 2dyy h VAL 91 N 0.31 0.85 0.00 0.32 2.07 -1.68 -3.10 116.25 115.02 2dyy h VAL 91 Ca 0.09 -1.81 -0.03 0.00 0.82 0.00 0.00 66.70 65.77 2dyy h VAL 91 Cb 0.32 2.14 -0.00 0.00 -1.52 0.00 0.00 31.29 32.22 2dyy h VAL 91 CO 0.00 0.42 -0.15 0.22 0.02 0.00 0.00 177.57 178.08 2dyy h TYR 92 N 0.00 0.00 0.03 1.57 5.03 -1.08 -2.51 116.97 120.01 2dyy h TYR 92 Ca -0.00 0.00 -0.25 0.00 2.58 0.00 0.00 58.73 61.06 2dyy h TYR 92 Cb 1.10 0.00 0.01 0.00 1.55 0.00 0.00 36.73 39.39 2dyy h TYR 92 CO 0.00 0.15 -1.03 0.00 -1.32 0.00 0.00 178.16 175.96 2dyy h ALA 93 N 1.85 0.25 0.00 1.82 0.00 -1.36 -1.97 119.26 119.85 2dyy h ALA 93 Ca -0.00 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2dyy h ALA 93 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2dyy h ALA 93 CO 0.02 0.80 0.00 0.39 0.00 0.00 0.00 179.25 180.46 2dyy n GLU 94 N -3.74 0.03 0.00 0.00 1.02 -0.95 -0.14 120.64 116.86 2dyy n GLU 94 Ca -0.08 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 2dyy n GLU 94 Cb 0.88 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.80 2dyy n GLU 94 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2dyy n TYR 95 N -1.29 0.00 0.40 -0.32 4.02 -1.20 -4.85 117.16 113.92 2dyy n TYR 95 Ca 0.01 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.97 2dyy n TYR 95 Cb 0.02 0.05 0.09 0.00 -0.02 0.00 0.00 39.34 39.47 2dyy n TYR 95 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2dyy n PHE 96 N -2.30 0.13 -1.19 -0.72 3.72 -0.75 -4.73 117.46 111.62 2dyy n PHE 96 Ca 0.00 -0.11 -0.33 0.00 -0.05 0.00 0.00 57.45 56.96 2dyy n PHE 96 Cb 0.31 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.80 2dyy n PHE 96 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dyy n GLY 97 N 0.76 3.91 0.00 1.37 0.00 0.80 -2.05 105.19 109.99 2dyy n GLY 97 Ca 0.09 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.74 2dyy n GLY 97 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2dyy n GLU 98 N 3.50 0.00 -0.04 1.61 0.00 -1.26 -4.94 120.64 119.51 2dyy n GLU 98 Ca 0.69 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.84 2dyy n GLU 98 Cb 0.31 0.00 -0.14 0.00 0.00 0.00 0.00 31.44 31.61 2dyy n GLU 98 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2dyy n SER 99 N -0.52 0.23 -3.54 4.31 3.41 -1.16 -5.05 113.62 111.31 2dyy n SER 99 Ca 0.00 0.10 -0.38 0.00 -0.26 0.00 0.00 58.87 58.33 2dyy n SER 99 Cb 0.00 1.08 0.04 0.00 -0.26 0.00 0.00 64.21 65.07 2dyy n SER 99 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2dyy n LYS 100 N -2.64 -1.90 -2.35 4.33 5.02 -0.87 -4.98 118.16 114.77 2dyy n LYS 100 Ca -0.18 1.37 -0.25 0.00 -2.02 0.00 0.00 58.31 57.23 2dyy n LYS 100 Cb 0.90 -2.05 0.05 0.00 -0.02 0.00 0.00 35.03 33.91 2dyy n LYS 100 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2dyy s PRO 101 N -2.65 2.45 0.18 1.97 0.02 -1.26 -5.02 135.00 130.69 2dyy s PRO 101 Ca 0.36 -0.30 -0.31 0.00 0.02 0.00 0.00 61.00 60.77 2dyy s PRO 101 Cb -0.04 -2.26 -0.10 0.00 0.02 0.00 0.00 34.50 32.12 2dyy s PRO 101 CO 0.88 -0.99 1.52 0.00 -0.33 0.00 0.00 177.00 178.07 2dyy s ALA 102 N -3.08 3.72 0.07 -1.55 0.00 0.01 -4.82 121.76 116.11 2dyy s ALA 102 Ca 0.58 1.33 0.09 0.00 0.00 0.00 0.00 51.96 53.96 2dyy s ALA 102 Cb -0.11 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 2dyy s ALA 102 CO 0.43 -0.75 -0.25 0.50 0.00 0.00 0.00 175.76 175.69 2dyy s ARG 103 N 0.73 1.56 -0.06 0.00 3.52 -1.26 -0.59 118.95 122.84 2dyy s ARG 103 Ca 0.67 -1.15 -0.01 0.00 -0.13 0.00 0.00 55.73 55.10 2dyy s ARG 103 Cb -0.43 -1.82 0.03 0.00 -1.56 0.00 0.00 34.95 31.17 2dyy s ARG 103 CO 0.34 0.45 0.01 0.08 -0.81 0.00 0.00 175.30 175.38 2dyy s VAL 104 N -0.90 0.28 -0.05 7.11 1.01 -0.48 -4.98 120.40 122.39 2dyy s VAL 104 Ca 0.11 0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.29 2dyy s VAL 104 Cb -0.10 -0.46 0.02 0.00 0.00 0.00 0.00 36.38 35.84 2dyy s VAL 104 CO 0.03 0.24 -0.08 0.00 0.00 0.00 0.00 175.10 175.30 2dyy s ALA 105 N 2.01 0.89 0.10 5.51 0.00 -1.26 0.33 121.76 129.33 2dyy s ALA 105 Ca 0.05 -0.22 -0.11 0.00 0.00 0.00 0.00 51.96 51.68 2dyy s ALA 105 Cb -0.12 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.57 2dyy s ALA 105 CO -0.05 0.06 0.26 0.54 0.00 0.00 0.00 175.76 176.57 2dyy s VAL 106 N 0.68 0.12 -0.05 0.00 0.11 -0.80 -4.98 120.40 115.48 2dyy s VAL 106 Ca -0.11 -0.98 -0.05 0.00 -2.93 0.00 0.00 61.98 57.91 2dyy s VAL 106 Cb -0.14 -1.28 -0.04 0.00 -1.53 0.00 0.00 36.38 33.39 2dyy s VAL 106 CO 0.01 -0.54 0.17 -0.70 -3.33 0.00 0.00 175.10 170.71 2dyy s GLU 107 N -3.82 3.45 0.28 1.54 2.12 -1.26 -1.24 118.70 119.78 2dyy s GLU 107 Ca 0.04 -0.23 0.04 0.00 0.36 0.00 0.00 54.97 55.18 2dyy s GLU 107 Cb 0.04 -3.13 -0.06 0.00 0.26 0.00 0.00 34.13 31.24 2dyy s GLU 107 CO -0.11 0.72 0.03 0.14 -0.54 0.00 0.00 175.26 175.50 2dyy s VAL 108 N -1.21 1.11 0.14 3.70 -7.23 0.52 -4.91 120.40 112.52 2dyy s VAL 108 Ca 0.22 -2.02 -0.15 0.00 -1.81 0.00 0.00 61.98 58.22 2dyy s VAL 108 Cb -0.12 -2.61 0.01 0.00 0.56 0.00 0.00 36.38 34.22 2dyy s VAL 108 CO 0.13 -0.13 1.67 0.28 -0.31 0.00 0.00 175.10 176.74 2dyy h SER 109 N 2.27 0.64 -4.73 4.85 0.02 -1.88 -3.40 113.55 111.32 2dyy h SER 109 Ca -0.40 -0.19 0.04 0.00 -0.84 0.00 0.00 61.79 60.40 2dyy h SER 109 Cb 1.24 -0.17 -0.16 0.00 0.14 0.00 0.00 62.40 63.45 2dyy h SER 109 CO 0.67 0.66 0.37 -0.60 -1.14 0.00 0.00 176.83 176.79 2dyy s ARG 110 N -5.45 0.96 0.36 3.45 3.52 -1.26 -5.02 118.95 115.51 2dyy s ARG 110 Ca -0.13 -0.21 0.06 0.00 -0.13 0.00 0.00 55.73 55.32 2dyy s ARG 110 Cb 0.11 0.45 -0.07 0.00 -1.56 0.00 0.00 34.95 33.87 2dyy s ARG 110 CO 0.77 -0.39 0.01 -0.51 -0.81 0.00 0.00 175.30 174.37 2dyy s LEU 111 N -2.20 2.57 0.49 -0.88 1.43 -1.26 -5.05 118.68 113.78 2dyy s LEU 111 Ca 0.01 -1.33 -0.23 0.00 -1.03 0.00 0.00 54.13 51.54 2dyy s LEU 111 Cb -0.01 -0.69 -0.08 0.00 0.03 0.00 0.00 46.19 45.44 2dyy s LEU 111 CO -0.06 -0.47 1.14 -2.65 0.23 0.00 0.00 176.35 174.54 2dyy n PRO 112 N -0.80 1.48 -3.28 1.29 -0.02 -1.26 -1.77 135.00 130.63 2dyy n PRO 112 Ca -0.04 0.54 -0.22 0.00 -2.02 0.00 0.00 63.50 61.75 2dyy n PRO 112 Cb 0.66 -2.28 -0.00 0.00 -0.02 0.00 0.00 33.50 31.86 2dyy n PRO 112 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2dyy n LYS 113 N -0.39 -3.43 -3.96 -0.52 4.01 -1.26 -2.59 118.16 110.01 2dyy n LYS 113 Ca 0.10 0.51 -0.31 0.00 -0.51 0.00 0.00 58.31 58.09 2dyy n LYS 113 Cb 0.42 -5.22 -0.02 0.00 -0.51 0.00 0.00 35.03 29.70 2dyy n LYS 113 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2dyy n ASP 114 N -2.28 -1.53 -4.95 4.39 -0.08 -0.73 -4.94 116.55 106.43 2dyy n ASP 114 Ca -0.03 -1.00 -0.20 0.00 -1.51 0.00 0.00 54.79 52.06 2dyy n ASP 114 Cb 0.55 -1.21 0.04 0.00 2.34 0.00 0.00 41.12 42.85 2dyy n ASP 114 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2dyy s VAL 115 N -3.95 2.58 -0.21 5.18 -7.23 -1.07 -4.96 120.40 110.74 2dyy s VAL 115 Ca 0.22 -0.82 0.22 0.00 -1.81 0.00 0.00 61.98 59.79 2dyy s VAL 115 Cb -0.13 -2.76 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 2dyy s VAL 115 CO 0.75 0.00 0.97 0.18 -0.31 0.00 0.00 175.10 176.70 2dyy n LEU 116 N -2.25 0.77 -3.69 1.32 4.77 -1.26 -4.40 117.00 112.25 2dyy n LEU 116 Ca 0.11 0.30 -0.14 0.00 -0.03 0.00 0.00 56.01 56.25 2dyy n LEU 116 Cb 0.60 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.56 2dyy n LEU 116 CO 0.42 -0.15 0.20 -0.51 -1.33 0.00 0.00 177.39 176.02 2dyy s ILE 117 N -3.35 0.00 -0.01 -0.08 2.07 -1.26 -1.62 121.20 116.96 2dyy s ILE 117 Ca -0.01 -0.03 0.03 0.00 -1.41 0.00 0.00 60.65 59.23 2dyy s ILE 117 Cb 0.10 -0.73 -0.01 0.00 0.13 0.00 0.00 42.46 41.95 2dyy s ILE 117 CO 0.80 -0.02 -0.11 -0.70 -1.91 0.00 0.00 174.94 173.00 2dyy s GLU 118 N 0.08 0.93 -0.03 3.50 2.12 -0.46 -4.15 118.70 120.69 2dyy s GLU 118 Ca -0.02 -0.40 0.01 0.00 0.36 0.00 0.00 54.97 54.92 2dyy s GLU 118 Cb -0.03 -0.90 0.02 0.00 0.26 0.00 0.00 34.13 33.48 2dyy s GLU 118 CO 0.01 0.24 -0.03 0.42 -0.54 0.00 0.00 175.26 175.36 2dyy s ILE 119 N -0.24 0.38 0.07 -3.70 1.01 -0.81 -0.79 121.20 117.12 2dyy s ILE 119 Ca 0.04 -0.05 0.07 0.00 0.00 0.00 0.00 60.65 60.70 2dyy s ILE 119 Cb -0.05 -0.42 -0.04 0.00 0.01 0.00 0.00 42.46 41.97 2dyy s ILE 119 CO -0.00 0.18 -0.14 -1.83 0.00 0.00 0.00 174.94 173.14 2dyy s GLU 120 N 0.81 2.08 0.06 2.79 -1.05 -0.99 -0.30 118.70 122.11 2dyy s GLU 120 Ca -0.10 -1.01 -0.04 0.00 -0.15 0.00 0.00 54.97 53.68 2dyy s GLU 120 Cb -0.13 -2.25 -0.02 0.00 -0.44 0.00 0.00 34.13 31.29 2dyy s GLU 120 CO -0.01 0.53 0.05 0.00 0.95 0.00 0.00 175.26 176.78 2dyy s ALA 121 N -1.07 0.19 -0.03 -0.84 0.00 -1.23 -1.41 121.76 117.38 2dyy s ALA 121 Ca 0.18 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 51.25 2dyy s ALA 121 Cb -0.11 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.34 2dyy s ALA 121 CO 0.09 -0.40 -0.12 0.42 0.00 0.00 0.00 175.76 175.76 2dyy s ILE 122 N -3.62 1.01 0.24 0.00 1.01 -0.29 -1.27 121.20 118.29 2dyy s ILE 122 Ca 0.04 -0.49 0.08 0.00 0.00 0.00 0.00 60.65 60.29 2dyy s ILE 122 Cb 0.05 -0.89 -0.05 0.00 0.01 0.00 0.00 42.46 41.58 2dyy s ILE 122 CO -0.09 0.31 -0.14 0.00 0.00 0.00 0.00 174.94 175.01 2dyy s ALA 123 N 0.14 2.24 -0.11 9.38 0.00 0.77 -1.41 121.76 132.77 2dyy s ALA 123 Ca -0.03 -1.75 -0.09 0.00 0.00 0.00 0.00 51.96 50.08 2dyy s ALA 123 Cb -0.10 -0.07 0.03 0.00 0.00 0.00 0.00 23.12 22.98 2dyy s ALA 123 CO 0.01 0.09 0.28 -0.47 0.00 0.00 0.00 175.76 175.66 2dyy s TYR 124 N -2.88 -0.32 -0.05 0.00 5.04 -0.61 0.68 117.35 119.21 2dyy s TYR 124 Ca 0.25 0.77 0.00 0.00 -2.44 0.00 0.00 57.07 55.66 2dyy s TYR 124 Cb -0.01 0.10 0.02 0.00 0.35 0.00 0.00 41.96 42.43 2dyy s TYR 124 CO 0.09 -0.17 -0.02 0.21 -1.34 0.00 0.00 175.55 174.33 2dyy s LYS 125 N 0.37 0.68 0.00 4.97 2.20 -0.80 -4.76 119.74 122.40 2dyy s LYS 125 Ca -0.02 -0.00 0.07 0.00 -0.36 0.00 0.00 55.97 55.66 2dyy s LYS 125 Cb -0.03 -0.85 0.42 0.00 -1.51 0.00 0.00 37.83 35.86 2dyy s LYS 125 CO -0.02 -0.17 0.88 0.39 -0.36 0.00 0.00 175.35 176.07