#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8i s SER 2 N 0.00 5.20 0.31 1.61 1.04 -1.26 -5.05 113.70 115.55 2d8i s SER 2 Ca 0.00 -2.88 0.03 0.00 0.48 0.00 0.00 55.95 53.58 2d8i s SER 2 Cb 0.00 -1.85 -0.02 0.00 0.10 0.00 0.00 66.02 64.25 2d8i s SER 2 CO 0.00 -0.36 0.30 -0.55 0.98 0.00 0.00 173.24 173.61 2d8i s SER 3 N 0.62 1.21 0.91 7.02 0.15 -1.26 -5.17 113.70 117.18 2d8i s SER 3 Ca 0.17 -1.62 0.00 0.00 0.70 0.00 0.00 55.95 55.21 2d8i s SER 3 Cb -0.20 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 2d8i s SER 3 CO -0.03 -1.08 0.00 0.61 1.20 0.00 0.00 173.24 173.94 2d8i n GLY 4 N -0.54 -1.87 3.64 9.45 0.00 -1.26 -4.95 105.19 109.65 2d8i n GLY 4 Ca 0.05 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 44.10 2d8i n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d8i s SER 5 N -1.30 6.84 0.35 1.61 0.15 -1.26 -4.91 113.70 115.18 2d8i s SER 5 Ca 0.00 1.26 0.02 0.00 0.70 0.00 0.00 55.95 57.93 2d8i s SER 5 Cb 0.00 -2.54 0.63 0.00 -1.71 0.00 0.00 66.02 62.40 2d8i s SER 5 CO 0.00 -0.93 2.00 0.77 1.20 0.00 0.00 173.24 176.28 2d8i h SER 6 N 8.58 0.74 0.00 5.45 4.64 -2.05 -3.48 113.55 127.43 2d8i h SER 6 Ca -0.24 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2d8i h SER 6 Cb 1.08 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2d8i h SER 6 CO 1.02 0.53 0.00 0.61 -0.87 0.00 0.00 176.83 178.12 2d8i n GLY 7 N -1.44 1.31 3.39 -0.77 0.00 -1.26 -5.02 105.19 101.41 2d8i n GLY 7 Ca 0.07 -0.39 -0.45 0.00 0.00 0.00 0.00 46.02 45.25 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 3.43 -0.50 1.61 0.41 -1.26 -4.99 118.70 117.40 2d8i s GLU 8 Ca 0.00 -1.83 -0.44 0.00 -0.41 0.00 0.00 54.97 52.29 2d8i s GLU 8 Cb 0.00 -4.56 -0.19 0.00 -1.78 0.00 0.00 34.13 27.60 2d8i s GLU 8 CO 0.00 -1.56 2.10 -0.89 -0.49 0.00 0.00 175.26 174.43 2d8i n ILE 9 N 5.04 0.00 -3.52 -1.63 5.41 -1.26 -4.91 119.36 118.50 2d8i n ILE 9 Ca 0.10 -0.00 -0.23 0.00 1.00 0.00 0.00 62.75 63.62 2d8i n ILE 9 Cb 0.46 -0.52 0.02 0.00 -0.71 0.00 0.00 39.64 38.89 2d8i n ILE 9 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2d8i s GLU 10 N 5.79 2.32 -0.12 0.38 0.41 -1.26 -5.06 118.70 121.16 2d8i s GLU 10 Ca 1.19 -1.81 0.03 0.00 -0.41 0.00 0.00 54.97 53.97 2d8i s GLU 10 Cb -1.49 -2.35 -0.24 0.00 -1.78 0.00 0.00 34.13 28.27 2d8i s GLU 10 CO 0.67 -0.65 0.36 -0.89 -0.49 0.00 0.00 175.26 174.27 2d8i n ILE 11 N -1.91 1.65 -0.32 -1.63 5.41 -1.26 -4.43 119.36 116.87 2d8i n ILE 11 Ca 0.05 -0.71 -0.08 0.00 1.00 0.00 0.00 62.75 63.01 2d8i n ILE 11 Cb 0.63 -1.33 -0.08 0.00 -0.71 0.00 0.00 39.64 38.15 2d8i n ILE 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2d8i n PRO 13 N -4.94 -0.58 -4.40 0.00 -0.04 -1.26 -5.10 135.00 118.68 2d8i n PRO 13 Ca 0.02 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.26 2d8i n PRO 13 Cb 0.20 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.57 2d8i n PRO 13 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2d8i s LYS 14 N -2.33 1.72 0.02 0.54 1.02 -1.26 -4.68 119.74 114.77 2d8i s LYS 14 Ca 0.00 -2.00 0.01 0.00 0.02 0.00 0.00 55.97 54.00 2d8i s LYS 14 Cb 0.00 -0.33 -0.02 0.00 -0.52 0.00 0.00 37.83 36.96 2d8i s LYS 14 CO 0.00 -0.44 -0.05 0.14 -0.92 0.00 0.00 175.35 174.08 2d8i s VAL 15 N -3.44 0.35 -0.07 3.17 -7.23 0.76 -4.93 120.40 109.01 2d8i s VAL 15 Ca 0.32 -0.72 -0.27 0.00 -1.81 0.00 0.00 61.98 59.50 2d8i s VAL 15 Cb 0.04 -0.40 -0.03 0.00 0.56 0.00 0.00 36.38 36.56 2d8i s VAL 15 CO 0.17 -0.25 0.87 0.42 -0.31 0.00 0.00 175.10 175.99 2d8i s THR 16 N -0.96 4.91 -0.06 5.32 -4.23 -1.26 -0.60 115.64 118.76 2d8i s THR 16 Ca -0.08 1.78 0.05 0.00 -1.18 0.00 0.00 61.69 62.27 2d8i s THR 16 Cb -0.07 -4.20 -0.00 0.00 1.34 0.00 0.00 72.50 69.57 2d8i s THR 16 CO -0.00 0.14 -0.22 0.00 -0.54 0.00 0.00 174.62 174.00 2d8i s GLN 17 N 1.33 2.37 -0.37 3.99 -2.07 0.02 -4.97 119.66 119.96 2d8i s GLN 17 Ca 0.44 -0.78 -0.19 0.00 -1.82 0.00 0.00 55.36 53.01 2d8i s GLN 17 Cb -0.19 -1.96 0.00 0.00 -1.09 0.00 0.00 33.01 29.77 2d8i s GLN 17 CO 0.20 0.28 0.56 0.45 -1.32 0.00 0.00 175.29 175.46 2d8i s SER 18 N 0.05 6.34 -0.24 12.60 0.15 -1.26 -2.82 113.70 128.51 2d8i s SER 18 Ca -0.07 -0.08 -0.07 0.00 0.70 0.00 0.00 55.95 56.43 2d8i s SER 18 Cb -0.14 -2.29 -0.02 0.00 -1.71 0.00 0.00 66.02 61.86 2d8i s SER 18 CO 0.04 -0.56 0.05 -0.63 1.20 0.00 0.00 173.24 173.34 2d8i s ILE 19 N 2.52 4.11 -0.31 6.45 1.01 -0.60 -5.01 121.20 129.37 2d8i s ILE 19 Ca 0.20 -0.24 0.03 0.00 0.00 0.00 0.00 60.65 60.64 2d8i s ILE 19 Cb -0.15 -2.91 0.08 0.00 0.01 0.00 0.00 42.46 39.49 2d8i s ILE 19 CO 0.15 0.36 -0.01 -1.00 0.00 0.00 0.00 174.94 174.43 2d8i s HIS 20 N 1.58 3.52 -0.17 3.97 3.76 -1.26 -0.92 115.29 125.76 2d8i s HIS 20 Ca 0.06 -2.63 -0.13 0.00 -0.15 0.00 0.00 55.06 52.21 2d8i s HIS 20 Cb -0.15 -2.47 -0.05 0.00 1.11 0.00 0.00 32.58 31.02 2d8i s HIS 20 CO 0.02 -0.91 0.28 0.42 -0.85 0.00 0.00 174.74 173.70 2d8i s ILE 21 N 1.02 5.31 -0.02 0.60 1.01 -0.48 -4.93 121.20 123.70 2d8i s ILE 21 Ca 0.01 0.51 0.06 0.00 0.00 0.00 0.00 60.65 61.24 2d8i s ILE 21 Cb -0.20 -3.62 -0.01 0.00 0.01 0.00 0.00 42.46 38.64 2d8i s ILE 21 CO -0.06 0.38 -0.22 -1.61 0.00 0.00 0.00 174.94 173.43 2d8i s GLU 22 N 0.57 1.83 0.21 2.79 8.01 -1.26 -1.53 118.70 129.32 2d8i s GLU 22 Ca 0.15 -0.77 0.09 0.00 0.01 0.00 0.00 54.97 54.45 2d8i s GLU 22 Cb -0.13 -1.73 -0.04 0.00 -4.31 0.00 0.00 34.13 27.92 2d8i s GLU 22 CO 0.04 0.44 -0.03 0.15 0.01 0.00 0.00 175.26 175.87 2d8i s LYS 23 N -0.43 2.26 -0.01 1.61 1.02 0.13 -4.99 119.74 119.32 2d8i s LYS 23 Ca 0.06 -1.27 -0.21 0.00 0.02 0.00 0.00 55.97 54.57 2d8i s LYS 23 Cb -0.09 -2.22 -0.24 0.00 -0.52 0.00 0.00 37.83 34.76 2d8i s LYS 23 CO -0.00 0.41 1.07 1.03 -0.92 0.00 0.00 175.35 176.94 2d8i h SER 24 N 2.44 0.44 -5.01 2.83 0.87 -1.97 -3.47 113.55 109.69 2d8i h SER 24 Ca -0.46 -0.77 -0.16 0.00 -1.23 0.00 0.00 61.79 59.17 2d8i h SER 24 Cb 1.22 -0.14 -0.15 0.00 -0.44 0.00 0.00 62.40 62.89 2d8i h SER 24 CO 0.58 1.16 -0.69 -1.81 -0.53 0.00 0.00 176.83 175.54 2d8i s ASP 25 N -6.63 0.71 -0.38 6.23 1.11 -1.26 -5.07 116.67 111.38 2d8i s ASP 25 Ca -0.14 -0.98 0.05 0.00 0.18 0.00 0.00 52.55 51.66 2d8i s ASP 25 Cb 0.03 0.16 0.44 0.00 1.07 0.00 0.00 42.92 44.62 2d8i s ASP 25 CO 0.80 -0.54 1.27 0.35 1.18 0.00 0.00 175.17 178.23 2d8i n THR 26 N 0.12 2.62 0.00 -1.27 -2.24 -1.26 -4.21 114.28 108.04 2d8i n THR 26 Ca -0.14 -4.31 0.00 0.00 -2.27 0.00 0.00 64.05 57.33 2d8i n THR 26 Cb 0.61 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 2d8i n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2d8i n ALA 27 N -0.66 2.28 -0.03 6.98 0.00 -1.26 -4.93 120.51 122.89 2d8i n ALA 27 Ca 0.45 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.84 2d8i n ALA 27 Cb 0.84 0.38 -0.03 0.00 0.00 0.00 0.00 19.45 20.64 2d8i n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d8i n ALA 28 N -2.44 1.89 -2.41 0.00 0.00 -1.26 -5.01 120.51 111.29 2d8i n ALA 28 Ca 0.00 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.75 2d8i n ALA 28 Cb 0.38 0.35 -0.03 0.00 0.00 0.00 0.00 19.45 20.15 2d8i n ALA 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2d8i s ASP 29 N -4.67 7.17 -0.04 0.00 1.01 -1.26 -5.04 116.67 113.84 2d8i s ASP 29 Ca -0.09 1.96 0.01 0.00 0.71 0.00 0.00 52.55 55.14 2d8i s ASP 29 Cb 0.02 -2.58 0.02 0.00 1.01 0.00 0.00 42.92 41.39 2d8i s ASP 29 CO 0.15 -0.38 -0.04 0.28 0.21 0.00 0.00 175.17 175.39 2d8i s THR 30 N 0.80 0.48 0.23 -1.27 -1.32 -1.26 -4.63 115.64 108.67 2d8i s THR 30 Ca 0.56 -0.08 0.02 0.00 -1.21 0.00 0.00 61.69 60.97 2d8i s THR 30 Cb -0.28 -0.52 0.31 0.00 -1.51 0.00 0.00 72.50 70.51 2d8i s THR 30 CO 0.30 0.21 1.16 -1.22 -2.21 0.00 0.00 174.62 172.86 2d8i n TYR 31 N 4.08 0.49 0.00 9.09 4.01 -1.26 -4.74 117.16 128.82 2d8i n TYR 31 Ca -0.25 0.89 0.00 0.00 -0.16 0.00 0.00 57.90 58.38 2d8i n TYR 31 Cb 0.51 -1.06 0.00 0.00 -0.31 0.00 0.00 39.34 38.47 2d8i n TYR 31 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2d8i n GLY 32 N -1.36 3.30 3.65 2.72 0.00 -1.26 -4.35 105.19 107.88 2d8i n GLY 32 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.19 3.28 0.41 1.61 -0.12 -1.26 -3.78 117.98 115.93 2d8i s PHE 33 Ca 0.00 0.12 0.08 0.00 -0.05 0.00 0.00 56.93 57.07 2d8i s PHE 33 Cb 0.00 -2.08 -0.03 0.00 -0.63 0.00 0.00 43.02 40.28 2d8i s PHE 33 CO 0.00 0.19 0.32 -1.54 -0.05 0.00 0.00 175.22 174.14 2d8i s SER 34 N 0.33 4.89 -0.05 1.98 1.04 -1.21 -4.99 113.70 115.68 2d8i s SER 34 Ca 0.04 -0.83 0.04 0.00 0.48 0.00 0.00 55.95 55.69 2d8i s SER 34 Cb -0.12 -0.56 -0.00 0.00 0.10 0.00 0.00 66.02 65.44 2d8i s SER 34 CO -0.00 -0.62 -0.18 -0.76 0.98 0.00 0.00 173.24 172.66 2d8i s LEU 35 N -4.07 1.93 -0.22 2.42 1.43 -1.26 -2.60 118.68 116.30 2d8i s LEU 35 Ca 0.46 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 53.16 2d8i s LEU 35 Cb -0.01 -1.05 0.01 0.00 0.03 0.00 0.00 46.19 45.17 2d8i s LEU 35 CO 0.26 0.16 -0.09 -0.55 0.23 0.00 0.00 176.35 176.36 2d8i s SER 36 N 0.09 3.99 0.28 2.29 0.15 0.32 -4.90 113.70 115.92 2d8i s SER 36 Ca -0.06 -0.64 -0.28 0.00 0.70 0.00 0.00 55.95 55.67 2d8i s SER 36 Cb -0.13 -1.64 -0.09 0.00 -1.71 0.00 0.00 66.02 62.45 2d8i s SER 36 CO 0.03 -0.05 0.94 -0.94 1.20 0.00 0.00 173.24 174.42 2d8i s SER 37 N 1.37 7.49 -0.05 5.45 1.04 -1.26 -1.39 113.70 126.35 2d8i s SER 37 Ca 0.04 1.90 -0.03 0.00 0.48 0.00 0.00 55.95 58.33 2d8i s SER 37 Cb -0.15 -2.59 0.02 0.00 0.10 0.00 0.00 66.02 63.40 2d8i s SER 37 CO -0.06 0.04 0.12 -0.69 0.98 0.00 0.00 173.24 173.63 2d8i s VAL 38 N -1.40 -0.02 -0.22 5.02 1.01 0.99 -4.99 120.40 120.79 2d8i s VAL 38 Ca 0.46 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.47 2d8i s VAL 38 Cb -0.22 -0.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.95 2d8i s VAL 38 CO 0.28 0.04 0.01 -0.70 0.00 0.00 0.00 175.10 174.73 2d8i s GLU 39 N 0.58 3.57 -0.31 2.72 2.12 -1.26 -0.08 118.70 126.04 2d8i s GLU 39 Ca -0.04 -0.53 0.02 0.00 0.36 0.00 0.00 54.97 54.78 2d8i s GLU 39 Cb -0.06 -3.13 0.09 0.00 0.26 0.00 0.00 34.13 31.29 2d8i s GLU 39 CO -0.03 -0.09 0.03 -1.21 -0.54 0.00 0.00 175.26 173.42 2d8i s GLU 40 N 1.28 1.42 -1.36 4.30 2.02 0.59 -4.76 118.70 122.20 2d8i s GLU 40 Ca 0.04 -1.52 -0.08 0.00 0.02 0.00 0.00 54.97 53.43 2d8i s GLU 40 Cb -0.15 -2.83 0.02 0.00 0.10 0.00 0.00 34.13 31.27 2d8i s GLU 40 CO 0.01 -0.86 1.12 -0.25 0.02 0.00 0.00 175.26 175.30 2d8i n ASP 41 N 4.46 -5.32 0.00 -0.19 9.92 -1.26 -1.46 116.55 122.69 2d8i n ASP 41 Ca -0.02 -0.59 0.00 0.00 -0.53 0.00 0.00 54.79 53.65 2d8i n ASP 41 Cb 0.42 -4.87 0.00 0.00 -0.64 0.00 0.00 41.12 36.03 2d8i n ASP 41 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2d8i n GLY 42 N -1.82 2.98 3.58 0.44 0.00 -1.26 -4.99 105.19 104.12 2d8i n GLY 42 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.72 4.10 0.04 -0.61 1.01 -0.54 -5.01 121.20 118.47 2d8i s ILE 43 Ca 0.00 0.88 -0.21 0.00 0.00 0.00 0.00 60.65 61.33 2d8i s ILE 43 Cb 0.00 -4.68 -0.06 0.00 0.01 0.00 0.00 42.46 37.73 2d8i s ILE 43 CO 0.00 -1.26 0.61 -0.60 0.00 0.00 0.00 174.94 173.69 2d8i s ARG 44 N 4.74 4.30 0.14 2.79 3.52 -1.26 -0.30 118.95 132.88 2d8i s ARG 44 Ca 0.42 0.78 -0.06 0.00 -0.13 0.00 0.00 55.73 56.74 2d8i s ARG 44 Cb -0.08 -3.30 -0.02 0.00 -1.56 0.00 0.00 34.95 29.99 2d8i s ARG 44 CO 0.26 0.48 0.20 1.03 -0.81 0.00 0.00 175.30 176.45 2d8i s ARG 45 N -0.59 1.04 0.15 5.12 0.52 0.88 -4.46 118.95 121.62 2d8i s ARG 45 Ca 0.31 -1.23 0.09 0.00 -0.52 0.00 0.00 55.73 54.38 2d8i s ARG 45 Cb -0.19 0.33 -0.04 0.00 0.52 0.00 0.00 34.95 35.57 2d8i s ARG 45 CO 0.19 -0.35 -0.13 -0.51 0.02 0.00 0.00 175.30 174.52 2d8i s LEU 46 N -2.98 2.88 -0.12 2.53 2.01 -1.26 -0.01 118.68 121.73 2d8i s LEU 46 Ca 0.17 -0.57 -0.08 0.00 0.01 0.00 0.00 54.13 53.67 2d8i s LEU 46 Cb 0.05 -1.62 0.04 0.00 0.01 0.00 0.00 46.19 44.67 2d8i s LEU 46 CO -0.01 0.13 0.29 -0.31 1.01 0.00 0.00 176.35 177.47 2d8i s TYR 47 N -1.49 -0.37 -0.18 0.29 2.02 -0.48 -3.30 117.35 113.83 2d8i s TYR 47 Ca 0.22 0.87 -0.29 0.00 -0.37 0.00 0.00 57.07 57.50 2d8i s TYR 47 Cb -0.10 0.11 -0.04 0.00 -0.40 0.00 0.00 41.96 41.54 2d8i s TYR 47 CO 0.13 -0.22 1.73 0.08 -1.57 0.00 0.00 175.55 175.70 2d8i s VAL 48 N 0.81 3.53 -0.06 0.71 1.01 -1.08 -0.52 120.40 124.80 2d8i s VAL 48 Ca -0.05 0.61 -0.05 0.00 0.00 0.00 0.00 61.98 62.48 2d8i s VAL 48 Cb -0.06 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 2d8i s VAL 48 CO -0.05 -0.21 0.24 -1.13 0.00 0.00 0.00 175.10 173.95 2d8i h ASN 49 N 11.11 -0.15 -1.66 3.32 -1.24 -1.85 -2.45 115.58 122.66 2d8i h ASN 49 Ca -0.37 0.01 -0.63 0.00 0.71 0.00 0.00 56.30 56.02 2d8i h ASN 49 Cb 1.17 0.04 -0.13 0.00 0.73 0.00 0.00 38.32 40.14 2d8i h ASN 49 CO 0.99 0.23 -0.60 -0.44 -1.29 0.00 0.00 177.43 176.32 2d8i s SER 50 N -4.83 3.90 -0.05 1.15 0.01 -1.26 -4.70 113.70 107.92 2d8i s SER 50 Ca -0.03 -1.36 -0.06 0.00 1.31 0.00 0.00 55.95 55.82 2d8i s SER 50 Cb 0.00 -0.40 0.01 0.00 0.21 0.00 0.00 66.02 65.84 2d8i s SER 50 CO 0.08 -0.45 0.15 -0.69 0.41 0.00 0.00 173.24 172.74 2d8i s VAL 51 N -2.71 0.02 0.45 3.43 1.01 -1.26 -3.36 120.40 117.98 2d8i s VAL 51 Ca 0.35 -0.14 -0.23 0.00 0.00 0.00 0.00 61.98 61.97 2d8i s VAL 51 Cb 0.10 -0.27 -0.08 0.00 0.00 0.00 0.00 36.38 36.13 2d8i s VAL 51 CO 0.18 -0.07 1.12 -0.75 0.00 0.00 0.00 175.10 175.57 2d8i s LYS 52 N -0.20 3.86 0.13 2.72 2.20 -1.25 -4.85 119.74 122.34 2d8i s LYS 52 Ca -0.03 1.65 -0.30 0.00 -0.36 0.00 0.00 55.97 56.93 2d8i s LYS 52 Cb -0.02 -2.40 -0.06 0.00 -1.51 0.00 0.00 37.83 33.84 2d8i s LYS 52 CO 0.00 -0.44 1.06 -2.00 -0.36 0.00 0.00 175.35 173.61 2d8i s GLU 53 N -2.72 4.60 -0.78 4.03 2.12 -1.26 -3.78 118.70 120.91 2d8i s GLU 53 Ca 0.63 1.61 -0.10 0.00 0.36 0.00 0.00 54.97 57.47 2d8i s GLU 53 Cb -0.25 -3.33 0.10 0.00 0.26 0.00 0.00 34.13 30.90 2d8i s GLU 53 CO 0.31 0.07 0.25 -2.37 -0.54 0.00 0.00 175.26 172.97 2d8i n THR 54 N 2.84 0.00 0.00 -1.70 5.66 -1.26 -4.82 114.28 115.00 2d8i n THR 54 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 2d8i n THR 54 Cb 0.48 -0.21 0.00 0.00 -1.55 0.00 0.00 70.33 69.05 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 -0.68 0.84 0.10 1.09 0.00 -1.25 -4.91 105.19 100.38 2d8i n GLY 55 Ca 0.05 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 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 2.90 0.19 0.99 4.77 -1.26 -4.21 117.00 120.38 2d8i n LEU 56 Ca 0.00 -0.10 -0.14 0.00 -0.03 0.00 0.00 56.01 55.74 2d8i n LEU 56 Cb 0.00 -0.66 -0.08 0.00 -2.33 0.00 0.00 43.42 40.35 2d8i n LEU 56 CO 0.00 0.82 0.61 0.00 -1.33 0.00 0.00 177.39 177.49 2d8i h ALA 57 N 0.02 -0.48 0.27 -1.18 0.00 -1.90 -1.31 119.26 114.68 2d8i h ALA 57 Ca -0.44 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 2d8i h ALA 57 Cb 1.69 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.64 2d8i h ALA 57 CO -0.07 -0.66 -0.34 0.66 0.00 0.00 0.00 179.25 178.85 2d8i h SER 58 N -0.70 -0.95 -1.01 0.00 4.64 -1.78 0.11 113.55 113.84 2d8i h SER 58 Ca -0.05 0.08 0.24 0.00 -0.47 0.00 0.00 61.79 61.60 2d8i h SER 58 Cb 0.49 0.32 -0.11 0.00 -0.31 0.00 0.00 62.40 62.79 2d8i h SER 58 CO 0.08 -0.42 0.62 0.07 -0.87 0.00 0.00 176.83 176.31 2d8i h LYS 59 N -0.62 0.53 0.84 4.77 2.10 -1.73 -1.95 116.57 120.50 2d8i h LYS 59 Ca -0.03 -0.03 -0.04 0.00 -2.00 0.00 0.00 60.65 58.54 2d8i h LYS 59 Cb 0.56 -0.12 0.01 0.00 -0.90 0.00 0.00 32.23 31.78 2d8i h LYS 59 CO -0.08 0.35 -0.40 0.87 -2.00 0.00 0.00 179.45 178.19 2d8i h LYS 60 N 0.55 -1.08 0.00 0.07 1.79 -0.55 -3.47 116.57 113.88 2d8i h LYS 60 Ca 0.61 0.07 0.00 0.00 -2.18 0.00 0.00 60.65 59.16 2d8i h LYS 60 Cb 1.27 0.25 0.00 0.00 -1.58 0.00 0.00 32.23 32.16 2d8i h LYS 60 CO -0.39 -0.72 0.00 0.41 -1.08 0.00 0.00 179.45 177.67 2d8i n GLY 61 N -1.10 0.00 3.50 3.86 0.00 0.22 -5.09 105.19 106.59 2d8i n GLY 61 Ca -0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 2d8i n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d8i s LEU 62 N 0.00 2.75 0.00 0.99 1.43 -0.34 -4.99 118.68 118.51 2d8i s LEU 62 Ca 0.00 -0.61 -0.23 0.00 -1.03 0.00 0.00 54.13 52.26 2d8i s LEU 62 Cb 0.00 -1.52 0.05 0.00 0.03 0.00 0.00 46.19 44.74 2d8i s LEU 62 CO 0.00 0.15 0.50 -0.75 0.23 0.00 0.00 176.35 176.48 2d8i s LYS 63 N -2.44 0.94 -0.76 1.70 2.20 -1.26 -4.21 119.74 115.91 2d8i s LYS 63 Ca 0.21 -0.09 -0.26 0.00 -0.36 0.00 0.00 55.97 55.47 2d8i s LYS 63 Cb -0.10 0.43 -0.07 0.00 -1.51 0.00 0.00 37.83 36.59 2d8i s LYS 63 CO 0.12 -0.30 2.10 0.00 -0.36 0.00 0.00 175.35 176.90 2d8i s ALA 64 N -1.78 1.54 0.00 3.13 0.00 -1.26 -2.95 121.76 120.44 2d8i s ALA 64 Ca -0.09 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 50.92 2d8i s ALA 64 Cb -0.02 -4.48 0.00 0.00 0.00 0.00 0.00 23.12 18.63 2d8i s ALA 64 CO 0.03 -4.83 0.00 0.41 0.00 0.00 0.00 175.76 171.38 2d8i n GLY 65 N 6.47 0.45 3.83 0.00 0.00 -0.92 -5.01 105.19 110.01 2d8i n GLY 65 Ca 0.37 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.15 2d8i n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2d8i s ASP 66 N -0.51 4.70 -0.14 1.61 1.11 -1.15 -4.94 116.67 117.35 2d8i s ASP 66 Ca 0.00 -1.00 0.01 0.00 0.18 0.00 0.00 52.55 51.74 2d8i s ASP 66 Cb 0.00 -0.29 0.02 0.00 1.07 0.00 0.00 42.92 43.72 2d8i s ASP 66 CO 0.00 -0.72 -0.15 -0.70 1.18 0.00 0.00 175.17 174.78 2d8i s GLU 67 N -4.07 2.40 -0.17 8.23 2.12 -1.26 -2.62 118.70 123.31 2d8i s GLU 67 Ca 0.42 -0.60 -0.23 0.00 0.36 0.00 0.00 54.97 54.92 2d8i s GLU 67 Cb -0.00 -2.13 -0.02 0.00 0.26 0.00 0.00 34.13 32.24 2d8i s GLU 67 CO 0.24 -0.18 0.71 0.42 -0.54 0.00 0.00 175.26 175.91 2d8i s ILE 68 N 1.32 4.97 -0.02 -3.70 -1.09 -1.21 -4.59 121.20 116.88 2d8i s ILE 68 Ca 0.02 1.37 -0.13 0.00 -2.23 0.00 0.00 60.65 59.68 2d8i s ILE 68 Cb -0.13 -4.02 -0.33 0.00 -1.58 0.00 0.00 42.46 36.40 2d8i s ILE 68 CO -0.08 0.09 0.78 -0.07 -1.23 0.00 0.00 174.94 174.43 2d8i h LEU 69 N 8.11 0.70 -7.58 2.97 3.38 -1.53 -3.41 115.31 117.95 2d8i h LEU 69 Ca -0.31 -0.93 -0.08 0.00 0.09 0.00 0.00 57.88 56.64 2d8i h LEU 69 Cb 1.14 -0.23 -0.15 0.00 0.09 0.00 0.00 40.66 41.51 2d8i h LEU 69 CO 0.80 1.77 -0.24 -1.61 0.09 0.00 0.00 178.44 179.24 2d8i s GLU 70 N -2.59 0.87 -0.18 1.13 2.02 -1.24 -3.73 118.70 114.98 2d8i s GLU 70 Ca -0.14 -0.66 -0.04 0.00 0.02 0.00 0.00 54.97 54.16 2d8i s GLU 70 Cb 0.05 0.37 0.06 0.00 0.10 0.00 0.00 34.13 34.71 2d8i s GLU 70 CO 0.89 -0.29 0.07 0.42 0.02 0.00 0.00 175.26 176.36 2d8i s ILE 71 N -3.13 0.18 -1.18 -1.63 1.01 0.24 -1.92 121.20 114.77 2d8i s ILE 71 Ca -0.01 -0.34 -0.04 0.00 0.00 0.00 0.00 60.65 60.25 2d8i s ILE 71 Cb 0.01 -0.78 0.00 0.00 0.01 0.00 0.00 42.46 41.71 2d8i s ILE 71 CO -0.07 -0.25 1.01 0.59 0.00 0.00 0.00 174.94 176.21 2d8i n ASN 72 N 5.18 -4.17 -2.70 3.58 4.13 -0.37 -2.34 115.26 118.57 2d8i n ASN 72 Ca -0.08 -0.53 -0.19 0.00 1.68 0.00 0.00 54.58 55.46 2d8i n ASN 72 Cb 0.48 -4.70 0.04 0.00 -1.54 0.00 0.00 39.78 34.07 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 -2.79 -5.43 -3.93 6.41 4.13 -1.26 -5.01 115.26 107.38 2d8i n ASN 73 Ca -0.12 -0.31 -0.12 0.00 1.68 0.00 0.00 54.58 55.71 2d8i n ASN 73 Cb 0.60 -4.19 -0.13 0.00 -1.54 0.00 0.00 39.78 34.52 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 -5.70 0.22 -0.08 3.52 1.81 -0.99 -5.12 118.95 112.61 2d8i s ARG 74 Ca 0.33 -0.25 -0.30 0.00 -1.72 0.00 0.00 55.73 53.80 2d8i s ARG 74 Cb -0.15 -0.10 -0.04 0.00 -0.45 0.00 0.00 34.95 34.21 2d8i s ARG 74 CO 0.41 0.02 1.42 0.00 -0.68 0.00 0.00 175.30 176.48 2d8i s ALA 75 N -0.48 3.62 0.19 2.13 0.00 -1.26 -0.59 121.76 125.37 2d8i s ALA 75 Ca -0.04 0.73 -0.13 0.00 0.00 0.00 0.00 51.96 52.52 2d8i s ALA 75 Cb -0.04 -3.65 0.21 0.00 0.00 0.00 0.00 23.12 19.64 2d8i s ALA 75 CO -0.00 -1.16 1.69 0.00 0.00 0.00 0.00 175.76 176.28 2d8i h ALA 76 N 8.51 0.51 -0.60 0.00 0.00 -1.87 0.90 119.26 126.71 2d8i h ALA 76 Ca -0.34 0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.80 2d8i h ALA 76 Cb 1.15 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 2d8i h ALA 76 CO 0.94 -0.37 0.40 0.38 0.00 0.00 0.00 179.25 180.60 2d8i h ASP 77 N 0.14 0.41 0.61 0.00 2.03 -1.88 -0.10 116.42 117.64 2d8i h ASP 77 Ca 0.26 0.01 -0.13 0.00 -0.73 0.00 0.00 57.03 56.44 2d8i h ASP 77 Cb 0.40 -0.08 -0.02 0.00 -0.83 0.00 0.00 39.33 38.80 2d8i h ASP 77 CO -0.42 0.25 -0.61 0.00 -1.03 0.00 0.00 179.24 177.43 2d8i h ALA 78 N 1.69 0.99 -2.66 4.15 0.00 -1.24 -3.44 119.26 118.75 2d8i h ALA 78 Ca 0.27 -0.56 -0.54 0.00 0.00 0.00 0.00 54.91 54.08 2d8i h ALA 78 Cb 0.46 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2d8i h ALA 78 CO -0.08 0.76 0.17 -0.51 0.00 0.00 0.00 179.25 179.60 2d8i s LEU 79 N -7.62 4.46 0.37 0.00 1.43 -0.05 -5.04 118.68 112.23 2d8i s LEU 79 Ca -0.01 1.48 0.07 0.00 -1.03 0.00 0.00 54.13 54.64 2d8i s LEU 79 Cb 0.13 -3.25 -0.01 0.00 0.03 0.00 0.00 46.19 43.09 2d8i s LEU 79 CO 0.76 0.02 0.44 0.20 0.23 0.00 0.00 176.35 178.00 2d8i s ASN 80 N -0.13 5.56 0.35 2.29 0.01 -1.26 -4.85 114.94 116.92 2d8i s ASN 80 Ca 0.39 -0.42 0.15 0.00 -0.71 0.00 0.00 52.86 52.27 2d8i s ASN 80 Cb -0.21 -0.91 1.16 0.00 0.41 0.00 0.00 41.25 41.71 2d8i s ASN 80 CO 0.23 -0.54 1.58 0.28 -1.51 0.00 0.00 177.10 177.15 2d8i h SER 81 N 0.94 0.11 0.88 -1.22 0.02 -1.97 0.14 113.55 112.45 2d8i h SER 81 Ca -0.43 0.26 -0.04 0.00 -0.84 0.00 0.00 61.79 60.73 2d8i h SER 81 Cb 1.26 0.32 0.01 0.00 0.14 0.00 0.00 62.40 64.13 2d8i h SER 81 CO 0.53 -0.39 -0.42 0.28 -1.14 0.00 0.00 176.83 175.69 2d8i h SER 82 N 0.03 -1.00 -0.31 3.07 0.02 -2.00 -1.87 113.55 111.49 2d8i h SER 82 Ca 0.77 0.03 0.07 0.00 -0.84 0.00 0.00 61.79 61.82 2d8i h SER 82 Cb 1.92 0.26 -0.07 0.00 0.14 0.00 0.00 62.40 64.64 2d8i h SER 82 CO -0.80 -0.66 -0.19 0.24 -1.14 0.00 0.00 176.83 174.28 2d8i h MET 83 N -1.29 -0.15 -0.16 3.45 2.86 -1.20 -2.44 114.93 116.00 2d8i h MET 83 Ca -0.12 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.58 2d8i h MET 83 Cb 0.91 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.53 2d8i h MET 83 CO 0.20 -0.10 -0.42 -0.07 1.06 0.00 0.00 176.91 177.57 2d8i h LEU 84 N -0.16 -1.34 -0.89 1.22 3.38 -0.97 -1.27 115.31 115.28 2d8i h LEU 84 Ca 0.16 0.18 0.21 0.00 0.09 0.00 0.00 57.88 58.53 2d8i h LEU 84 Cb 0.41 0.55 -0.17 0.00 0.09 0.00 0.00 40.66 41.54 2d8i h LEU 84 CO -0.41 -0.42 -0.09 1.17 0.09 0.00 0.00 178.44 178.78 2d8i n LYS 85 N -5.43 -0.07 0.05 1.13 4.81 -0.71 0.66 118.16 118.60 2d8i n LYS 85 Ca -0.04 1.35 -0.13 0.00 -0.87 0.00 0.00 58.31 58.63 2d8i n LYS 85 Cb 0.36 -2.09 -0.08 0.00 0.02 0.00 0.00 35.03 33.24 2d8i n LYS 85 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2d8i h ASP 86 N 0.00 -0.05 -0.83 3.14 3.32 -1.14 -2.04 116.42 118.82 2d8i h ASP 86 Ca 0.49 -0.09 0.18 0.00 0.02 0.00 0.00 57.03 57.63 2d8i h ASP 86 Cb 0.91 0.01 -0.11 0.00 0.22 0.00 0.00 39.33 40.36 2d8i h ASP 86 CO -0.87 0.05 0.34 -0.26 -1.72 0.00 0.00 179.24 176.78 2d8i h PHE 87 N -0.16 0.57 0.00 4.55 0.04 0.72 0.48 116.94 123.15 2d8i h PHE 87 Ca -0.01 0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.74 2d8i h PHE 87 Cb 0.14 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 2d8i h PHE 87 CO -0.04 0.00 -0.29 -0.07 -0.60 0.00 0.00 178.31 177.31 2d8i h LEU 88 N 0.42 0.00 -3.02 1.54 3.38 -0.98 -2.87 115.31 113.79 2d8i h LEU 88 Ca 0.49 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.22 2d8i h LEU 88 Cb 0.84 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.46 2d8i h LEU 88 CO -0.47 0.29 0.30 -1.20 0.09 0.00 0.00 178.44 177.45 2d8i n SER 89 N -3.65 4.26 -4.33 -0.43 7.64 0.17 -4.78 113.62 112.50 2d8i n SER 89 Ca -0.01 -2.77 -0.26 0.00 1.01 0.00 0.00 58.87 56.84 2d8i n SER 89 Cb 0.41 -0.78 -0.13 0.00 -1.01 0.00 0.00 64.21 62.71 2d8i n SER 89 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2d8i s GLN 90 N -1.44 1.25 0.37 1.43 -0.21 -1.08 -5.01 119.66 114.97 2d8i s GLN 90 Ca 0.25 -1.26 0.16 0.00 0.02 0.00 0.00 55.36 54.53 2d8i s GLN 90 Cb 0.20 -1.60 0.72 0.00 1.00 0.00 0.00 33.01 33.34 2d8i s GLN 90 CO 0.03 0.37 1.78 -1.00 -2.12 0.00 0.00 175.29 174.35 2d8i h PRO 91 N 3.93 0.00 -5.40 2.91 0.13 -1.89 -3.44 132.00 128.24 2d8i h PRO 91 Ca -0.48 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.10 2d8i h PRO 91 Cb 1.18 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.00 2d8i h PRO 91 CO 0.40 0.39 -0.83 -1.54 -0.23 0.00 0.00 178.00 176.19 2d8i s SER 92 N -6.65 2.07 -0.10 1.44 1.04 -1.26 0.21 113.70 110.45 2d8i s SER 92 Ca -0.01 -0.33 -0.06 0.00 0.48 0.00 0.00 55.95 56.03 2d8i s SER 92 Cb 0.13 -0.45 0.04 0.00 0.10 0.00 0.00 66.02 65.84 2d8i s SER 92 CO 0.70 0.17 0.24 -0.76 0.98 0.00 0.00 173.24 174.57 2d8i s LEU 93 N -0.12 0.60 -0.49 2.42 1.43 -0.58 -5.00 118.68 116.93 2d8i s LEU 93 Ca 0.00 0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 53.58 2d8i s LEU 93 Cb -0.10 0.74 0.13 0.00 0.03 0.00 0.00 46.19 47.00 2d8i s LEU 93 CO 0.01 -0.14 0.29 -0.83 0.23 0.00 0.00 176.35 175.91 2d8i s GLY 94 N 0.97 2.21 -0.00 -3.19 0.00 -1.26 -1.39 107.32 104.66 2d8i s GLY 94 Ca -0.07 -2.86 -0.14 0.00 0.00 0.00 0.00 44.72 41.65 2d8i s GLY 94 CO -0.06 1.05 0.40 1.08 0.00 0.00 0.00 173.10 175.57 2d8i s LEU 95 N 0.59 4.47 -0.39 0.66 1.43 -0.10 -1.23 118.68 124.11 2d8i s LEU 95 Ca 0.12 0.94 -0.05 0.00 -1.03 0.00 0.00 54.13 54.12 2d8i s LEU 95 Cb -0.22 -2.57 0.09 0.00 0.03 0.00 0.00 46.19 43.52 2d8i s LEU 95 CO -0.04 0.33 0.18 -0.22 0.23 0.00 0.00 176.35 176.83 2d8i s LEU 96 N -1.09 4.99 0.31 1.79 2.96 -0.81 -1.55 118.68 125.27 2d8i s LEU 96 Ca 0.24 -1.74 0.11 0.00 -0.22 0.00 0.00 54.13 52.51 2d8i s LEU 96 Cb -0.16 -1.86 -0.06 0.00 0.50 0.00 0.00 46.19 44.61 2d8i s LEU 96 CO 0.13 -0.49 -0.12 0.68 -1.32 0.00 0.00 176.35 175.23 2d8i s VAL 97 N 1.25 2.49 -0.06 1.68 -7.23 -1.13 -1.21 120.40 116.19 2d8i s VAL 97 Ca 0.04 -2.24 -0.01 0.00 -1.81 0.00 0.00 61.98 57.96 2d8i s VAL 97 Cb -0.22 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.15 2d8i s VAL 97 CO -0.02 -0.30 0.02 -0.13 -0.31 0.00 0.00 175.10 174.36 2d8i s ARG 98 N -3.58 2.96 0.18 4.82 0.52 -1.26 -0.80 118.95 121.79 2d8i s ARG 98 Ca 0.32 -0.45 -0.03 0.00 -0.52 0.00 0.00 55.73 55.05 2d8i s ARG 98 Cb -0.02 -2.79 -0.03 0.00 0.52 0.00 0.00 34.95 32.63 2d8i s ARG 98 CO 0.16 0.68 0.14 -0.08 0.02 0.00 0.00 175.30 176.23 2d8i s THR 99 N -0.97 0.04 0.08 0.02 -1.32 0.23 -4.89 115.64 108.82 2d8i s THR 99 Ca 0.16 -1.88 -0.26 0.00 -1.21 0.00 0.00 61.69 58.50 2d8i s THR 99 Cb -0.11 -2.28 -0.06 0.00 -1.51 0.00 0.00 72.50 68.54 2d8i s THR 99 CO 0.06 -0.18 0.81 -0.31 -2.21 0.00 0.00 174.62 172.79 2d8i s TYR 100 N -4.10 3.78 0.08 9.09 2.02 -1.26 -0.17 117.35 126.80 2d8i s TYR 100 Ca 0.31 1.57 -0.31 0.00 -0.37 0.00 0.00 57.07 58.28 2d8i s TYR 100 Cb 0.06 -2.86 -0.07 0.00 -0.40 0.00 0.00 41.96 38.69 2d8i s TYR 100 CO 0.07 0.30 1.38 -1.25 -1.57 0.00 0.00 175.55 174.49 2d8i s PRO 101 N -0.23 4.32 0.16 -1.71 0.04 -1.26 -4.95 135.00 131.37 2d8i s PRO 101 Ca 0.40 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.53 2d8i s PRO 101 Cb -0.22 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 2d8i s PRO 101 CO 0.25 -0.46 -0.15 -1.21 0.04 0.00 0.00 177.00 175.47 2d8i s GLU 102 N 1.46 1.17 0.00 4.56 2.02 -1.26 -4.81 118.70 121.84 2d8i s GLU 102 Ca 0.64 -1.40 0.29 0.00 0.02 0.00 0.00 54.97 54.52 2d8i s GLU 102 Cb -0.35 -1.04 1.17 0.00 0.10 0.00 0.00 34.13 34.01 2d8i s GLU 102 CO 0.29 0.19 1.87 1.28 0.02 0.00 0.00 175.26 178.91 2d8i n LEU 103 N 0.15 0.08 -3.98 1.80 7.99 -1.26 -4.58 117.00 117.20 2d8i n LEU 103 Ca -0.12 0.40 -0.31 0.00 -0.01 0.00 0.00 56.01 55.97 2d8i n LEU 103 Cb 0.58 -0.44 -0.15 0.00 -0.11 0.00 0.00 43.42 43.30 2d8i n LEU 103 CO 0.30 0.02 -0.38 -0.70 -1.51 0.00 0.00 177.39 175.12 2d8i s GLU 104 N -2.95 1.61 -0.11 3.23 2.56 -1.26 -5.08 118.70 116.70 2d8i s GLU 104 Ca 0.15 -1.43 -0.04 0.00 0.00 0.00 0.00 54.97 53.66 2d8i s GLU 104 Cb 0.19 -2.83 0.06 0.00 2.00 0.00 0.00 34.13 33.55 2d8i s GLU 104 CO 0.54 -0.77 0.19 -1.83 -0.56 0.00 0.00 175.26 172.83 2d8i s GLU 105 N 1.16 0.08 0.00 4.30 4.04 -1.26 -5.13 118.70 121.89 2d8i s GLU 105 Ca 0.02 0.55 0.00 0.00 0.04 0.00 0.00 54.97 55.58 2d8i s GLU 105 Cb -0.19 -0.36 0.00 0.00 0.02 0.00 0.00 34.13 33.60 2d8i s GLU 105 CO -0.09 -0.35 0.00 0.41 -1.84 0.00 0.00 175.26 173.39 2d8i n GLY 106 N 5.33 1.20 3.05 -3.83 0.00 -1.26 -5.17 105.19 104.51 2d8i n GLY 106 Ca -0.05 -0.37 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.33 0.78 -0.08 1.61 0.11 -1.24 -4.78 120.40 115.47 2d8i s VAL 107 Ca 0.00 -0.61 -0.30 0.00 -2.93 0.00 0.00 61.98 58.15 2d8i s VAL 107 Cb 0.00 -0.69 0.10 0.00 -1.53 0.00 0.00 36.38 34.26 2d8i s VAL 107 CO 0.00 0.09 0.85 -0.70 -3.33 0.00 0.00 175.10 172.00 2d8i s GLU 108 N -0.59 0.83 0.83 1.54 2.12 -1.09 -4.79 118.70 117.55 2d8i s GLU 108 Ca 0.01 0.07 -0.13 0.00 0.36 0.00 0.00 54.97 55.29 2d8i s GLU 108 Cb -0.05 0.39 0.08 0.00 0.26 0.00 0.00 34.13 34.81 2d8i s GLU 108 CO 0.00 -0.29 1.09 0.45 -0.54 0.00 0.00 175.26 175.97 2d8i n SER 109 N 0.56 0.53 0.00 -1.70 2.88 -1.26 -3.90 113.62 110.73 2d8i n SER 109 Ca -0.13 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 2d8i n SER 109 Cb 0.59 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 2d8i n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d8i n GLY 110 N 0.65 1.57 3.56 0.46 0.00 -1.26 -4.40 105.19 105.78 2d8i n GLY 110 Ca 0.13 -2.01 -0.27 0.00 0.00 0.00 0.00 46.02 43.87 2d8i n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d8i s PRO 111 N -2.07 2.55 -1.45 1.61 0.04 -1.26 -3.68 135.00 130.73 2d8i s PRO 111 Ca 0.00 -0.30 -0.09 0.00 0.04 0.00 0.00 61.00 60.64 2d8i s PRO 111 Cb 0.00 -5.07 0.05 0.00 0.04 0.00 0.00 34.50 29.53 2d8i s PRO 111 CO 0.00 -3.39 0.90 0.43 0.04 0.00 0.00 177.00 174.97 2d8i n SER 112 N 14.01 -3.68 0.01 6.66 7.64 -1.26 -4.91 113.62 132.09 2d8i n SER 112 Ca 0.40 -0.78 -0.09 0.00 1.01 0.00 0.00 58.87 59.41 2d8i n SER 112 Cb 0.47 -3.98 -0.07 0.00 -1.01 0.00 0.00 64.21 59.62 2d8i n SER 112 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2d8i h SER 113 N -2.05 -0.12 -0.01 6.43 0.02 -1.77 -3.51 113.55 112.55 2d8i h SER 113 Ca -0.59 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 59.97 2d8i h SER 113 Cb 1.37 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.94 2d8i h SER 113 CO 0.63 0.51 0.00 0.61 -1.14 0.00 0.00 176.83 177.44