#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 7.24 -0.14 1.61 0.15 -1.26 -4.98 113.70 116.31 2d8i s SER 2 Ca 0.00 1.47 -0.38 0.00 0.70 0.00 0.00 55.95 57.73 2d8i s SER 2 Cb 0.00 -2.44 -0.15 0.00 -1.71 0.00 0.00 66.02 61.72 2d8i s SER 2 CO 0.00 0.19 1.67 -1.20 1.20 0.00 0.00 173.24 175.10 2d8i n SER 3 N 1.93 2.45 -4.35 5.45 7.64 -1.26 -4.85 113.62 120.63 2d8i n SER 3 Ca -0.07 1.07 -0.37 0.00 1.01 0.00 0.00 58.87 60.51 2d8i n SER 3 Cb 0.50 -1.21 0.04 0.00 -1.01 0.00 0.00 64.21 62.54 2d8i n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d8i n GLY 4 N 3.83 -2.37 0.40 0.23 0.00 -1.26 -4.85 105.19 101.18 2d8i n GLY 4 Ca 0.24 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 2d8i n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2d8i h SER 5 N -0.26 -1.52 -1.62 1.61 0.02 -2.06 -3.39 113.55 106.32 2d8i h SER 5 Ca -0.44 0.23 -0.72 0.00 -0.84 0.00 0.00 61.79 60.02 2d8i h SER 5 Cb 1.38 0.67 0.02 0.00 0.14 0.00 0.00 62.40 64.60 2d8i h SER 5 CO 0.41 -0.36 0.93 -0.24 -1.14 0.00 0.00 176.83 176.43 2d8i n SER 6 N -5.40 2.55 -2.55 3.07 2.88 -1.26 -4.89 113.62 108.02 2d8i n SER 6 Ca 0.00 1.06 -0.05 0.00 -1.33 0.00 0.00 58.87 58.55 2d8i n SER 6 Cb 0.35 -1.18 0.02 0.00 -0.75 0.00 0.00 64.21 62.65 2d8i n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d8i n GLY 7 N 4.22 1.04 3.73 0.46 0.00 -1.26 -5.12 105.19 108.26 2d8i n GLY 7 Ca 0.26 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.06 4.39 0.21 1.61 2.02 -1.26 -5.03 118.70 118.58 2d8i s GLU 8 Ca 0.14 1.99 0.05 0.00 0.02 0.00 0.00 54.97 57.17 2d8i s GLU 8 Cb -0.03 -3.24 -0.03 0.00 0.10 0.00 0.00 34.13 30.92 2d8i s GLU 8 CO 0.08 -0.28 0.27 0.96 0.02 0.00 0.00 175.26 176.31 2d8i s ILE 9 N 0.51 4.99 0.16 -1.63 -4.36 -1.26 -5.13 121.20 114.48 2d8i s ILE 9 Ca 0.59 -1.02 0.01 0.00 -0.26 0.00 0.00 60.65 59.97 2d8i s ILE 9 Cb -0.35 -3.65 -0.04 0.00 1.25 0.00 0.00 42.46 39.67 2d8i s ILE 9 CO 0.34 -0.24 0.02 -1.61 0.24 0.00 0.00 174.94 173.69 2d8i s GLU 10 N -3.63 1.06 0.09 0.37 2.02 -1.26 -5.05 118.70 112.30 2d8i s GLU 10 Ca 0.33 -1.51 0.17 0.00 0.02 0.00 0.00 54.97 53.98 2d8i s GLU 10 Cb -0.09 -0.11 -0.11 0.00 0.10 0.00 0.00 34.13 33.92 2d8i s GLU 10 CO 0.27 -0.18 0.90 0.82 0.02 0.00 0.00 175.26 177.10 2d8i h ILE 11 N 2.74 0.48 0.29 -1.63 2.04 -1.99 -3.38 117.51 116.06 2d8i h ILE 11 Ca -0.36 -1.92 -0.00 0.00 1.00 0.00 0.00 64.86 63.58 2d8i h ILE 11 Cb 1.20 2.02 -0.03 0.00 -0.74 0.00 0.00 36.82 39.27 2d8i h ILE 11 CO 0.62 0.28 -0.49 0.00 0.00 0.00 0.00 178.15 178.55 2d8i n PRO 13 N -5.30 -2.73 -3.31 0.00 -0.04 -1.26 -5.01 135.00 117.33 2d8i n PRO 13 Ca -0.10 -1.40 -0.21 0.00 -0.04 0.00 0.00 63.50 61.76 2d8i n PRO 13 Cb 0.41 -1.31 0.02 0.00 -0.04 0.00 0.00 33.50 32.58 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 -4.98 2.43 0.20 0.54 -0.14 -1.26 -4.47 119.74 112.05 2d8i s LYS 14 Ca 0.57 -1.64 0.04 0.00 -1.36 0.00 0.00 55.97 53.58 2d8i s LYS 14 Cb -0.06 -2.50 -0.05 0.00 -1.68 0.00 0.00 37.83 33.55 2d8i s LYS 14 CO 0.44 -0.59 -0.05 0.14 -0.76 0.00 0.00 175.35 174.53 2d8i s VAL 15 N -2.60 1.14 -0.15 3.17 -7.23 0.04 -4.92 120.40 109.85 2d8i s VAL 15 Ca 0.52 -2.06 -0.16 0.00 -1.81 0.00 0.00 61.98 58.48 2d8i s VAL 15 Cb -0.05 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 2d8i s VAL 15 CO 0.32 -0.49 0.37 0.42 -0.31 0.00 0.00 175.10 175.41 2d8i s THR 16 N -3.35 5.25 -0.13 5.32 -4.23 -1.26 -0.90 115.64 116.34 2d8i s THR 16 Ca 0.24 0.71 0.01 0.00 -1.18 0.00 0.00 61.69 61.47 2d8i s THR 16 Cb 0.04 -3.71 -0.00 0.00 1.34 0.00 0.00 72.50 70.17 2d8i s THR 16 CO 0.06 0.35 -0.18 -1.58 -0.54 0.00 0.00 174.62 172.73 2d8i s GLN 17 N 0.64 3.20 -0.21 3.99 0.74 -0.48 -4.92 119.66 122.61 2d8i s GLN 17 Ca 0.20 -0.78 -0.18 0.00 0.05 0.00 0.00 55.36 54.65 2d8i s GLN 17 Cb -0.14 -2.52 -0.03 0.00 1.10 0.00 0.00 33.01 31.42 2d8i s GLN 17 CO 0.07 0.11 0.51 -1.54 -0.55 0.00 0.00 175.29 173.89 2d8i s SER 18 N 0.56 6.54 -0.23 6.67 1.04 -1.26 -2.78 113.70 124.24 2d8i s SER 18 Ca -0.11 0.65 -0.00 0.00 0.48 0.00 0.00 55.95 56.97 2d8i s SER 18 Cb -0.16 -2.29 0.06 0.00 0.10 0.00 0.00 66.02 63.73 2d8i s SER 18 CO 0.04 -0.19 -0.03 -0.63 0.98 0.00 0.00 173.24 173.40 2d8i s ILE 19 N 1.73 1.31 -0.16 -1.02 1.01 -1.04 -5.05 121.20 117.98 2d8i s ILE 19 Ca 0.23 -1.08 -0.01 0.00 0.00 0.00 0.00 60.65 59.80 2d8i s ILE 19 Cb -0.15 -1.63 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 2d8i s ILE 19 CO 0.09 -0.13 -0.12 -1.38 0.00 0.00 0.00 174.94 173.40 2d8i s HIS 20 N 1.49 2.83 0.06 3.97 -3.43 -1.26 -0.96 115.29 117.99 2d8i s HIS 20 Ca -0.05 -0.92 0.01 0.00 -0.80 0.00 0.00 55.06 53.30 2d8i s HIS 20 Cb -0.18 -1.92 -0.04 0.00 -1.43 0.00 0.00 32.58 29.00 2d8i s HIS 20 CO -0.07 -0.42 0.14 0.42 -2.00 0.00 0.00 174.74 172.82 2d8i s ILE 21 N 0.83 4.99 -0.17 -5.38 1.01 0.12 -4.95 121.20 117.65 2d8i s ILE 21 Ca -0.04 -0.53 -0.05 0.00 0.00 0.00 0.00 60.65 60.03 2d8i s ILE 21 Cb -0.15 -3.40 0.08 0.00 0.01 0.00 0.00 42.46 39.00 2d8i s ILE 21 CO 0.00 0.16 0.30 -1.61 0.00 0.00 0.00 174.94 173.80 2d8i s GLU 22 N -2.36 0.21 -0.03 2.79 2.02 -1.25 -0.65 118.70 119.43 2d8i s GLU 22 Ca 0.31 0.71 -0.06 0.00 0.02 0.00 0.00 54.97 55.94 2d8i s GLU 22 Cb -0.13 -0.17 -0.04 0.00 0.10 0.00 0.00 34.13 33.89 2d8i s GLU 22 CO 0.24 -0.37 0.23 0.15 0.02 0.00 0.00 175.26 175.52 2d8i s LYS 23 N 2.46 3.54 0.11 1.61 1.02 0.47 -4.98 119.74 123.97 2d8i s LYS 23 Ca 0.03 -0.11 -0.30 0.00 0.02 0.00 0.00 55.97 55.61 2d8i s LYS 23 Cb -0.13 -3.12 -0.10 0.00 -0.52 0.00 0.00 37.83 33.96 2d8i s LYS 23 CO -0.11 0.69 1.61 1.03 -0.92 0.00 0.00 175.35 177.65 2d8i h SER 24 N 4.23 -1.01 -3.45 2.83 0.87 -1.89 -3.43 113.55 111.70 2d8i h SER 24 Ca -0.51 0.11 -0.24 0.00 -1.23 0.00 0.00 61.79 59.92 2d8i h SER 24 Cb 1.20 0.37 -0.31 0.00 -0.44 0.00 0.00 62.40 63.22 2d8i h SER 24 CO 0.64 -0.45 -0.59 -1.81 -0.53 0.00 0.00 176.83 174.09 2d8i s ASP 25 N -4.70 -0.12 0.10 6.23 1.01 -1.26 -5.04 116.67 112.89 2d8i s ASP 25 Ca -0.16 0.31 -0.14 0.00 0.71 0.00 0.00 52.55 53.27 2d8i s ASP 25 Cb 0.07 0.20 -0.11 0.00 1.01 0.00 0.00 42.92 44.10 2d8i s ASP 25 CO 0.64 -0.14 1.38 0.71 0.21 0.00 0.00 175.17 177.96 2d8i h THR 26 N 6.00 1.29 -0.97 -1.27 1.35 -1.84 0.31 112.91 117.78 2d8i h THR 26 Ca -0.42 -1.68 0.38 0.00 -0.55 0.00 0.00 66.41 64.14 2d8i h THR 26 Cb 1.14 1.71 -0.15 0.00 -1.73 0.00 0.00 68.15 69.13 2d8i h THR 26 CO 0.42 0.54 0.56 0.00 -0.25 0.00 0.00 175.52 176.79 2d8i n ALA 27 N -2.55 0.98 0.04 6.62 0.00 -1.26 -3.62 120.51 120.73 2d8i n ALA 27 Ca -0.05 0.85 0.00 0.00 0.00 0.00 0.00 53.44 54.24 2d8i n ALA 27 Cb 0.59 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 -2.41 3.00 -1.97 0.00 0.00 -1.20 -4.99 120.51 112.93 2d8i n ALA 28 Ca 0.34 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.35 2d8i n ALA 28 Cb 1.19 0.16 -0.03 0.00 0.00 0.00 0.00 19.45 20.78 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 -5.63 5.82 0.02 0.00 1.11 0.11 -4.97 116.67 113.13 2d8i s ASP 29 Ca 0.00 1.29 0.03 0.00 0.18 0.00 0.00 52.55 54.05 2d8i s ASP 29 Cb 0.00 -2.52 -0.01 0.00 1.07 0.00 0.00 42.92 41.45 2d8i s ASP 29 CO 0.00 -1.77 -0.09 0.28 1.18 0.00 0.00 175.17 174.77 2d8i s THR 30 N 7.13 0.73 0.53 -1.27 -1.32 -1.26 -3.63 115.64 116.54 2d8i s THR 30 Ca 0.80 -0.69 -0.07 0.00 -1.21 0.00 0.00 61.69 60.53 2d8i s THR 30 Cb -0.22 -0.67 0.11 0.00 -1.51 0.00 0.00 72.50 70.21 2d8i s THR 30 CO 0.33 -0.00 0.25 -1.22 -2.21 0.00 0.00 174.62 171.76 2d8i n TYR 31 N 2.28 -1.91 -2.00 9.09 4.01 -1.26 -5.00 117.16 122.37 2d8i n TYR 31 Ca -0.17 -0.08 -0.00 0.00 -0.16 0.00 0.00 57.90 57.49 2d8i n TYR 31 Cb 0.56 -0.66 -0.00 0.00 -0.31 0.00 0.00 39.34 38.93 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 -0.99 0.98 3.57 2.72 0.00 -1.26 -5.02 105.19 105.19 2d8i n GLY 32 Ca 0.04 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 3.15 0.04 1.61 -0.71 -1.26 -2.67 117.98 118.14 2d8i s PHE 33 Ca 0.00 -0.09 0.00 0.00 -1.04 0.00 0.00 56.93 55.80 2d8i s PHE 33 Cb 0.00 -2.03 -0.04 0.00 -1.21 0.00 0.00 43.02 39.74 2d8i s PHE 33 CO -0.00 0.07 0.15 -1.54 -1.34 0.00 0.00 175.22 172.56 2d8i s SER 34 N 0.37 6.03 0.27 1.98 1.04 -0.77 -4.95 113.70 117.67 2d8i s SER 34 Ca -0.00 0.19 0.10 0.00 0.48 0.00 0.00 55.95 56.73 2d8i s SER 34 Cb -0.13 -1.79 -0.05 0.00 0.10 0.00 0.00 66.02 64.15 2d8i s SER 34 CO 0.01 0.21 -0.06 -0.76 0.98 0.00 0.00 173.24 173.62 2d8i s LEU 35 N -2.21 3.00 -0.12 2.42 1.43 -1.26 0.33 118.68 122.27 2d8i s LEU 35 Ca 0.30 -0.78 -0.00 0.00 -1.03 0.00 0.00 54.13 52.61 2d8i s LEU 35 Cb -0.13 -1.51 0.03 0.00 0.03 0.00 0.00 46.19 44.61 2d8i s LEU 35 CO 0.22 -0.00 -0.08 -0.55 0.23 0.00 0.00 176.35 176.17 2d8i s SER 36 N -3.63 2.32 -0.36 2.29 0.15 0.28 -4.71 113.70 110.05 2d8i s SER 36 Ca 0.31 -0.37 -0.24 0.00 0.70 0.00 0.00 55.95 56.35 2d8i s SER 36 Cb -0.06 -0.89 0.01 0.00 -1.71 0.00 0.00 66.02 63.38 2d8i s SER 36 CO 0.18 -0.12 0.85 -0.44 1.20 0.00 0.00 173.24 174.91 2d8i s SER 37 N 1.68 6.61 -0.12 5.45 0.01 -1.26 -1.36 113.70 124.70 2d8i s SER 37 Ca 0.04 0.46 0.01 0.00 1.31 0.00 0.00 55.95 57.78 2d8i s SER 37 Cb -0.13 -2.43 -0.01 0.00 0.21 0.00 0.00 66.02 63.66 2d8i s SER 37 CO -0.08 -0.78 -0.17 -0.69 0.41 0.00 0.00 173.24 171.92 2d8i s VAL 38 N 3.26 2.69 -0.27 3.43 1.01 0.93 -4.94 120.40 126.51 2d8i s VAL 38 Ca 0.34 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.43 2d8i s VAL 38 Cb -0.13 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 2d8i s VAL 38 CO 0.17 0.54 0.15 -0.70 0.00 0.00 0.00 175.10 175.26 2d8i s GLU 39 N 0.35 3.84 -0.17 2.72 2.12 -1.26 -0.36 118.70 125.93 2d8i s GLU 39 Ca -0.14 -0.38 -0.01 0.00 0.36 0.00 0.00 54.97 54.80 2d8i s GLU 39 Cb -0.17 -3.54 0.05 0.00 0.26 0.00 0.00 34.13 30.73 2d8i s GLU 39 CO 0.07 -0.19 -0.03 -1.21 -0.54 0.00 0.00 175.26 173.36 2d8i s GLU 40 N 1.71 1.25 -1.36 4.30 8.01 0.39 -4.77 118.70 128.23 2d8i s GLU 40 Ca 0.07 -0.52 -0.05 0.00 0.01 0.00 0.00 54.97 54.48 2d8i s GLU 40 Cb -0.16 -2.03 0.01 0.00 -4.31 0.00 0.00 34.13 27.63 2d8i s GLU 40 CO 0.08 -0.48 0.62 -0.25 0.01 0.00 0.00 175.26 175.24 2d8i n ASP 41 N 4.90 -5.69 0.00 -0.19 9.92 -1.26 -1.78 116.55 122.44 2d8i n ASP 41 Ca -0.11 -0.29 0.00 0.00 -0.53 0.00 0.00 54.79 53.86 2d8i n ASP 41 Cb 0.47 -4.49 0.00 0.00 -0.64 0.00 0.00 41.12 36.46 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 -1.51 2.85 3.67 0.44 0.00 -1.26 -4.99 105.19 104.40 2d8i n GLY 42 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.24 4.76 -0.01 -0.61 1.01 -0.74 -5.03 121.20 119.34 2d8i s ILE 43 Ca 0.00 1.96 -0.16 0.00 0.00 0.00 0.00 60.65 62.45 2d8i s ILE 43 Cb 0.00 -4.28 -0.06 0.00 0.01 0.00 0.00 42.46 38.13 2d8i s ILE 43 CO 0.00 -0.06 0.45 -0.60 0.00 0.00 0.00 174.94 174.72 2d8i s ARG 44 N 2.50 4.05 0.09 2.79 3.52 -1.26 -0.46 118.95 130.18 2d8i s ARG 44 Ca 0.45 0.47 0.01 0.00 -0.13 0.00 0.00 55.73 56.53 2d8i s ARG 44 Cb -0.17 -3.27 -0.04 0.00 -1.56 0.00 0.00 34.95 29.91 2d8i s ARG 44 CO 0.12 0.57 -0.06 1.03 -0.81 0.00 0.00 175.30 176.16 2d8i s ARG 45 N -0.73 0.79 0.12 5.12 3.00 0.51 -3.97 118.95 123.78 2d8i s ARG 45 Ca 0.25 -1.31 0.10 0.00 0.00 0.00 0.00 55.73 54.76 2d8i s ARG 45 Cb -0.17 -0.13 -0.04 0.00 0.00 0.00 0.00 34.95 34.61 2d8i s ARG 45 CO 0.14 -0.03 -0.22 -0.51 0.00 0.00 0.00 175.30 174.68 2d8i s LEU 46 N -3.01 2.54 -0.10 2.53 2.01 -1.26 -0.05 118.68 121.33 2d8i s LEU 46 Ca 0.11 -0.62 -0.07 0.00 0.01 0.00 0.00 54.13 53.55 2d8i s LEU 46 Cb 0.06 -1.41 0.03 0.00 0.01 0.00 0.00 46.19 44.88 2d8i s LEU 46 CO -0.06 0.19 0.25 -0.31 1.01 0.00 0.00 176.35 177.43 2d8i s TYR 47 N -1.09 -0.30 -0.42 0.29 1.51 -0.47 0.07 117.35 116.94 2d8i s TYR 47 Ca 0.16 0.73 -0.28 0.00 -1.01 0.00 0.00 57.07 56.67 2d8i s TYR 47 Cb -0.10 0.08 -0.03 0.00 -0.11 0.00 0.00 41.96 41.80 2d8i s TYR 47 CO 0.08 -0.18 1.89 0.08 -1.11 0.00 0.00 175.55 176.32 2d8i s VAL 48 N 0.59 3.38 0.08 0.71 1.01 -0.72 0.10 120.40 125.54 2d8i s VAL 48 Ca -0.04 0.34 -0.14 0.00 0.00 0.00 0.00 61.98 62.14 2d8i s VAL 48 Cb -0.05 -3.64 -0.19 0.00 0.00 0.00 0.00 36.38 32.50 2d8i s VAL 48 CO -0.03 -0.49 1.24 0.78 0.00 0.00 0.00 175.10 176.59 2d8i h ASN 49 N 14.17 0.86 -5.33 3.32 4.21 -0.40 -1.47 115.58 130.94 2d8i h ASN 49 Ca -0.31 -0.68 -0.13 0.00 1.21 0.00 0.00 56.30 56.40 2d8i h ASN 49 Cb 1.18 -0.26 -0.13 0.00 -1.12 0.00 0.00 38.32 37.99 2d8i h ASN 49 CO 1.09 1.41 -0.37 -0.55 -1.29 0.00 0.00 177.43 177.72 2d8i s SER 50 N -7.09 0.07 -0.05 5.81 0.15 -1.11 -4.69 113.70 106.80 2d8i s SER 50 Ca -0.11 -0.99 -0.07 0.00 0.70 0.00 0.00 55.95 55.47 2d8i s SER 50 Cb 0.07 0.43 0.01 0.00 -1.71 0.00 0.00 66.02 64.83 2d8i s SER 50 CO 0.89 -0.90 0.19 -0.69 1.20 0.00 0.00 173.24 173.93 2d8i s VAL 51 N -4.01 0.03 1.34 4.45 1.01 -1.26 -1.84 120.40 120.11 2d8i s VAL 51 Ca 0.22 -0.22 -0.19 0.00 0.00 0.00 0.00 61.98 61.79 2d8i s VAL 51 Cb 0.04 -0.34 0.34 0.00 0.00 0.00 0.00 36.38 36.41 2d8i s VAL 51 CO 0.03 -0.12 0.89 2.29 0.00 0.00 0.00 175.10 178.19 2d8i n LYS 52 N 2.45 -3.74 -3.71 2.72 2.85 -1.09 -4.89 118.16 112.76 2d8i n LYS 52 Ca -0.16 -1.09 -0.36 0.00 -1.05 0.00 0.00 58.31 55.65 2d8i n LYS 52 Cb 0.58 -2.01 -0.09 0.00 -0.65 0.00 0.00 35.03 32.86 2d8i n LYS 52 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2d8i s GLU 53 N -4.66 4.09 -1.54 -1.58 -6.30 -1.26 -4.51 118.70 102.94 2d8i s GLU 53 Ca 0.67 -0.26 -0.01 0.00 -2.50 0.00 0.00 54.97 52.86 2d8i s GLU 53 Cb -0.18 -3.48 0.01 0.00 0.00 0.00 0.00 34.13 30.49 2d8i s GLU 53 CO 0.61 0.14 0.03 -2.37 0.02 0.00 0.00 175.26 173.69 2d8i n THR 54 N 4.02 -0.92 0.00 -1.70 5.66 -1.26 -4.91 114.28 115.17 2d8i n THR 54 Ca -0.15 -0.46 0.00 0.00 -3.05 0.00 0.00 64.05 60.39 2d8i n THR 54 Cb 0.52 -0.95 0.00 0.00 -1.55 0.00 0.00 70.33 68.35 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 -2.47 1.18 0.13 1.09 0.00 -1.26 -4.93 105.19 98.94 2d8i n GLY 55 Ca -0.30 -0.39 -0.19 0.00 0.00 0.00 0.00 46.02 45.15 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 2.92 0.05 0.99 4.77 -1.26 -3.76 117.00 120.71 2d8i n LEU 56 Ca 0.00 -0.09 -0.09 0.00 -0.03 0.00 0.00 56.01 55.80 2d8i n LEU 56 Cb 0.00 -0.93 0.04 0.00 -2.33 0.00 0.00 43.42 40.20 2d8i n LEU 56 CO 0.00 0.92 0.39 0.00 -1.33 0.00 0.00 177.39 177.37 2d8i h ALA 57 N -0.01 0.64 -0.23 -1.18 0.00 -1.94 -1.16 119.26 115.37 2d8i h ALA 57 Ca -0.57 -0.58 -0.12 0.00 0.00 0.00 0.00 54.91 53.64 2d8i h ALA 57 Cb 1.91 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 2d8i h ALA 57 CO -0.08 0.74 -0.33 1.03 0.00 0.00 0.00 179.25 180.61 2d8i h SER 58 N 0.29 0.69 -0.27 0.00 0.87 -1.78 0.31 113.55 113.65 2d8i h SER 58 Ca -0.02 -0.51 -0.13 0.00 -1.23 0.00 0.00 61.79 59.90 2d8i h SER 58 Cb 1.24 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 63.01 2d8i h SER 58 CO 0.12 1.07 -0.33 0.07 -0.53 0.00 0.00 176.83 177.23 2d8i h LYS 59 N 0.32 0.70 0.35 2.24 2.10 -1.64 -3.33 116.57 117.32 2d8i h LYS 59 Ca 0.02 -0.39 -0.01 0.00 -2.00 0.00 0.00 60.65 58.27 2d8i h LYS 59 Cb 0.91 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.26 2d8i h LYS 59 CO 0.08 1.01 -0.28 0.87 -2.00 0.00 0.00 179.45 179.13 2d8i h LYS 60 N 0.44 -0.58 0.00 0.07 6.56 -1.24 -3.46 116.57 118.35 2d8i h LYS 60 Ca 0.04 0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.67 2d8i h LYS 60 Cb 0.91 0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.70 2d8i h LYS 60 CO 0.08 -0.39 0.00 0.41 -2.06 0.00 0.00 179.45 177.49 2d8i n GLY 61 N -1.33 0.00 3.49 3.86 0.00 -0.98 -5.10 105.19 105.13 2d8i n GLY 61 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 2.72 0.19 0.99 1.43 0.10 -5.03 118.68 119.08 2d8i s LEU 62 Ca 0.00 -0.43 -0.13 0.00 -1.03 0.00 0.00 54.13 52.54 2d8i s LEU 62 Cb 0.00 -1.58 0.01 0.00 0.03 0.00 0.00 46.19 44.64 2d8i s LEU 62 CO 0.00 0.23 0.41 -0.54 0.23 0.00 0.00 176.35 176.68 2d8i s LYS 63 N -1.68 1.32 -0.92 1.70 -0.14 -1.26 -4.19 119.74 114.58 2d8i s LYS 63 Ca 0.16 -1.08 -0.24 0.00 -1.36 0.00 0.00 55.97 53.45 2d8i s LYS 63 Cb -0.11 0.45 -0.03 0.00 -1.68 0.00 0.00 37.83 36.46 2d8i s LYS 63 CO 0.07 -0.53 1.86 0.00 -0.76 0.00 0.00 175.35 176.00 2d8i s ALA 64 N -3.95 1.84 0.00 5.17 0.00 -1.26 -3.46 121.76 120.11 2d8i s ALA 64 Ca 0.16 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.50 2d8i s ALA 64 Cb 0.01 -4.55 0.00 0.00 0.00 0.00 0.00 23.12 18.58 2d8i s ALA 64 CO 0.01 -4.60 0.00 0.41 0.00 0.00 0.00 175.76 171.58 2d8i n GLY 65 N 6.83 0.00 3.61 0.00 0.00 -0.55 -4.96 105.19 110.11 2d8i n GLY 65 Ca 0.38 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 3.82 -0.10 1.61 1.01 -1.22 -4.96 116.67 116.82 2d8i s ASP 66 Ca 0.00 -1.35 0.03 0.00 0.71 0.00 0.00 52.55 51.93 2d8i s ASP 66 Cb 0.00 -0.39 0.01 0.00 1.01 0.00 0.00 42.92 43.55 2d8i s ASP 66 CO 0.00 -0.43 -0.18 -1.83 0.21 0.00 0.00 175.17 172.94 2d8i s GLU 67 N -3.71 2.42 0.27 8.23 -1.05 -1.26 -1.76 118.70 121.84 2d8i s GLU 67 Ca 0.35 -0.65 -0.26 0.00 -0.15 0.00 0.00 54.97 54.26 2d8i s GLU 67 Cb 0.09 -1.95 -0.09 0.00 -0.44 0.00 0.00 34.13 31.74 2d8i s GLU 67 CO 0.18 0.03 0.90 0.42 0.95 0.00 0.00 175.26 177.73 2d8i s ILE 68 N 0.72 4.23 -0.18 1.83 -1.09 0.11 -4.46 121.20 122.36 2d8i s ILE 68 Ca -0.12 1.83 -0.04 0.00 -2.23 0.00 0.00 60.65 60.09 2d8i s ILE 68 Cb -0.16 -4.10 -0.10 0.00 -1.58 0.00 0.00 42.46 36.52 2d8i s ILE 68 CO 0.02 0.30 -0.19 0.18 -1.23 0.00 0.00 174.94 174.03 2d8i n LEU 69 N 0.98 2.20 -3.62 2.97 4.77 0.34 -4.24 117.00 120.40 2d8i n LEU 69 Ca -0.01 0.05 -0.11 0.00 -0.03 0.00 0.00 56.01 55.92 2d8i n LEU 69 Cb 0.49 -0.57 -0.04 0.00 -2.33 0.00 0.00 43.42 40.97 2d8i n LEU 69 CO 0.46 0.60 0.20 -1.61 -1.33 0.00 0.00 177.39 175.71 2d8i s GLU 70 N -2.34 1.12 -0.28 3.23 2.02 -1.23 -3.93 118.70 117.29 2d8i s GLU 70 Ca -0.24 -0.70 -0.02 0.00 0.02 0.00 0.00 54.97 54.03 2d8i s GLU 70 Cb 0.08 0.49 0.09 0.00 0.10 0.00 0.00 34.13 34.89 2d8i s GLU 70 CO 0.36 -0.45 0.09 0.42 0.02 0.00 0.00 175.26 175.70 2d8i s ILE 71 N -3.80 0.69 -1.22 -1.63 1.01 0.96 -1.74 121.20 115.46 2d8i s ILE 71 Ca 0.03 -1.15 -0.06 0.00 0.00 0.00 0.00 60.65 59.48 2d8i s ILE 71 Cb 0.01 -1.45 0.01 0.00 0.01 0.00 0.00 42.46 41.04 2d8i s ILE 71 CO -0.11 -0.58 1.05 0.59 0.00 0.00 0.00 174.94 175.89 2d8i n ASN 72 N 4.94 -4.82 -1.23 3.58 4.13 0.29 -2.40 115.26 119.75 2d8i n ASN 72 Ca -0.04 -0.53 -0.08 0.00 1.68 0.00 0.00 54.58 55.61 2d8i n ASN 72 Cb 0.43 -4.76 0.01 0.00 -1.54 0.00 0.00 39.78 33.92 2d8i n ASN 72 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2d8i n ASN 73 N -2.80 -3.18 -3.98 6.41 2.85 -1.26 -5.04 115.26 108.26 2d8i n ASN 73 Ca -0.08 -0.10 -0.17 0.00 -0.11 0.00 0.00 54.58 54.12 2d8i n ASN 73 Cb 0.59 -2.14 -0.15 0.00 1.24 0.00 0.00 39.78 39.32 2d8i n ASN 73 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2d8i s ARG 74 N -4.90 0.58 0.04 1.20 1.81 -1.01 -5.13 118.95 111.54 2d8i s ARG 74 Ca 0.10 -0.23 -0.30 0.00 -1.72 0.00 0.00 55.73 53.58 2d8i s ARG 74 Cb -0.04 -0.57 -0.04 0.00 -0.45 0.00 0.00 34.95 33.84 2d8i s ARG 74 CO 0.12 0.12 1.10 0.00 -0.68 0.00 0.00 175.30 175.97 2d8i s ALA 75 N -0.04 3.29 0.29 2.13 0.00 -1.26 -0.03 121.76 126.14 2d8i s ALA 75 Ca 0.01 0.71 0.04 0.00 0.00 0.00 0.00 51.96 52.72 2d8i s ALA 75 Cb -0.04 -3.40 0.65 0.00 0.00 0.00 0.00 23.12 20.33 2d8i s ALA 75 CO -0.00 -0.34 1.81 0.00 0.00 0.00 0.00 175.76 177.23 2d8i h ALA 76 N 6.77 1.60 0.00 0.00 0.00 -1.90 0.21 119.26 125.94 2d8i h ALA 76 Ca -0.41 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 2d8i h ALA 76 Cb 1.22 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2d8i h ALA 76 CO 0.78 0.09 -0.43 0.38 0.00 0.00 0.00 179.25 180.07 2d8i h ASP 77 N 0.88 0.00 1.25 0.00 2.03 -1.91 -2.84 116.42 115.83 2d8i h ASP 77 Ca 0.54 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.72 2d8i h ASP 77 Cb 0.69 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.17 2d8i h ASP 77 CO -0.32 0.43 -0.53 0.00 -1.03 0.00 0.00 179.24 177.79 2d8i h ALA 78 N 1.57 0.72 -2.34 4.15 0.00 -1.03 -3.45 119.26 118.88 2d8i h ALA 78 Ca -0.00 -0.48 -0.50 0.00 0.00 0.00 0.00 54.91 53.93 2d8i h ALA 78 Cb 0.86 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2d8i h ALA 78 CO 0.06 0.66 0.07 -0.51 0.00 0.00 0.00 179.25 179.53 2d8i s LEU 79 N -6.66 4.00 0.33 0.00 1.43 -0.26 -4.99 118.68 112.53 2d8i s LEU 79 Ca 0.02 1.17 0.10 0.00 -1.03 0.00 0.00 54.13 54.39 2d8i s LEU 79 Cb 0.09 -4.00 -0.06 0.00 0.03 0.00 0.00 46.19 42.26 2d8i s LEU 79 CO 0.74 -0.25 -0.05 0.20 0.23 0.00 0.00 176.35 177.21 2d8i s ASN 80 N -2.60 3.98 0.34 2.29 0.01 -1.26 -4.94 114.94 112.76 2d8i s ASN 80 Ca 0.52 -1.05 0.14 0.00 -0.71 0.00 0.00 52.86 51.77 2d8i s ASN 80 Cb -0.10 -0.46 1.10 0.00 0.41 0.00 0.00 41.25 42.19 2d8i s ASN 80 CO 0.23 -0.18 1.64 0.77 -1.51 0.00 0.00 177.10 178.05 2d8i h SER 81 N 1.94 0.39 -0.89 -1.22 4.64 -1.98 0.77 113.55 117.20 2d8i h SER 81 Ca -0.42 0.21 0.02 0.00 -0.47 0.00 0.00 61.79 61.13 2d8i h SER 81 Cb 1.25 0.19 -0.05 0.00 -0.31 0.00 0.00 62.40 63.48 2d8i h SER 81 CO 0.67 -0.21 0.58 -1.28 -0.87 0.00 0.00 176.83 175.72 2d8i h SER 82 N 0.24 0.98 0.20 4.97 0.87 -2.01 -2.74 113.55 116.06 2d8i h SER 82 Ca 0.74 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 61.27 2d8i h SER 82 Cb 1.73 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.46 2d8i h SER 82 CO -0.66 0.69 -0.10 0.24 -0.53 0.00 0.00 176.83 176.47 2d8i h MET 83 N 1.15 -0.27 -0.83 2.24 2.86 0.15 -3.11 114.93 117.12 2d8i h MET 83 Ca 0.34 0.02 0.19 0.00 -2.06 0.00 0.00 59.70 58.19 2d8i h MET 83 Cb -0.05 0.06 -0.15 0.00 0.06 0.00 0.00 31.60 31.52 2d8i h MET 83 CO -0.10 0.00 -0.06 -0.07 1.06 0.00 0.00 176.91 177.74 2d8i h LEU 84 N -0.52 -0.52 -0.45 1.22 3.38 -1.17 0.26 115.31 117.51 2d8i h LEU 84 Ca -0.03 0.23 0.08 0.00 0.09 0.00 0.00 57.88 58.26 2d8i h LEU 84 Cb 0.39 0.43 -0.07 0.00 0.09 0.00 0.00 40.66 41.50 2d8i h LEU 84 CO 0.05 -0.25 -0.00 0.50 0.09 0.00 0.00 178.44 178.83 2d8i h LYS 85 N 0.05 0.11 -0.48 1.13 3.64 -1.43 -0.41 116.57 119.18 2d8i h LYS 85 Ca 0.45 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.80 2d8i h LYS 85 Cb 0.80 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 2d8i h LYS 85 CO -0.79 0.07 0.21 0.22 -2.27 0.00 0.00 179.45 176.90 2d8i h ASP 86 N 0.11 0.65 -0.32 4.20 1.82 -0.52 -0.64 116.42 121.71 2d8i h ASP 86 Ca 0.22 -0.15 0.05 0.00 -0.39 0.00 0.00 57.03 56.76 2d8i h ASP 86 Cb 0.33 -0.17 -0.04 0.00 0.68 0.00 0.00 39.33 40.12 2d8i h ASP 86 CO -0.37 0.62 0.05 -0.26 -1.61 0.00 0.00 179.24 177.66 2d8i h PHE 87 N 0.64 0.07 0.00 0.28 0.04 -0.14 -1.08 116.94 116.75 2d8i h PHE 87 Ca 0.16 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.89 2d8i h PHE 87 Cb 0.16 0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 2d8i h PHE 87 CO -0.00 -0.00 -0.28 -0.07 -0.60 0.00 0.00 178.31 177.35 2d8i h LEU 88 N 0.15 0.00 -1.01 1.54 3.38 -0.95 -2.41 115.31 116.02 2d8i h LEU 88 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2d8i h LEU 88 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2d8i h LEU 88 CO -0.22 0.28 0.00 0.28 0.09 0.00 0.00 178.44 178.88 2d8i h SER 89 N 0.00 0.00 -3.19 -0.43 0.02 0.20 -3.43 113.55 106.71 2d8i h SER 89 Ca -0.00 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 2d8i h SER 89 Cb 0.69 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.19 2d8i h SER 89 CO 0.04 0.00 -0.17 -1.10 -1.14 0.00 0.00 176.83 174.45 2d8i s GLN 90 N -3.44 3.86 0.38 3.45 -1.52 -0.91 -4.99 119.66 116.49 2d8i s GLN 90 Ca 0.03 0.32 0.17 0.00 -1.95 0.00 0.00 55.36 53.93 2d8i s GLN 90 Cb 0.09 -2.98 0.77 0.00 -0.22 0.00 0.00 33.01 30.67 2d8i s GLN 90 CO 0.41 0.53 1.80 -1.00 -0.25 0.00 0.00 175.29 176.78 2d8i h PRO 91 N 3.71 0.00 -5.08 2.91 0.13 -1.85 -3.42 132.00 128.39 2d8i h PRO 91 Ca -0.49 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 63.98 2d8i h PRO 91 Cb 1.19 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.03 2d8i h PRO 91 CO 0.66 0.36 -0.76 -1.54 -0.23 0.00 0.00 178.00 176.49 2d8i s SER 92 N -6.58 3.99 0.02 1.44 1.04 -1.26 -0.39 113.70 111.96 2d8i s SER 92 Ca -0.01 -0.43 0.04 0.00 0.48 0.00 0.00 55.95 56.03 2d8i s SER 92 Cb 0.12 -1.66 -0.02 0.00 0.10 0.00 0.00 66.02 64.57 2d8i s SER 92 CO 0.69 0.03 -0.13 -0.76 0.98 0.00 0.00 173.24 174.04 2d8i s LEU 93 N 1.18 2.10 -0.23 2.42 1.43 0.17 -4.98 118.68 120.77 2d8i s LEU 93 Ca 0.02 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 2d8i s LEU 93 Cb -0.14 -0.62 0.05 0.00 0.03 0.00 0.00 46.19 45.51 2d8i s LEU 93 CO -0.03 0.09 -0.12 -0.83 0.23 0.00 0.00 176.35 175.69 2d8i s GLY 94 N -0.74 1.47 0.37 -3.19 0.00 -1.26 0.11 107.32 104.08 2d8i s GLY 94 Ca 0.03 -1.49 0.08 0.00 0.00 0.00 0.00 44.72 43.34 2d8i s GLY 94 CO 0.00 0.60 0.24 1.08 0.00 0.00 0.00 173.10 175.03 2d8i s LEU 95 N 1.24 3.33 -0.19 0.66 1.43 -0.13 0.11 118.68 125.12 2d8i s LEU 95 Ca -0.04 -0.77 -0.05 0.00 -1.03 0.00 0.00 54.13 52.24 2d8i s LEU 95 Cb -0.18 -1.86 0.07 0.00 0.03 0.00 0.00 46.19 44.25 2d8i s LEU 95 CO -0.07 -0.45 0.10 -0.22 0.23 0.00 0.00 176.35 175.94 2d8i s LEU 96 N -3.96 0.39 0.31 1.79 2.96 -0.71 -2.49 118.68 116.96 2d8i s LEU 96 Ca 0.42 -0.74 0.10 0.00 -0.22 0.00 0.00 54.13 53.69 2d8i s LEU 96 Cb -0.02 -0.26 -0.05 0.00 0.50 0.00 0.00 46.19 46.35 2d8i s LEU 96 CO 0.25 -0.37 -0.10 0.68 -1.32 0.00 0.00 176.35 175.49 2d8i s VAL 97 N 2.13 2.55 0.13 1.68 -7.23 -1.12 -0.50 120.40 118.04 2d8i s VAL 97 Ca 0.03 -2.20 -0.10 0.00 -1.81 0.00 0.00 61.98 57.90 2d8i s VAL 97 Cb -0.16 -2.57 -0.06 0.00 0.56 0.00 0.00 36.38 34.15 2d8i s VAL 97 CO -0.14 -0.30 0.46 -0.60 -0.31 0.00 0.00 175.10 174.21 2d8i s ARG 98 N -3.60 3.80 0.13 4.82 3.52 -1.26 -1.39 118.95 124.97 2d8i s ARG 98 Ca 0.32 0.24 -0.00 0.00 -0.13 0.00 0.00 55.73 56.15 2d8i s ARG 98 Cb -0.02 -2.91 -0.04 0.00 -1.56 0.00 0.00 34.95 30.42 2d8i s ARG 98 CO 0.17 0.49 0.03 -0.08 -0.81 0.00 0.00 175.30 175.10 2d8i s THR 99 N -1.51 0.26 0.02 4.11 -1.32 -0.07 -4.89 115.64 112.23 2d8i s THR 99 Ca 0.37 -1.91 -0.21 0.00 -1.21 0.00 0.00 61.69 58.73 2d8i s THR 99 Cb -0.14 -1.98 -0.06 0.00 -1.51 0.00 0.00 72.50 68.81 2d8i s THR 99 CO 0.20 -0.55 0.61 -0.31 -2.21 0.00 0.00 174.62 172.36 2d8i s TYR 100 N -3.94 3.72 0.14 9.09 2.02 -1.26 -0.78 117.35 126.34 2d8i s TYR 100 Ca 0.22 1.26 -0.31 0.00 -0.37 0.00 0.00 57.07 57.87 2d8i s TYR 100 Cb 0.07 -2.61 -0.08 0.00 -0.40 0.00 0.00 41.96 38.94 2d8i s TYR 100 CO 0.01 0.40 1.34 -1.25 -1.57 0.00 0.00 175.55 174.47 2d8i s PRO 101 N -0.39 4.36 0.12 -1.71 0.04 -1.26 -4.90 135.00 131.25 2d8i s PRO 101 Ca 0.32 2.04 0.06 0.00 0.04 0.00 0.00 61.00 63.45 2d8i s PRO 101 Cb -0.19 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 2d8i s PRO 101 CO 0.18 -0.35 0.01 -2.00 0.04 0.00 0.00 177.00 174.88 2d8i s GLU 102 N 0.65 2.52 1.02 4.56 2.56 -1.26 -4.97 118.70 123.77 2d8i s GLU 102 Ca 0.61 -0.92 -0.22 0.00 0.00 0.00 0.00 54.97 54.44 2d8i s GLU 102 Cb -0.36 -2.49 -0.11 0.00 2.00 0.00 0.00 34.13 33.18 2d8i s GLU 102 CO 0.33 0.51 -0.86 1.47 -0.56 0.00 0.00 175.26 176.15 2d8i n LEU 103 N 0.31 -3.46 -3.30 2.70 -0.00 -1.26 -4.37 117.00 107.62 2d8i n LEU 103 Ca -0.10 0.06 -0.36 0.00 -0.00 0.00 0.00 56.01 55.61 2d8i n LEU 103 Cb 0.53 -0.73 -0.10 0.00 -0.00 0.00 0.00 43.42 43.12 2d8i n LEU 103 CO 0.39 -3.74 1.53 1.21 -0.00 0.00 0.00 177.39 176.79 2d8i n GLU 104 N 1.24 0.00 -1.46 1.47 4.07 -1.26 -4.84 120.64 119.86 2d8i n GLU 104 Ca -0.01 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 56.78 2d8i n GLU 104 Cb 0.65 -1.12 0.07 0.00 -0.06 0.00 0.00 31.44 30.98 2d8i n GLU 104 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2d8i s GLU 105 N 5.92 2.67 0.00 5.31 2.02 -1.26 -4.18 118.70 129.18 2d8i s GLU 105 Ca 0.98 1.03 0.00 0.00 0.02 0.00 0.00 54.97 56.99 2d8i s GLU 105 Cb -1.01 -1.95 0.00 0.00 0.10 0.00 0.00 34.13 31.27 2d8i s GLU 105 CO 0.41 -1.31 0.00 0.41 0.02 0.00 0.00 175.26 174.80 2d8i n GLY 106 N -1.71 1.23 3.55 -1.39 0.00 -1.26 -4.80 105.19 100.81 2d8i n GLY 106 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 2d8i n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d8i s VAL 107 N 0.00 3.15 -0.58 1.61 1.01 -1.26 -4.91 120.40 119.42 2d8i s VAL 107 Ca 0.00 0.03 -0.23 0.00 0.00 0.00 0.00 61.98 61.78 2d8i s VAL 107 Cb 0.00 -3.39 0.05 0.00 0.00 0.00 0.00 36.38 33.04 2d8i s VAL 107 CO 0.00 -0.38 0.93 -0.70 0.00 0.00 0.00 175.10 174.95 2d8i s GLU 108 N 7.86 3.24 -0.11 2.72 -6.30 -1.26 -4.88 118.70 119.98 2d8i s GLU 108 Ca 0.85 -0.49 -0.07 0.00 -2.50 0.00 0.00 54.97 52.76 2d8i s GLU 108 Cb -0.14 -4.11 -0.04 0.00 0.00 0.00 0.00 34.13 29.84 2d8i s GLU 108 CO 0.20 -1.58 0.15 -1.54 0.02 0.00 0.00 175.26 172.51 2d8i s SER 109 N 3.10 6.40 0.43 -1.70 1.04 -1.26 -5.05 113.70 116.66 2d8i s SER 109 Ca 0.27 0.48 -0.22 0.00 0.48 0.00 0.00 55.95 56.96 2d8i s SER 109 Cb -0.14 -2.07 -0.13 0.00 0.10 0.00 0.00 66.02 63.78 2d8i s SER 109 CO 0.16 0.40 0.46 0.61 0.98 0.00 0.00 173.24 175.84 2d8i n GLY 110 N 1.90 -1.73 3.68 7.32 0.00 -1.26 -4.94 105.19 110.15 2d8i n GLY 110 Ca -0.19 0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.51 0.51 -0.37 1.61 0.04 -1.26 -5.02 135.00 129.00 2d8i s PRO 111 Ca 0.63 0.55 -0.13 0.00 0.04 0.00 0.00 61.00 62.09 2d8i s PRO 111 Cb -0.59 -1.74 0.01 0.00 0.04 0.00 0.00 34.50 32.21 2d8i s PRO 111 CO 0.59 -2.69 0.24 -1.12 0.04 0.00 0.00 177.00 174.06 2d8i s SER 112 N -3.45 5.92 0.01 6.66 0.01 -1.26 -4.86 113.70 116.73 2d8i s SER 112 Ca 0.65 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 57.16 2d8i s SER 112 Cb -0.18 -2.10 0.00 0.00 0.21 0.00 0.00 66.02 63.95 2d8i s SER 112 CO 0.58 -0.34 0.00 -1.20 0.41 0.00 0.00 173.24 172.68 2d8i n SER 113 N 5.08 0.04 0.00 2.44 7.64 -1.26 -5.35 113.62 122.21 2d8i n SER 113 Ca -0.12 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.78 2d8i n SER 113 Cb 0.48 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 2d8i n SER 113 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64