#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8i n SER 2 N 0.00 -0.80 -4.58 1.61 2.88 -1.26 -4.81 113.62 106.66 2d8i n SER 2 Ca 0.00 0.55 -0.37 0.00 -1.33 0.00 0.00 58.87 57.72 2d8i n SER 2 Cb 0.00 -1.28 -0.02 0.00 -0.75 0.00 0.00 64.21 62.15 2d8i n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2d8i s SER 3 N -1.69 6.14 0.00 -3.46 0.15 -1.26 -4.72 113.70 108.86 2d8i s SER 3 Ca 0.66 -2.07 0.00 0.00 0.70 0.00 0.00 55.95 55.24 2d8i s SER 3 Cb -0.31 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.41 2d8i s SER 3 CO 0.58 -1.90 0.00 0.61 1.20 0.00 0.00 173.24 173.72 2d8i n GLY 4 N 5.67 1.74 3.49 9.45 0.00 -1.26 -5.10 105.19 119.18 2d8i n GLY 4 Ca 0.46 -0.06 -0.49 0.00 0.00 0.00 0.00 46.02 45.93 2d8i n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2d8i n SER 5 N 0.00 2.46 -3.56 1.61 2.88 -1.26 -4.88 113.62 110.88 2d8i n SER 5 Ca 0.00 0.38 -0.08 0.00 -1.33 0.00 0.00 58.87 57.84 2d8i n SER 5 Cb 0.00 -1.34 -0.03 0.00 -0.75 0.00 0.00 64.21 62.09 2d8i n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2d8i s SER 6 N 7.45 -0.30 0.00 -3.46 0.15 -1.26 -4.98 113.70 111.30 2d8i s SER 6 Ca 1.07 0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.87 2d8i s SER 6 Cb -0.72 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.88 2d8i s SER 6 CO 0.46 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 175.10 2d8i n GLY 7 N 0.19 -0.98 3.63 9.45 0.00 -1.26 -5.10 105.19 111.11 2d8i n GLY 7 Ca -0.07 0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 2d8i n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2d8i s GLU 8 N 0.00 3.80 0.11 1.61 0.41 -1.26 -4.98 118.70 118.39 2d8i s GLU 8 Ca 0.00 1.67 -0.24 0.00 -0.41 0.00 0.00 54.97 55.98 2d8i s GLU 8 Cb 0.00 -4.03 -0.07 0.00 -1.78 0.00 0.00 34.13 28.25 2d8i s GLU 8 CO 0.00 -1.29 0.74 0.42 -0.49 0.00 0.00 175.26 174.64 2d8i s ILE 9 N 5.19 4.54 0.23 -1.63 1.01 -1.26 -5.07 121.20 124.19 2d8i s ILE 9 Ca 0.71 1.61 0.10 0.00 0.00 0.00 0.00 60.65 63.07 2d8i s ILE 9 Cb -0.25 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 2d8i s ILE 9 CO 0.29 0.48 -0.12 -0.70 0.00 0.00 0.00 174.94 174.89 2d8i s GLU 10 N -0.79 1.95 0.22 2.79 2.56 -1.26 -5.03 118.70 119.14 2d8i s GLU 10 Ca 0.36 -1.46 -0.19 0.00 0.00 0.00 0.00 54.97 53.68 2d8i s GLU 10 Cb -0.22 -2.03 0.21 0.00 2.00 0.00 0.00 34.13 34.10 2d8i s GLU 10 CO 0.24 0.39 1.55 0.82 -0.56 0.00 0.00 175.26 177.70 2d8i h ILE 11 N 2.50 0.01 -4.32 -3.70 5.03 -2.05 -3.39 117.51 111.59 2d8i h ILE 11 Ca -0.45 0.00 -0.59 0.00 -0.12 0.00 0.00 64.86 63.70 2d8i h ILE 11 Cb 1.23 0.01 -0.28 0.00 -3.03 0.00 0.00 36.82 34.75 2d8i h ILE 11 CO 0.56 0.00 -0.85 0.00 -0.68 0.00 0.00 178.15 177.18 2d8i n PRO 13 N 2.28 -0.52 -0.48 0.00 -0.04 -1.26 -4.95 135.00 130.04 2d8i n PRO 13 Ca -0.16 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.09 2d8i n PRO 13 Cb 0.53 0.00 0.18 0.00 -0.04 0.00 0.00 33.50 34.17 2d8i n PRO 13 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2d8i n LYS 14 N -1.13 -2.71 -3.91 0.54 2.85 -1.26 -4.71 118.16 107.83 2d8i n LYS 14 Ca 0.00 -0.80 -0.10 0.00 -1.05 0.00 0.00 58.31 56.35 2d8i n LYS 14 Cb 0.00 -1.58 -0.11 0.00 -0.65 0.00 0.00 35.03 32.69 2d8i n LYS 14 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2d8i s VAL 15 N -2.10 0.08 -0.09 0.58 -7.23 0.62 -4.91 120.40 107.36 2d8i s VAL 15 Ca 0.44 -0.64 -0.13 0.00 -1.81 0.00 0.00 61.98 59.84 2d8i s VAL 15 Cb -0.08 -0.30 -0.05 0.00 0.56 0.00 0.00 36.38 36.51 2d8i s VAL 15 CO 0.41 -0.35 0.32 0.42 -0.31 0.00 0.00 175.10 175.59 2d8i s THR 16 N -1.12 5.23 -0.03 5.32 -4.23 -1.26 -2.13 115.64 117.41 2d8i s THR 16 Ca -0.12 0.63 0.06 0.00 -1.18 0.00 0.00 61.69 61.07 2d8i s THR 16 Cb -0.07 -3.63 -0.01 0.00 1.34 0.00 0.00 72.50 70.12 2d8i s THR 16 CO 0.00 0.50 -0.22 0.00 -0.54 0.00 0.00 174.62 174.37 2d8i s GLN 17 N -0.42 2.01 -0.39 3.99 -2.07 -1.07 -5.02 119.66 116.70 2d8i s GLN 17 Ca 0.20 -0.79 -0.12 0.00 -1.82 0.00 0.00 55.36 52.83 2d8i s GLN 17 Cb -0.14 -1.82 0.03 0.00 -1.09 0.00 0.00 33.01 29.99 2d8i s GLN 17 CO 0.08 0.40 0.23 -1.54 -1.32 0.00 0.00 175.29 173.14 2d8i s SER 18 N -0.30 5.81 -0.55 12.60 1.04 -1.26 -3.03 113.70 128.01 2d8i s SER 18 Ca 0.02 -1.03 -0.21 0.00 0.48 0.00 0.00 55.95 55.21 2d8i s SER 18 Cb -0.11 -2.05 0.07 0.00 0.10 0.00 0.00 66.02 64.03 2d8i s SER 18 CO 0.01 -0.42 0.75 -0.63 0.98 0.00 0.00 173.24 173.94 2d8i s ILE 19 N 1.57 4.68 -0.52 -1.02 1.09 -0.71 -4.98 121.20 121.31 2d8i s ILE 19 Ca 0.03 -0.41 -0.16 0.00 -1.10 0.00 0.00 60.65 59.00 2d8i s ILE 19 Cb -0.20 -4.44 0.11 0.00 -1.06 0.00 0.00 42.46 36.87 2d8i s ILE 19 CO 0.07 -1.03 0.48 -1.00 -0.10 0.00 0.00 174.94 173.37 2d8i s HIS 20 N 3.12 3.23 -0.13 3.97 3.76 -1.26 -2.17 115.29 125.80 2d8i s HIS 20 Ca 0.18 -1.16 -0.13 0.00 -0.15 0.00 0.00 55.06 53.81 2d8i s HIS 20 Cb -0.18 -3.63 -0.05 0.00 1.11 0.00 0.00 32.58 29.83 2d8i s HIS 20 CO 0.12 -0.97 0.28 0.42 -0.85 0.00 0.00 174.74 173.74 2d8i s ILE 21 N 1.69 5.30 -0.06 0.60 1.01 -0.58 -4.97 121.20 124.19 2d8i s ILE 21 Ca 0.04 0.52 0.03 0.00 0.00 0.00 0.00 60.65 61.24 2d8i s ILE 21 Cb -0.28 -3.60 0.01 0.00 0.01 0.00 0.00 42.46 38.60 2d8i s ILE 21 CO 0.04 0.45 -0.14 -0.70 0.00 0.00 0.00 174.94 174.60 2d8i s GLU 22 N 0.01 1.79 -0.14 2.79 2.12 -1.26 -1.24 118.70 122.77 2d8i s GLU 22 Ca 0.17 -0.49 -0.02 0.00 0.36 0.00 0.00 54.97 54.99 2d8i s GLU 22 Cb -0.13 -1.49 -0.02 0.00 0.26 0.00 0.00 34.13 32.75 2d8i s GLU 22 CO 0.05 0.10 -0.09 0.15 -0.54 0.00 0.00 175.26 174.93 2d8i s LYS 23 N 0.46 3.50 0.20 4.30 1.02 0.63 -4.98 119.74 124.87 2d8i s LYS 23 Ca -0.12 -0.61 -0.18 0.00 0.02 0.00 0.00 55.97 55.08 2d8i s LYS 23 Cb -0.15 -2.77 0.18 0.00 -0.52 0.00 0.00 37.83 34.58 2d8i s LYS 23 CO 0.04 0.21 1.43 0.43 -0.92 0.00 0.00 175.35 176.53 2d8i n SER 24 N 3.59 -0.65 -4.33 2.83 7.64 -1.26 -4.63 113.62 116.82 2d8i n SER 24 Ca -0.18 1.61 -0.29 0.00 1.01 0.00 0.00 58.87 61.02 2d8i n SER 24 Cb 0.53 -0.35 -0.06 0.00 -1.01 0.00 0.00 64.21 63.31 2d8i n SER 24 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2d8i n ASP 25 N -5.33 2.88 -0.09 6.43 5.68 -1.26 -5.06 116.55 119.81 2d8i n ASP 25 Ca 0.08 -3.06 0.02 0.00 -0.50 0.00 0.00 54.79 51.33 2d8i n ASP 25 Cb 0.35 0.46 0.00 0.00 -1.14 0.00 0.00 41.12 40.79 2d8i n ASP 25 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 2d8i n THR 26 N -1.11 0.00 -0.01 2.12 5.66 -1.26 -4.29 114.28 115.38 2d8i n THR 26 Ca -0.17 -0.48 -0.02 0.00 -3.05 0.00 0.00 64.05 60.34 2d8i n THR 26 Cb 0.59 1.04 -0.02 0.00 -1.55 0.00 0.00 70.33 70.40 2d8i n THR 26 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2d8i n ALA 27 N -0.23 1.94 -0.06 1.79 0.00 -1.26 -4.80 120.51 117.89 2d8i n ALA 27 Ca 0.01 -0.14 -0.17 0.00 0.00 0.00 0.00 53.44 53.14 2d8i n ALA 27 Cb 0.07 0.35 -0.13 0.00 0.00 0.00 0.00 19.45 19.74 2d8i n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d8i h ALA 28 N 0.04 0.06 -3.02 0.00 0.00 -2.00 -3.45 119.26 110.89 2d8i h ALA 28 Ca -0.07 -0.73 -0.60 0.00 0.00 0.00 0.00 54.91 53.51 2d8i h ALA 28 Cb 1.12 0.21 -0.11 0.00 0.00 0.00 0.00 17.79 19.01 2d8i h ALA 28 CO -0.01 0.27 -0.32 -0.51 0.00 0.00 0.00 179.25 178.69 2d8i s ASP 29 N -6.52 6.37 0.05 0.00 1.11 -1.26 -5.05 116.67 111.36 2d8i s ASP 29 Ca -0.20 0.43 0.03 0.00 0.18 0.00 0.00 52.55 52.99 2d8i s ASP 29 Cb 0.00 -2.18 -0.02 0.00 1.07 0.00 0.00 42.92 41.78 2d8i s ASP 29 CO 0.69 0.04 -0.11 0.28 1.18 0.00 0.00 175.17 177.25 2d8i s THR 30 N 0.85 0.80 1.03 -1.27 -1.32 -1.26 -4.45 115.64 110.02 2d8i s THR 30 Ca 0.16 -1.05 -0.13 0.00 -1.21 0.00 0.00 61.69 59.45 2d8i s THR 30 Cb -0.14 -0.79 0.20 0.00 -1.51 0.00 0.00 72.50 70.27 2d8i s THR 30 CO 0.05 -0.22 1.10 -0.31 -2.21 0.00 0.00 174.62 173.03 2d8i s TYR 31 N -1.14 1.90 -0.00 9.09 2.02 -1.26 -5.01 117.35 122.94 2d8i s TYR 31 Ca -0.05 0.88 0.26 0.00 -0.37 0.00 0.00 57.07 57.79 2d8i s TYR 31 Cb -0.09 -3.32 0.43 0.00 -0.40 0.00 0.00 41.96 38.58 2d8i s TYR 31 CO 0.01 -3.02 1.17 0.41 -1.57 0.00 0.00 175.55 172.55 2d8i n GLY 32 N -1.21 1.05 3.19 0.71 0.00 -1.26 -5.00 105.19 102.67 2d8i n GLY 32 Ca 0.06 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 2d8i n GLY 32 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2d8i s PHE 33 N -0.04 2.45 0.52 1.61 -0.71 -1.26 -0.95 117.98 119.60 2d8i s PHE 33 Ca 0.34 -1.02 0.07 0.00 -1.04 0.00 0.00 56.93 55.28 2d8i s PHE 33 Cb 0.39 -1.65 0.05 0.00 -1.21 0.00 0.00 43.02 40.60 2d8i s PHE 33 CO -0.17 -0.42 0.72 0.45 -1.34 0.00 0.00 175.22 174.46 2d8i s SER 34 N 0.42 5.28 -0.04 1.98 0.15 -0.91 -4.98 113.70 115.60 2d8i s SER 34 Ca -0.17 -0.54 -0.01 0.00 0.70 0.00 0.00 55.95 55.92 2d8i s SER 34 Cb -0.18 -0.24 0.03 0.00 -1.71 0.00 0.00 66.02 63.93 2d8i s SER 34 CO 0.07 -1.13 0.08 -0.76 1.20 0.00 0.00 173.24 172.70 2d8i s LEU 35 N -4.59 0.79 -0.07 3.45 1.43 -1.26 -3.57 118.68 114.86 2d8i s LEU 35 Ca 0.59 0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 53.81 2d8i s LEU 35 Cb -0.08 0.08 -0.04 0.00 0.03 0.00 0.00 46.19 46.18 2d8i s LEU 35 CO 0.37 -0.16 0.04 -0.55 0.23 0.00 0.00 176.35 176.28 2d8i s SER 36 N 1.31 5.47 -0.13 2.29 0.15 0.43 -4.89 113.70 118.32 2d8i s SER 36 Ca -0.07 0.18 -0.11 0.00 0.70 0.00 0.00 55.95 56.65 2d8i s SER 36 Cb -0.12 -1.57 -0.05 0.00 -1.71 0.00 0.00 66.02 62.57 2d8i s SER 36 CO -0.04 0.36 0.22 -0.94 1.20 0.00 0.00 173.24 174.03 2d8i s SER 37 N -1.12 6.42 -0.08 5.45 1.04 -1.26 -1.05 113.70 123.10 2d8i s SER 37 Ca 0.16 0.49 -0.03 0.00 0.48 0.00 0.00 55.95 57.05 2d8i s SER 37 Cb -0.12 -2.13 0.04 0.00 0.10 0.00 0.00 66.02 63.91 2d8i s SER 37 CO 0.05 0.25 0.09 -0.69 0.98 0.00 0.00 173.24 173.93 2d8i s VAL 38 N -0.27 -0.15 -0.15 5.02 1.01 -0.70 -5.01 120.40 120.15 2d8i s VAL 38 Ca 0.15 0.28 -0.17 0.00 0.00 0.00 0.00 61.98 62.23 2d8i s VAL 38 Cb -0.13 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 2d8i s VAL 38 CO 0.04 0.07 0.45 -0.70 0.00 0.00 0.00 175.10 174.96 2d8i s GLU 39 N 2.20 4.28 -0.20 2.72 -6.30 -1.26 -1.83 118.70 118.31 2d8i s GLU 39 Ca 0.04 0.37 -0.03 0.00 -2.50 0.00 0.00 54.97 52.85 2d8i s GLU 39 Cb -0.13 -3.47 0.06 0.00 0.00 0.00 0.00 34.13 30.59 2d8i s GLU 39 CO -0.05 0.09 0.05 -1.21 0.02 0.00 0.00 175.26 174.16 2d8i s GLU 40 N 0.87 0.56 -1.32 4.30 2.02 0.52 -4.81 118.70 120.85 2d8i s GLU 40 Ca 0.24 -0.42 -0.04 0.00 0.02 0.00 0.00 54.97 54.77 2d8i s GLU 40 Cb -0.15 -2.04 0.00 0.00 0.10 0.00 0.00 34.13 32.05 2d8i s GLU 40 CO 0.09 -0.68 0.50 -3.47 0.02 0.00 0.00 175.26 171.72 2d8i n ASP 41 N 5.08 -5.40 0.00 -0.19 2.03 -1.26 -1.86 116.55 114.94 2d8i n ASP 41 Ca -0.08 -0.23 0.00 0.00 0.52 0.00 0.00 54.79 54.99 2d8i n ASP 41 Cb 0.47 -4.25 0.00 0.00 -0.72 0.00 0.00 41.12 36.62 2d8i n ASP 41 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2d8i n GLY 42 N -1.39 3.01 3.62 0.27 0.00 -1.26 -5.00 105.19 104.43 2d8i n GLY 42 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2d8i n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2d8i s ILE 43 N -1.76 4.68 -0.20 -0.61 1.01 -0.78 -5.03 121.20 118.51 2d8i s ILE 43 Ca 0.00 1.33 -0.13 0.00 0.00 0.00 0.00 60.65 61.85 2d8i s ILE 43 Cb 0.00 -4.26 -0.05 0.00 0.01 0.00 0.00 42.46 38.17 2d8i s ILE 43 CO 0.00 -0.37 0.26 -0.60 0.00 0.00 0.00 174.94 174.22 2d8i s ARG 44 N 3.25 4.17 0.29 2.79 3.00 -1.26 -0.35 118.95 130.83 2d8i s ARG 44 Ca 0.37 -0.04 0.05 0.00 -1.00 0.00 0.00 55.73 55.12 2d8i s ARG 44 Cb -0.13 -3.49 -0.06 0.00 0.00 0.00 0.00 34.95 31.27 2d8i s ARG 44 CO 0.14 0.11 -0.01 1.03 0.00 0.00 0.00 175.30 176.58 2d8i s ARG 45 N 0.88 1.58 0.05 5.12 0.52 -0.76 -4.29 118.95 122.04 2d8i s ARG 45 Ca 0.13 -1.83 0.06 0.00 -0.52 0.00 0.00 55.73 53.57 2d8i s ARG 45 Cb -0.13 -1.02 -0.03 0.00 0.52 0.00 0.00 34.95 34.28 2d8i s ARG 45 CO 0.04 -0.05 -0.13 -0.51 0.02 0.00 0.00 175.30 174.67 2d8i s LEU 46 N -3.45 2.88 0.00 2.53 2.01 -1.26 -1.73 118.68 119.66 2d8i s LEU 46 Ca 0.32 -0.34 0.03 0.00 0.01 0.00 0.00 54.13 54.15 2d8i s LEU 46 Cb 0.06 -1.68 -0.01 0.00 0.01 0.00 0.00 46.19 44.57 2d8i s LEU 46 CO 0.13 0.24 -0.09 -0.31 1.01 0.00 0.00 176.35 177.34 2d8i s TYR 47 N -1.02 0.77 -0.77 0.29 2.02 -0.21 -2.71 117.35 115.73 2d8i s TYR 47 Ca 0.17 -0.19 -0.26 0.00 -0.37 0.00 0.00 57.07 56.42 2d8i s TYR 47 Cb -0.11 -0.49 0.04 0.00 -0.40 0.00 0.00 41.96 41.00 2d8i s TYR 47 CO 0.08 -0.01 1.26 0.08 -1.57 0.00 0.00 175.55 175.39 2d8i s VAL 48 N -0.37 3.85 0.04 0.71 1.01 -1.14 -0.43 120.40 124.07 2d8i s VAL 48 Ca 0.02 0.11 -0.25 0.00 0.00 0.00 0.00 61.98 61.85 2d8i s VAL 48 Cb -0.04 -4.91 -0.17 0.00 0.00 0.00 0.00 36.38 31.26 2d8i s VAL 48 CO -0.00 -1.81 1.46 -1.13 0.00 0.00 0.00 175.10 173.62 2d8i h ASN 49 N 9.91 -0.19 -4.99 3.32 -0.73 -1.91 -1.84 115.58 119.14 2d8i h ASN 49 Ca -0.20 -0.17 -0.17 0.00 1.87 0.00 0.00 56.30 57.63 2d8i h ASN 49 Cb 1.05 0.05 -0.18 0.00 0.27 0.00 0.00 38.32 39.51 2d8i h ASN 49 CO 1.29 0.06 -0.70 -0.55 -0.37 0.00 0.00 177.43 177.16 2d8i s SER 50 N -5.19 0.57 0.08 1.15 0.15 -1.26 -4.68 113.70 104.52 2d8i s SER 50 Ca -0.15 -0.79 0.08 0.00 0.70 0.00 0.00 55.95 55.79 2d8i s SER 50 Cb 0.03 0.13 -0.03 0.00 -1.71 0.00 0.00 66.02 64.44 2d8i s SER 50 CO 0.62 -0.44 -0.21 -0.69 1.20 0.00 0.00 173.24 173.73 2d8i s VAL 51 N -2.80 1.70 0.30 4.45 1.01 -1.26 -2.14 120.40 121.66 2d8i s VAL 51 Ca -0.01 -1.44 -0.30 0.00 0.00 0.00 0.00 61.98 60.23 2d8i s VAL 51 Cb -0.00 -1.53 -0.12 0.00 0.00 0.00 0.00 36.38 34.73 2d8i s VAL 51 CO -0.05 0.02 1.53 1.17 0.00 0.00 0.00 175.10 177.78 2d8i n LYS 52 N 1.32 2.55 -1.97 2.72 4.81 -0.12 -4.80 118.16 122.66 2d8i n LYS 52 Ca -0.19 0.91 -0.42 0.00 -0.87 0.00 0.00 58.31 57.74 2d8i n LYS 52 Cb 0.53 -2.65 -0.03 0.00 0.02 0.00 0.00 35.03 32.91 2d8i n LYS 52 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2d8i s GLU 53 N -0.76 4.24 -0.85 1.64 2.12 -1.26 -3.05 118.70 120.78 2d8i s GLU 53 Ca 0.63 2.32 -0.11 0.00 0.36 0.00 0.00 54.97 58.18 2d8i s GLU 53 Cb -0.52 -3.14 0.11 0.00 0.26 0.00 0.00 34.13 30.83 2d8i s GLU 53 CO 0.51 -0.53 0.27 -2.37 -0.54 0.00 0.00 175.26 172.60 2d8i n THR 54 N 3.37 0.00 -0.01 -1.70 5.66 -1.26 -4.81 114.28 115.53 2d8i n THR 54 Ca 0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 2d8i n THR 54 Cb 0.39 -0.23 0.00 0.00 -1.55 0.00 0.00 70.33 68.95 2d8i n THR 54 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2d8i n GLY 55 N -0.72 1.63 0.11 1.09 0.00 -1.17 -4.94 105.19 101.19 2d8i n GLY 55 Ca 0.05 -1.64 -0.23 0.00 0.00 0.00 0.00 46.02 44.20 2d8i n GLY 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d8i n LEU 56 N 0.00 1.88 0.00 0.99 4.77 -1.26 -3.84 117.00 119.54 2d8i n LEU 56 Ca 0.00 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 2d8i n LEU 56 Cb 0.00 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 40.16 2d8i n LEU 56 CO 0.00 0.32 0.45 0.00 -1.33 0.00 0.00 177.39 176.84 2d8i n ALA 57 N -3.62 -0.17 -0.19 -1.18 0.00 -1.26 -1.16 120.51 112.92 2d8i n ALA 57 Ca -0.37 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 52.95 2d8i n ALA 57 Cb 0.72 0.26 -0.09 0.00 0.00 0.00 0.00 19.45 20.34 2d8i n ALA 57 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2d8i h SER 58 N 0.00 -1.88 -0.98 0.00 4.64 -1.77 -1.14 113.55 112.43 2d8i h SER 58 Ca 0.00 0.26 0.12 0.00 -0.47 0.00 0.00 61.79 61.70 2d8i h SER 58 Cb 0.00 0.79 -0.14 0.00 -0.31 0.00 0.00 62.40 62.74 2d8i h SER 58 CO 0.00 -0.37 -0.46 0.29 -0.87 0.00 0.00 176.83 175.42 2d8i n LYS 59 N -5.36 -0.31 0.06 4.77 5.02 -1.13 -1.50 118.16 119.72 2d8i n LYS 59 Ca -0.02 1.49 -0.08 0.00 -2.02 0.00 0.00 58.31 57.69 2d8i n LYS 59 Cb 0.33 -2.21 -0.05 0.00 -0.02 0.00 0.00 35.03 33.09 2d8i n LYS 59 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2d8i h LYS 60 N 0.00 -0.35 0.00 1.97 1.79 0.09 -3.46 116.57 116.61 2d8i h LYS 60 Ca 0.26 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 2d8i h LYS 60 Cb 0.51 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 2d8i h LYS 60 CO -0.95 -0.23 0.00 0.41 -1.08 0.00 0.00 179.45 177.60 2d8i n GLY 61 N -1.23 0.01 3.18 3.86 0.00 -0.56 -5.12 105.19 105.33 2d8i n GLY 61 Ca -0.04 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 2d8i n GLY 61 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d8i n LEU 62 N -0.17 -3.93 -3.58 0.99 4.77 -1.14 -4.88 117.00 109.05 2d8i n LEU 62 Ca 0.00 0.45 -0.10 0.00 -0.03 0.00 0.00 56.01 56.33 2d8i n LEU 62 Cb 0.00 -0.87 -0.05 0.00 -2.33 0.00 0.00 43.42 40.17 2d8i n LEU 62 CO 0.00 -5.04 0.80 -0.75 -1.33 0.00 0.00 177.39 171.07 2d8i s LYS 63 N -1.70 0.56 -0.80 3.23 2.20 -1.26 -4.10 119.74 117.88 2d8i s LYS 63 Ca 0.51 0.13 -0.23 0.00 -0.36 0.00 0.00 55.97 56.03 2d8i s LYS 63 Cb -0.34 0.26 -0.18 0.00 -1.51 0.00 0.00 37.83 36.06 2d8i s LYS 63 CO 0.72 -0.18 2.41 0.00 -0.36 0.00 0.00 175.35 177.94 2d8i n ALA 64 N 0.70 0.63 0.00 3.13 0.00 -1.26 -2.72 120.51 120.99 2d8i n ALA 64 Ca -0.09 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.40 2d8i n ALA 64 Cb 0.58 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 17.15 2d8i n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d8i n GLY 65 N 6.25 0.52 3.71 0.00 0.00 -0.69 -5.01 105.19 109.97 2d8i n GLY 65 Ca 0.53 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.28 2d8i n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2d8i s ASP 66 N -0.75 4.26 -0.22 1.61 -1.08 -1.10 -4.94 116.67 114.45 2d8i s ASP 66 Ca 0.00 -1.21 -0.00 0.00 -0.52 0.00 0.00 52.55 50.82 2d8i s ASP 66 Cb 0.00 -0.34 0.06 0.00 -1.46 0.00 0.00 42.92 41.18 2d8i s ASP 66 CO 0.00 -0.57 -0.04 -0.70 0.52 0.00 0.00 175.17 174.39 2d8i s GLU 67 N -3.87 1.43 -0.76 4.34 2.12 -1.26 -2.90 118.70 117.80 2d8i s GLU 67 Ca 0.37 -0.86 -0.25 0.00 0.36 0.00 0.00 54.97 54.59 2d8i s GLU 67 Cb 0.05 -2.48 0.05 0.00 0.26 0.00 0.00 34.13 32.01 2d8i s GLU 67 CO 0.20 -0.60 1.19 0.42 -0.54 0.00 0.00 175.26 175.93 2d8i s ILE 68 N 1.49 3.99 0.02 -3.70 1.09 -1.10 -3.79 121.20 119.20 2d8i s ILE 68 Ca -0.05 -0.09 -0.27 0.00 -1.10 0.00 0.00 60.65 59.14 2d8i s ILE 68 Cb -0.18 -4.85 -0.15 0.00 -1.06 0.00 0.00 42.46 36.21 2d8i s ILE 68 CO -0.07 -1.72 1.17 -0.07 -0.10 0.00 0.00 174.94 174.15 2d8i h LEU 69 N 12.32 -0.76 -8.77 2.97 3.38 -1.09 -3.39 115.31 119.97 2d8i h LEU 69 Ca -0.20 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.40 2d8i h LEU 69 Cb 1.05 0.20 -0.14 0.00 0.09 0.00 0.00 40.66 41.85 2d8i h LEU 69 CO 1.26 -0.39 -0.71 -1.61 0.09 0.00 0.00 178.44 177.08 2d8i s GLU 70 N -4.80 1.19 -0.29 1.13 2.02 -1.23 -3.54 118.70 113.19 2d8i s GLU 70 Ca -0.15 -1.54 -0.01 0.00 0.02 0.00 0.00 54.97 53.30 2d8i s GLU 70 Cb 0.02 -0.77 0.09 0.00 0.10 0.00 0.00 34.13 33.57 2d8i s GLU 70 CO 0.46 0.07 0.08 0.42 0.02 0.00 0.00 175.26 176.31 2d8i s ILE 71 N -3.24 0.79 -1.36 -1.63 1.01 0.62 -2.01 121.20 115.38 2d8i s ILE 71 Ca 0.21 -1.22 -0.08 0.00 0.00 0.00 0.00 60.65 59.55 2d8i s ILE 71 Cb 0.02 -1.53 0.02 0.00 0.01 0.00 0.00 42.46 40.98 2d8i s ILE 71 CO 0.04 -0.58 1.13 0.59 0.00 0.00 0.00 174.94 176.12 2d8i n ASN 72 N 4.90 -5.56 -1.66 3.58 4.13 0.60 -2.25 115.26 119.00 2d8i n ASN 72 Ca -0.04 -0.59 -0.09 0.00 1.68 0.00 0.00 54.58 55.54 2d8i n ASN 72 Cb 0.43 -4.88 0.03 0.00 -1.54 0.00 0.00 39.78 33.81 2d8i n ASN 72 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2d8i n ASN 73 N -3.01 -3.67 -3.82 6.41 4.13 -1.26 -5.05 115.26 108.99 2d8i n ASN 73 Ca -0.03 -0.20 -0.12 0.00 1.68 0.00 0.00 54.58 55.91 2d8i n ASN 73 Cb 0.57 -2.25 -0.13 0.00 -1.54 0.00 0.00 39.78 36.43 2d8i n ASN 73 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2d8i s ARG 74 N -5.46 0.12 -0.13 3.52 1.81 -0.95 -5.12 118.95 112.74 2d8i s ARG 74 Ca 0.22 0.17 -0.29 0.00 -1.72 0.00 0.00 55.73 54.11 2d8i s ARG 74 Cb -0.10 0.03 -0.04 0.00 -0.45 0.00 0.00 34.95 34.39 2d8i s ARG 74 CO 0.27 -0.03 1.65 0.00 -0.68 0.00 0.00 175.30 176.51 2d8i s ALA 75 N 0.20 3.45 0.14 2.13 0.00 -1.26 -0.27 121.76 126.15 2d8i s ALA 75 Ca -0.01 0.74 -0.29 0.00 0.00 0.00 0.00 51.96 52.39 2d8i s ALA 75 Cb -0.02 -3.80 -0.04 0.00 0.00 0.00 0.00 23.12 19.26 2d8i s ALA 75 CO -0.01 -1.66 1.56 0.00 0.00 0.00 0.00 175.76 175.65 2d8i h ALA 76 N 10.19 -0.58 -0.92 0.00 0.00 -1.85 0.19 119.26 126.30 2d8i h ALA 76 Ca -0.37 0.03 0.17 0.00 0.00 0.00 0.00 54.91 54.75 2d8i h ALA 76 Cb 1.17 0.98 -0.08 0.00 0.00 0.00 0.00 17.79 19.87 2d8i h ALA 76 CO 0.97 -0.94 0.59 0.38 0.00 0.00 0.00 179.25 180.25 2d8i h ASP 77 N -0.37 0.60 0.04 0.00 2.03 -1.87 0.17 116.42 117.03 2d8i h ASP 77 Ca 0.11 0.05 -0.07 0.00 -0.73 0.00 0.00 57.03 56.40 2d8i h ASP 77 Cb 0.60 -0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 39.02 2d8i h ASP 77 CO -0.58 0.27 -0.19 0.00 -1.03 0.00 0.00 179.24 177.71 2d8i h ALA 78 N 1.61 1.38 -2.64 4.15 0.00 -1.06 -3.42 119.26 119.27 2d8i h ALA 78 Ca 0.48 -0.26 -0.56 0.00 0.00 0.00 0.00 54.91 54.58 2d8i h ALA 78 Cb 0.91 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 2d8i h ALA 78 CO -0.23 0.43 0.14 -0.51 0.00 0.00 0.00 179.25 179.07 2d8i s LEU 79 N -8.67 4.32 0.51 0.00 1.43 0.60 -5.03 118.68 111.84 2d8i s LEU 79 Ca -0.05 1.26 0.05 0.00 -1.03 0.00 0.00 54.13 54.36 2d8i s LEU 79 Cb 0.15 -3.16 0.01 0.00 0.03 0.00 0.00 46.19 43.22 2d8i s LEU 79 CO 0.75 -0.14 0.31 0.54 0.23 0.00 0.00 176.35 178.04 2d8i s ASN 80 N 0.84 4.56 0.10 2.29 6.03 -1.26 -4.79 114.94 122.71 2d8i s ASN 80 Ca 0.40 -1.23 -0.20 0.00 -1.03 0.00 0.00 52.86 50.80 2d8i s ASN 80 Cb -0.18 0.19 -0.04 0.00 -3.03 0.00 0.00 41.25 38.19 2d8i s ASN 80 CO 0.20 -0.94 1.06 -1.54 -2.03 0.00 0.00 177.10 173.85 2d8i n SER 81 N -1.59 -0.67 0.00 3.54 3.41 -1.26 0.22 113.62 117.26 2d8i n SER 81 Ca -0.03 1.22 0.00 0.00 -0.26 0.00 0.00 58.87 59.79 2d8i n SER 81 Cb 0.64 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2d8i n SER 81 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2d8i n SER 82 N -4.64 0.00 0.17 4.04 2.88 -1.26 -0.25 113.62 114.56 2d8i n SER 82 Ca 0.01 0.99 -0.16 0.00 -1.33 0.00 0.00 58.87 58.38 2d8i n SER 82 Cb 0.17 -0.49 -0.09 0.00 -0.75 0.00 0.00 64.21 63.05 2d8i n SER 82 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 2d8i h MET 83 N 0.00 -0.75 -0.97 -1.46 2.86 -1.54 -1.71 114.93 111.36 2d8i h MET 83 Ca 0.00 0.05 0.35 0.00 -2.06 0.00 0.00 59.70 58.04 2d8i h MET 83 Cb 0.00 0.17 -0.18 0.00 0.06 0.00 0.00 31.60 31.65 2d8i h MET 83 CO 0.00 -0.50 0.33 1.28 1.06 0.00 0.00 176.91 179.08 2d8i n LEU 84 N -5.50 0.16 -0.22 1.22 4.77 0.13 0.17 117.00 117.74 2d8i n LEU 84 Ca -0.09 1.62 -0.07 0.00 -0.03 0.00 0.00 56.01 57.44 2d8i n LEU 84 Cb 0.41 -0.71 0.03 0.00 -2.33 0.00 0.00 43.42 40.82 2d8i n LEU 84 CO 0.21 -1.75 1.00 0.50 -1.33 0.00 0.00 177.39 176.02 2d8i h LYS 85 N 0.00 0.90 -0.31 3.23 3.64 0.31 -1.84 116.57 122.49 2d8i h LYS 85 Ca 0.73 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 59.98 2d8i h LYS 85 Cb 1.80 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 33.44 2d8i h LYS 85 CO -0.81 0.76 0.12 0.22 -2.27 0.00 0.00 179.45 177.47 2d8i h ASP 86 N 0.84 0.14 -0.74 4.20 3.58 0.21 0.24 116.42 124.89 2d8i h ASP 86 Ca 0.20 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.66 2d8i h ASP 86 Cb 0.19 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 2d8i h ASP 86 CO -0.02 0.12 0.39 -0.26 -2.88 0.00 0.00 179.24 176.59 2d8i h PHE 87 N 0.26 1.04 0.00 0.28 0.04 -1.19 -2.10 116.94 115.27 2d8i h PHE 87 Ca 0.14 -0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.81 2d8i h PHE 87 Cb 0.09 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 2d8i h PHE 87 CO -0.13 0.74 -0.30 -0.07 -0.60 0.00 0.00 178.31 177.96 2d8i h LEU 88 N 1.03 0.00 -1.18 1.54 3.38 -0.84 -2.03 115.31 117.22 2d8i h LEU 88 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2d8i h LEU 88 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2d8i h LEU 88 CO -0.04 0.30 0.00 -1.28 0.09 0.00 0.00 178.44 177.51 2d8i h SER 89 N 0.00 0.00 -3.76 -0.43 0.87 -0.26 -3.44 113.55 106.53 2d8i h SER 89 Ca -0.00 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 60.07 2d8i h SER 89 Cb 0.56 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 2d8i h SER 89 CO 0.04 0.00 0.29 -1.10 -0.53 0.00 0.00 176.83 175.53 2d8i s GLN 90 N -3.55 4.60 0.40 2.24 -0.21 -0.76 -4.90 119.66 117.47 2d8i s GLN 90 Ca 0.02 1.28 0.19 0.00 0.02 0.00 0.00 55.36 56.87 2d8i s GLN 90 Cb 0.09 -2.98 0.82 0.00 1.00 0.00 0.00 33.01 31.94 2d8i s GLN 90 CO 0.52 0.39 1.81 -1.00 -2.12 0.00 0.00 175.29 174.90 2d8i h PRO 91 N 3.59 0.00 -5.27 2.91 0.13 -1.85 -3.42 132.00 128.09 2d8i h PRO 91 Ca -0.47 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.99 2d8i h PRO 91 Cb 1.20 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.01 2d8i h PRO 91 CO 0.66 0.33 -0.85 -1.54 -0.23 0.00 0.00 178.00 176.38 2d8i s SER 92 N -6.51 3.34 0.03 1.44 1.04 -1.26 -0.27 113.70 111.50 2d8i s SER 92 Ca -0.01 -0.52 0.03 0.00 0.48 0.00 0.00 55.95 55.93 2d8i s SER 92 Cb 0.12 -1.48 -0.02 0.00 0.10 0.00 0.00 66.02 64.75 2d8i s SER 92 CO 0.68 0.12 -0.09 -0.76 0.98 0.00 0.00 173.24 174.17 2d8i s LEU 93 N 0.57 2.15 -0.35 2.42 1.43 -0.37 -5.01 118.68 119.52 2d8i s LEU 93 Ca -0.12 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 52.64 2d8i s LEU 93 Cb -0.16 -0.36 0.10 0.00 0.03 0.00 0.00 46.19 45.79 2d8i s LEU 93 CO 0.04 -0.03 0.08 -0.83 0.23 0.00 0.00 176.35 175.83 2d8i s GLY 94 N -0.95 1.78 0.22 -3.19 0.00 -1.26 -1.52 107.32 102.40 2d8i s GLY 94 Ca -0.02 -2.40 -0.03 0.00 0.00 0.00 0.00 44.72 42.26 2d8i s GLY 94 CO 0.00 1.10 0.45 1.08 0.00 0.00 0.00 173.10 175.74 2d8i s LEU 95 N 0.97 4.17 -0.25 0.66 1.43 -0.92 -0.29 118.68 124.45 2d8i s LEU 95 Ca 0.11 0.56 0.00 0.00 -1.03 0.00 0.00 54.13 53.78 2d8i s LEU 95 Cb -0.19 -3.34 0.07 0.00 0.03 0.00 0.00 46.19 42.76 2d8i s LEU 95 CO -0.11 -0.08 -0.01 -0.22 0.23 0.00 0.00 176.35 176.16 2d8i s LEU 96 N -3.25 2.50 0.27 1.79 2.96 -0.85 -1.75 118.68 120.35 2d8i s LEU 96 Ca 0.41 -1.28 0.10 0.00 -0.22 0.00 0.00 54.13 53.15 2d8i s LEU 96 Cb -0.11 -1.08 -0.05 0.00 0.50 0.00 0.00 46.19 45.45 2d8i s LEU 96 CO 0.28 -0.29 -0.07 0.68 -1.32 0.00 0.00 176.35 175.64 2d8i s VAL 97 N 1.45 3.13 -0.01 1.68 -7.23 -1.17 -0.43 120.40 117.83 2d8i s VAL 97 Ca -0.01 -2.07 -0.01 0.00 -1.81 0.00 0.00 61.98 58.08 2d8i s VAL 97 Cb -0.18 -2.66 -0.04 0.00 0.56 0.00 0.00 36.38 34.06 2d8i s VAL 97 CO -0.09 -0.38 0.09 -0.60 -0.31 0.00 0.00 175.10 173.81 2d8i s ARG 98 N -3.60 3.09 0.07 4.82 3.52 -1.25 -2.60 118.95 123.01 2d8i s ARG 98 Ca 0.31 -0.47 -0.17 0.00 -0.13 0.00 0.00 55.73 55.27 2d8i s ARG 98 Cb -0.06 -2.87 0.03 0.00 -1.56 0.00 0.00 34.95 30.49 2d8i s ARG 98 CO 0.18 0.65 0.39 -0.08 -0.81 0.00 0.00 175.30 175.63 2d8i s THR 99 N -1.19 0.07 -0.11 4.11 -1.32 -0.91 -4.80 115.64 111.50 2d8i s THR 99 Ca 0.23 -0.55 -0.05 0.00 -1.21 0.00 0.00 61.69 60.11 2d8i s THR 99 Cb -0.12 -1.04 -0.04 0.00 -1.51 0.00 0.00 72.50 69.79 2d8i s THR 99 CO 0.14 -0.30 0.09 -0.31 -2.21 0.00 0.00 174.62 172.02 2d8i s TYR 100 N -3.01 3.42 0.50 9.09 1.51 -1.26 -0.27 117.35 127.32 2d8i s TYR 100 Ca -0.02 0.39 -0.21 0.00 -1.01 0.00 0.00 57.07 56.22 2d8i s TYR 100 Cb 0.00 -1.89 -0.07 0.00 -0.11 0.00 0.00 41.96 39.90 2d8i s TYR 100 CO -0.06 0.62 1.15 -1.25 -1.11 0.00 0.00 175.55 174.90 2d8i s PRO 101 N -0.94 3.57 0.43 -1.71 0.04 -1.26 -4.93 135.00 130.20 2d8i s PRO 101 Ca 0.14 1.69 0.08 0.00 0.04 0.00 0.00 61.00 62.95 2d8i s PRO 101 Cb -0.12 -2.22 -0.01 0.00 0.04 0.00 0.00 34.50 32.20 2d8i s PRO 101 CO 0.03 -0.69 0.42 -1.83 0.04 0.00 0.00 177.00 174.97 2d8i s GLU 102 N -2.98 2.53 -0.01 4.56 -1.05 -1.26 -5.07 118.70 115.42 2d8i s GLU 102 Ca 0.68 -1.55 0.03 0.00 -0.15 0.00 0.00 54.97 53.98 2d8i s GLU 102 Cb -0.26 -2.40 -0.03 0.00 -0.44 0.00 0.00 34.13 30.99 2d8i s GLU 102 CO 0.31 -0.26 -0.09 -1.17 0.95 0.00 0.00 175.26 174.99 2d8i s LEU 103 N -4.19 3.03 -0.55 1.83 2.96 -1.26 -4.68 118.68 115.83 2d8i s LEU 103 Ca 0.48 -0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 54.21 2d8i s LEU 103 Cb -0.04 -1.72 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 2d8i s LEU 103 CO 0.28 0.30 0.46 1.21 -1.32 0.00 0.00 176.35 177.28 2d8i n GLU 104 N 1.75 -2.58 -4.36 1.98 2.13 -1.26 -5.06 120.64 113.25 2d8i n GLU 104 Ca -0.16 0.40 -0.19 0.00 0.66 0.00 0.00 57.16 57.87 2d8i n GLU 104 Cb 0.52 -3.94 -0.10 0.00 0.27 0.00 0.00 31.44 28.19 2d8i n GLU 104 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 2d8i s GLU 105 N -4.38 1.36 0.00 5.31 4.04 -1.26 -5.12 118.70 118.65 2d8i s GLU 105 Ca 0.06 -1.61 0.00 0.00 0.04 0.00 0.00 54.97 53.45 2d8i s GLU 105 Cb -0.01 -1.14 0.00 0.00 0.02 0.00 0.00 34.13 33.00 2d8i s GLU 105 CO 0.34 0.17 0.00 0.41 -1.84 0.00 0.00 175.26 174.35 2d8i n GLY 106 N -0.41 3.89 3.64 -3.83 0.00 -1.26 -5.11 105.19 102.12 2d8i n GLY 106 Ca -0.08 -1.52 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 2d8i n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d8i s VAL 107 N -1.84 4.01 0.27 1.61 0.11 -1.26 -5.12 120.40 118.18 2d8i s VAL 107 Ca 0.00 -0.46 -0.09 0.00 -2.93 0.00 0.00 61.98 58.50 2d8i s VAL 107 Cb 0.00 -2.70 -0.07 0.00 -1.53 0.00 0.00 36.38 32.08 2d8i s VAL 107 CO 0.00 0.53 0.59 -1.83 -3.33 0.00 0.00 175.10 171.06 2d8i s GLU 108 N -1.08 3.78 -0.29 1.54 -1.05 -1.26 -5.09 118.70 115.26 2d8i s GLU 108 Ca 0.15 0.28 -0.15 0.00 -0.15 0.00 0.00 54.97 55.10 2d8i s GLU 108 Cb -0.11 -2.60 0.13 0.00 -0.44 0.00 0.00 34.13 31.11 2d8i s GLU 108 CO 0.04 0.24 0.86 -1.54 0.95 0.00 0.00 175.26 175.82 2d8i s SER 109 N -2.60 -0.73 0.25 0.83 1.04 -1.26 -5.13 113.70 106.10 2d8i s SER 109 Ca 0.48 1.09 0.01 0.00 0.48 0.00 0.00 55.95 58.00 2d8i s SER 109 Cb -0.11 1.56 0.01 0.00 0.10 0.00 0.00 66.02 67.57 2d8i s SER 109 CO 0.24 -0.16 0.04 0.61 0.98 0.00 0.00 173.24 174.95 2d8i n GLY 110 N 4.47 3.67 0.06 7.32 0.00 -1.26 -5.01 105.19 114.43 2d8i n GLY 110 Ca -0.15 -2.28 0.09 0.00 0.00 0.00 0.00 46.02 43.68 2d8i n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d8i n PRO 111 N -0.73 0.08 -0.02 1.61 -0.04 -1.26 -3.01 135.00 131.63 2d8i n PRO 111 Ca -0.08 0.33 -0.20 0.00 -0.04 0.00 0.00 63.50 63.50 2d8i n PRO 111 Cb 0.31 -1.66 -0.13 0.00 -0.04 0.00 0.00 33.50 31.97 2d8i n PRO 111 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2d8i h SER 112 N 0.00 0.26 -6.92 3.54 0.87 -2.05 -3.47 113.55 105.78 2d8i h SER 112 Ca 0.00 -0.81 -0.58 0.00 -1.23 0.00 0.00 61.79 59.16 2d8i h SER 112 Cb 0.30 -0.08 -0.34 0.00 -0.44 0.00 0.00 62.40 61.83 2d8i h SER 112 CO 0.00 1.49 -0.85 -1.54 -0.53 0.00 0.00 176.83 175.40 2d8i n SER 113 N -4.13 -1.37 0.00 6.23 3.41 -1.17 -5.26 113.62 111.34 2d8i n SER 113 Ca -0.23 -1.17 0.00 0.00 -0.26 0.00 0.00 58.87 57.21 2d8i n SER 113 Cb 0.79 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 2d8i n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49