#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 6.19 -0.02 1.61 0.01 -1.26 -5.04 113.70 115.19 2d8i s SER 2 Ca 0.00 -0.90 -0.07 0.00 1.31 0.00 0.00 55.95 56.29 2d8i s SER 2 Cb 0.00 -2.23 0.01 0.00 0.21 0.00 0.00 66.02 64.01 2d8i s SER 2 CO 0.00 -0.67 0.17 -0.94 0.41 0.00 0.00 173.24 172.21 2d8i s SER 3 N 2.21 -0.06 0.00 2.44 1.04 -1.26 -5.15 113.70 112.91 2d8i s SER 3 Ca 0.11 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.55 2d8i s SER 3 Cb -0.19 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.20 2d8i s SER 3 CO 0.11 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.67 2d8i n GLY 4 N 1.96 -1.85 3.27 7.32 0.00 -1.26 -5.17 105.19 109.47 2d8i n GLY 4 Ca -0.19 -1.35 -0.11 0.00 0.00 0.00 0.00 46.02 44.37 2d8i n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d8i s SER 5 N -1.93 -0.13 -0.99 1.61 1.04 -1.26 -5.09 113.70 106.94 2d8i s SER 5 Ca 0.00 -0.30 -0.23 0.00 0.48 0.00 0.00 55.95 55.89 2d8i s SER 5 Cb 0.00 0.40 0.04 0.00 0.10 0.00 0.00 66.02 66.56 2d8i s SER 5 CO 0.00 -0.73 1.47 -0.94 0.98 0.00 0.00 173.24 174.03 2d8i s SER 6 N -2.47 6.38 -0.18 7.02 1.04 -1.26 -4.92 113.70 119.31 2d8i s SER 6 Ca -0.00 -1.32 -0.04 0.00 0.48 0.00 0.00 55.95 55.06 2d8i s SER 6 Cb 0.01 -2.57 0.06 0.00 0.10 0.00 0.00 66.02 63.62 2d8i s SER 6 CO -0.08 -1.62 0.07 -0.83 0.98 0.00 0.00 173.24 171.76 2d8i s GLY 7 N 5.12 0.47 -0.31 7.32 0.00 -1.26 -5.00 107.32 113.66 2d8i s GLY 7 Ca 0.47 -0.43 0.12 0.00 0.00 0.00 0.00 44.72 44.88 2d8i s GLY 7 CO -0.08 1.63 1.13 -1.84 0.00 0.00 0.00 173.10 173.94 2d8i n GLU 8 N 5.20 2.77 -4.20 2.90 0.28 -1.26 -5.06 120.64 121.27 2d8i n GLU 8 Ca -0.08 -3.94 -0.35 0.00 -0.16 0.00 0.00 57.16 52.64 2d8i n GLU 8 Cb 0.48 -1.97 -0.09 0.00 1.43 0.00 0.00 31.44 31.30 2d8i n GLU 8 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2d8i s ILE 9 N -4.37 4.62 0.15 3.84 1.01 -1.26 -5.11 121.20 120.08 2d8i s ILE 9 Ca 0.41 -0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.96 2d8i s ILE 9 Cb 0.39 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 2d8i s ILE 9 CO -0.02 0.57 0.29 -1.83 0.00 0.00 0.00 174.94 173.94 2d8i s GLU 10 N -0.54 3.44 0.13 2.79 -1.05 -1.26 -5.03 118.70 117.19 2d8i s GLU 10 Ca 0.10 -0.59 -0.31 0.00 -0.15 0.00 0.00 54.97 54.03 2d8i s GLU 10 Cb -0.12 -2.96 -0.07 0.00 -0.44 0.00 0.00 34.13 30.53 2d8i s GLU 10 CO 0.02 0.52 1.56 0.82 0.95 0.00 0.00 175.26 179.13 2d8i h ILE 11 N 1.64 0.06 -2.04 1.83 2.04 -2.03 -3.41 117.51 115.59 2d8i h ILE 11 Ca -0.48 0.00 -0.64 0.00 1.00 0.00 0.00 64.86 64.74 2d8i h ILE 11 Cb 1.19 0.06 0.08 0.00 -0.74 0.00 0.00 36.82 37.41 2d8i h ILE 11 CO 0.69 0.00 0.31 0.00 0.00 0.00 0.00 178.15 179.14 2d8i s PRO 13 N -0.40 3.18 -0.03 0.00 0.04 -1.26 -4.98 135.00 131.54 2d8i s PRO 13 Ca 0.72 1.11 0.04 0.00 0.04 0.00 0.00 61.00 62.91 2d8i s PRO 13 Cb -0.82 -4.22 -0.00 0.00 0.04 0.00 0.00 34.50 29.49 2d8i s PRO 13 CO 0.52 -2.05 -0.14 0.15 0.04 0.00 0.00 177.00 175.52 2d8i s LYS 14 N 5.92 1.37 0.10 4.56 -0.14 -1.26 -4.46 119.74 125.83 2d8i s LYS 14 Ca 0.73 -0.50 0.05 0.00 -1.36 0.00 0.00 55.97 54.90 2d8i s LYS 14 Cb -0.18 -1.25 -0.04 0.00 -1.68 0.00 0.00 37.83 34.68 2d8i s LYS 14 CO 0.30 0.23 -0.02 0.14 -0.76 0.00 0.00 175.35 175.23 2d8i s VAL 15 N -0.02 3.86 -0.06 3.17 -7.23 0.64 -4.87 120.40 115.88 2d8i s VAL 15 Ca -0.01 -1.07 -0.21 0.00 -1.81 0.00 0.00 61.98 58.89 2d8i s VAL 15 Cb -0.09 -2.83 -0.04 0.00 0.56 0.00 0.00 36.38 33.97 2d8i s VAL 15 CO 0.01 0.11 0.60 0.42 -0.31 0.00 0.00 175.10 175.93 2d8i s THR 16 N -1.30 5.04 -0.11 5.32 -4.23 -1.26 -0.67 115.64 118.43 2d8i s THR 16 Ca 0.25 1.23 0.01 0.00 -1.18 0.00 0.00 61.69 62.00 2d8i s THR 16 Cb -0.11 -3.94 0.02 0.00 1.34 0.00 0.00 72.50 69.81 2d8i s THR 16 CO 0.17 0.33 -0.13 0.00 -0.54 0.00 0.00 174.62 174.46 2d8i s GLN 17 N 0.41 1.97 -0.19 3.99 -2.07 -0.39 -4.98 119.66 118.40 2d8i s GLN 17 Ca 0.32 -0.46 -0.24 0.00 -1.82 0.00 0.00 55.36 53.16 2d8i s GLN 17 Cb -0.17 -1.77 -0.02 0.00 -1.09 0.00 0.00 33.01 29.96 2d8i s GLN 17 CO 0.15 -0.13 0.79 -1.54 -1.32 0.00 0.00 175.29 173.24 2d8i s SER 18 N 1.21 6.87 -0.31 12.60 1.04 -1.26 -3.24 113.70 130.62 2d8i s SER 18 Ca -0.03 1.07 0.03 0.00 0.48 0.00 0.00 55.95 57.50 2d8i s SER 18 Cb -0.14 -2.43 0.09 0.00 0.10 0.00 0.00 66.02 63.64 2d8i s SER 18 CO -0.04 -0.39 0.02 -0.63 0.98 0.00 0.00 173.24 173.18 2d8i s ILE 19 N 2.23 1.92 -0.30 -1.02 1.01 -1.13 -5.06 121.20 118.86 2d8i s ILE 19 Ca 0.36 -1.93 -0.13 0.00 0.00 0.00 0.00 60.65 58.94 2d8i s ILE 19 Cb -0.16 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 2d8i s ILE 19 CO 0.11 -0.47 0.27 -1.38 0.00 0.00 0.00 174.94 173.48 2d8i s HIS 20 N 1.12 3.23 -0.18 3.97 -3.43 -1.26 -2.63 115.29 116.10 2d8i s HIS 20 Ca 0.06 0.11 -0.11 0.00 -0.80 0.00 0.00 55.06 54.32 2d8i s HIS 20 Cb -0.19 -2.50 -0.05 0.00 -1.43 0.00 0.00 32.58 28.42 2d8i s HIS 20 CO -0.10 -0.26 0.18 0.42 -2.00 0.00 0.00 174.74 172.98 2d8i s ILE 21 N 1.88 5.38 -0.11 -5.38 1.01 0.38 -4.96 121.20 119.40 2d8i s ILE 21 Ca 0.10 0.30 0.03 0.00 0.00 0.00 0.00 60.65 61.08 2d8i s ILE 21 Cb -0.16 -3.51 0.01 0.00 0.01 0.00 0.00 42.46 38.80 2d8i s ILE 21 CO 0.11 0.45 -0.22 -0.70 0.00 0.00 0.00 174.94 174.58 2d8i s GLU 22 N 0.24 2.87 0.47 2.79 2.12 -1.26 -1.31 118.70 124.61 2d8i s GLU 22 Ca 0.11 -0.81 -0.06 0.00 0.36 0.00 0.00 54.97 54.57 2d8i s GLU 22 Cb -0.12 -2.24 -0.04 0.00 0.26 0.00 0.00 34.13 32.00 2d8i s GLU 22 CO 0.00 0.09 0.78 0.15 -0.54 0.00 0.00 175.26 175.75 2d8i s LYS 23 N 0.56 3.58 -0.18 4.30 -0.14 0.67 -5.02 119.74 123.51 2d8i s LYS 23 Ca -0.14 0.24 -0.14 0.00 -1.36 0.00 0.00 55.97 54.57 2d8i s LYS 23 Cb -0.17 -2.38 -0.08 0.00 -1.68 0.00 0.00 37.83 33.52 2d8i s LYS 23 CO 0.05 -0.18 -0.15 0.45 -0.76 0.00 0.00 175.35 174.75 2d8i n SER 24 N -2.11 1.86 -3.64 2.83 2.88 -1.26 -4.83 113.62 109.35 2d8i n SER 24 Ca 0.01 0.49 -0.29 0.00 -1.33 0.00 0.00 58.87 57.75 2d8i n SER 24 Cb 0.55 -0.86 -0.12 0.00 -0.75 0.00 0.00 64.21 63.03 2d8i n SER 24 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2d8i s ASP 25 N -6.20 3.29 0.28 -3.46 -1.08 -1.26 -4.99 116.67 103.24 2d8i s ASP 25 Ca -0.23 -2.84 -0.07 0.00 -0.52 0.00 0.00 52.55 48.89 2d8i s ASP 25 Cb 0.05 -0.92 0.50 0.00 -1.46 0.00 0.00 42.92 41.08 2d8i s ASP 25 CO 0.37 -0.23 1.56 0.71 0.52 0.00 0.00 175.17 178.11 2d8i h THR 26 N 4.97 0.01 -0.70 1.71 1.35 -1.89 1.05 112.91 119.42 2d8i h THR 26 Ca 0.08 -0.00 0.08 0.00 -0.55 0.00 0.00 66.41 66.02 2d8i h THR 26 Cb 0.90 0.01 -0.10 0.00 -1.73 0.00 0.00 68.15 67.24 2d8i h THR 26 CO 0.47 0.00 -0.36 0.00 -0.25 0.00 0.00 175.52 175.38 2d8i n ALA 27 N -3.54 -0.31 -0.09 6.62 0.00 -1.26 -3.41 120.51 118.52 2d8i n ALA 27 Ca 0.17 0.64 -0.16 0.00 0.00 0.00 0.00 53.44 54.08 2d8i n ALA 27 Cb 0.54 -0.18 -0.05 0.00 0.00 0.00 0.00 19.45 19.75 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 -3.53 1.32 -1.68 0.00 0.00 -0.07 -4.97 120.51 111.58 2d8i n ALA 28 Ca 0.04 -0.82 -0.45 0.00 0.00 0.00 0.00 53.44 52.20 2d8i n ALA 28 Cb 0.22 0.13 -0.03 0.00 0.00 0.00 0.00 19.45 19.76 2d8i n ALA 28 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2d8i n ASP 29 N -4.20 3.08 -3.69 0.00 8.00 0.35 -4.99 116.55 115.10 2d8i n ASP 29 Ca -0.29 1.11 -0.14 0.00 0.71 0.00 0.00 54.79 56.17 2d8i n ASP 29 Cb 0.63 -1.45 -0.08 0.00 -0.02 0.00 0.00 41.12 40.20 2d8i n ASP 29 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2d8i s THR 30 N 0.55 0.02 1.02 -3.53 -1.32 -1.26 -4.05 115.64 107.07 2d8i s THR 30 Ca 0.74 -0.14 -0.11 0.00 -1.21 0.00 0.00 61.69 60.97 2d8i s THR 30 Cb -0.65 -0.72 0.19 0.00 -1.51 0.00 0.00 72.50 69.82 2d8i s THR 30 CO 0.42 -0.08 1.03 -1.22 -2.21 0.00 0.00 174.62 172.56 2d8i n TYR 31 N 2.02 -0.11 -1.42 9.09 4.01 -1.26 -4.98 117.16 124.52 2d8i n TYR 31 Ca -0.17 0.18 0.01 0.00 -0.16 0.00 0.00 57.90 57.77 2d8i n TYR 31 Cb 0.56 -1.87 0.02 0.00 -0.31 0.00 0.00 39.34 37.75 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 0.66 0.32 3.66 2.72 0.00 -1.26 -5.06 105.19 106.23 2d8i n GLY 32 Ca 0.08 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.49 3.30 0.37 1.61 -0.71 -1.26 -3.65 117.98 117.15 2d8i s PHE 33 Ca 0.05 0.14 0.07 0.00 -1.04 0.00 0.00 56.93 56.15 2d8i s PHE 33 Cb 0.04 -2.12 -0.00 0.00 -1.21 0.00 0.00 43.02 39.73 2d8i s PHE 33 CO 0.00 0.17 0.50 -1.12 -1.34 0.00 0.00 175.22 173.44 2d8i s SER 34 N 0.45 5.79 -0.06 1.98 0.01 -1.01 -4.98 113.70 115.88 2d8i s SER 34 Ca 0.05 -0.31 -0.00 0.00 1.31 0.00 0.00 55.95 57.00 2d8i s SER 34 Cb -0.12 -0.96 0.02 0.00 0.21 0.00 0.00 66.02 65.17 2d8i s SER 34 CO -0.00 -0.58 -0.03 -0.76 0.41 0.00 0.00 173.24 172.28 2d8i s LEU 35 N -4.24 1.03 -0.16 2.44 1.43 -1.26 -1.89 118.68 116.03 2d8i s LEU 35 Ca 0.49 -0.14 -0.07 0.00 -1.03 0.00 0.00 54.13 53.38 2d8i s LEU 35 Cb -0.09 -0.51 -0.04 0.00 0.03 0.00 0.00 46.19 45.57 2d8i s LEU 35 CO 0.32 -0.12 0.08 -0.55 0.23 0.00 0.00 176.35 176.31 2d8i s SER 36 N 1.43 5.84 0.04 2.29 0.15 0.59 -4.83 113.70 119.22 2d8i s SER 36 Ca -0.03 0.20 -0.22 0.00 0.70 0.00 0.00 55.95 56.60 2d8i s SER 36 Cb -0.13 -1.94 -0.06 0.00 -1.71 0.00 0.00 66.02 62.18 2d8i s SER 36 CO -0.03 0.25 0.66 -0.94 1.20 0.00 0.00 173.24 174.38 2d8i s SER 37 N -0.10 7.10 -0.10 5.45 1.04 -1.26 -1.07 113.70 124.76 2d8i s SER 37 Ca 0.08 1.31 -0.03 0.00 0.48 0.00 0.00 55.95 57.79 2d8i s SER 37 Cb -0.12 -2.41 0.04 0.00 0.10 0.00 0.00 66.02 63.64 2d8i s SER 37 CO 0.01 0.12 0.06 -0.69 0.98 0.00 0.00 173.24 173.72 2d8i s VAL 38 N -0.43 0.05 -0.09 5.02 1.01 -0.47 -4.99 120.40 120.50 2d8i s VAL 38 Ca 0.33 0.08 -0.10 0.00 0.00 0.00 0.00 61.98 62.29 2d8i s VAL 38 Cb -0.20 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.69 2d8i s VAL 38 CO 0.20 0.01 0.23 -0.70 0.00 0.00 0.00 175.10 174.84 2d8i s GLU 39 N 2.09 3.67 -0.20 2.72 -6.30 -1.26 -2.49 118.70 116.92 2d8i s GLU 39 Ca 0.03 0.05 -0.04 0.00 -2.50 0.00 0.00 54.97 52.51 2d8i s GLU 39 Cb -0.14 -3.22 0.10 0.00 0.00 0.00 0.00 34.13 30.87 2d8i s GLU 39 CO -0.06 0.70 0.29 -1.21 0.02 0.00 0.00 175.26 175.00 2d8i s GLU 40 N -0.90 0.24 -1.58 4.30 2.02 0.11 -4.86 118.70 118.03 2d8i s GLU 40 Ca 0.18 0.44 0.00 0.00 0.02 0.00 0.00 54.97 55.61 2d8i s GLU 40 Cb -0.13 -0.70 0.00 0.00 0.10 0.00 0.00 34.13 33.39 2d8i s GLU 40 CO 0.07 -0.57 0.00 -0.25 0.02 0.00 0.00 175.26 174.53 2d8i n ASP 41 N 5.34 -5.02 0.00 -0.19 8.00 -1.26 -1.92 116.55 121.50 2d8i n ASP 41 Ca -0.05 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.59 2d8i n ASP 41 Cb 0.50 -4.07 0.00 0.00 -0.02 0.00 0.00 41.12 37.52 2d8i n ASP 41 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2d8i n GLY 42 N -0.97 2.80 3.66 0.44 0.00 -1.26 -5.04 105.19 104.83 2d8i n GLY 42 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.84 4.47 -0.12 -0.61 1.09 -0.81 -5.02 121.20 117.36 2d8i s ILE 43 Ca 0.00 1.78 0.01 0.00 -1.10 0.00 0.00 60.65 61.34 2d8i s ILE 43 Cb 0.00 -4.15 -0.01 0.00 -1.06 0.00 0.00 42.46 37.25 2d8i s ILE 43 CO 0.00 -0.13 -0.17 -0.60 -0.10 0.00 0.00 174.94 173.94 2d8i s ARG 44 N 3.18 3.26 0.25 2.79 3.00 -1.26 0.08 118.95 130.24 2d8i s ARG 44 Ca 0.50 -0.75 0.01 0.00 -1.00 0.00 0.00 55.73 54.49 2d8i s ARG 44 Cb -0.19 -2.52 -0.04 0.00 0.00 0.00 0.00 34.95 32.20 2d8i s ARG 44 CO 0.12 0.20 0.15 1.03 0.00 0.00 0.00 175.30 176.80 2d8i s ARG 45 N 0.36 1.38 0.05 5.12 0.52 -1.04 -3.55 118.95 121.80 2d8i s ARG 45 Ca -0.14 -1.76 0.04 0.00 -0.52 0.00 0.00 55.73 53.36 2d8i s ARG 45 Cb -0.17 0.14 -0.04 0.00 0.52 0.00 0.00 34.95 35.41 2d8i s ARG 45 CO 0.07 -0.43 -0.06 -0.51 0.02 0.00 0.00 175.30 174.39 2d8i s LEU 46 N -3.25 3.21 -0.01 2.53 2.01 -1.26 -1.37 118.68 120.54 2d8i s LEU 46 Ca 0.39 -0.21 0.00 0.00 0.01 0.00 0.00 54.13 54.32 2d8i s LEU 46 Cb 0.06 -1.90 0.01 0.00 0.01 0.00 0.00 46.19 44.36 2d8i s LEU 46 CO 0.16 0.23 -0.01 -0.31 1.01 0.00 0.00 176.35 177.43 2d8i s TYR 47 N -1.12 0.17 -0.07 0.29 1.51 -0.23 -1.20 117.35 116.69 2d8i s TYR 47 Ca 0.20 -0.01 -0.29 0.00 -1.01 0.00 0.00 57.07 55.96 2d8i s TYR 47 Cb -0.11 -0.17 -0.07 0.00 -0.11 0.00 0.00 41.96 41.50 2d8i s TYR 47 CO 0.11 -0.03 1.97 0.08 -1.11 0.00 0.00 175.55 176.57 2d8i s VAL 48 N 0.26 3.15 -0.16 0.71 1.01 0.98 -0.30 120.40 126.05 2d8i s VAL 48 Ca -0.02 0.17 -0.24 0.00 0.00 0.00 0.00 61.98 61.89 2d8i s VAL 48 Cb -0.04 -3.14 -0.21 0.00 0.00 0.00 0.00 36.38 32.99 2d8i s VAL 48 CO -0.01 -0.04 0.51 -1.13 0.00 0.00 0.00 175.10 174.43 2d8i h ASN 49 N 11.76 0.00 -5.30 3.32 -1.24 -1.70 -2.29 115.58 120.14 2d8i h ASN 49 Ca -0.44 -0.74 -0.14 0.00 0.71 0.00 0.00 56.30 55.69 2d8i h ASN 49 Cb 1.22 0.00 -0.15 0.00 0.73 0.00 0.00 38.32 40.13 2d8i h ASN 49 CO 0.95 1.11 -0.59 -0.44 -1.29 0.00 0.00 177.43 177.17 2d8i s SER 50 N -6.35 0.33 -0.08 1.15 0.01 -1.26 -4.55 113.70 102.95 2d8i s SER 50 Ca -0.21 -1.02 -0.06 0.00 1.31 0.00 0.00 55.95 55.97 2d8i s SER 50 Cb 0.00 0.28 0.03 0.00 0.21 0.00 0.00 66.02 66.53 2d8i s SER 50 CO 0.59 -0.69 0.21 -0.69 0.41 0.00 0.00 173.24 173.07 2d8i s VAL 51 N -3.96 -0.01 -0.01 3.43 1.01 -1.26 -2.41 120.40 117.18 2d8i s VAL 51 Ca 0.14 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 2d8i s VAL 51 Cb 0.07 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 2d8i s VAL 51 CO -0.05 0.02 1.05 -1.59 0.00 0.00 0.00 175.10 174.54 2d8i s LYS 52 N 0.47 4.48 0.05 2.72 -2.85 -1.24 -4.95 119.74 118.41 2d8i s LYS 52 Ca -0.03 1.51 -0.30 0.00 -1.00 0.00 0.00 55.97 56.15 2d8i s LYS 52 Cb -0.04 -3.46 -0.18 0.00 -2.06 0.00 0.00 37.83 32.09 2d8i s LYS 52 CO -0.02 -0.19 1.44 1.49 0.10 0.00 0.00 175.35 178.17 2d8i h GLU 53 N 6.93 -0.79 -2.12 1.78 4.81 -1.98 -3.10 114.58 120.10 2d8i h GLU 53 Ca -0.38 0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 58.74 2d8i h GLU 53 Cb 1.20 0.18 -0.06 0.00 0.63 0.00 0.00 28.75 30.70 2d8i h GLU 53 CO 0.80 -0.49 -0.26 0.25 -0.73 0.00 0.00 179.01 178.58 2d8i n THR 54 N -5.40 2.56 0.00 0.32 -2.24 -1.26 -4.60 114.28 103.66 2d8i n THR 54 Ca -0.13 -1.26 0.00 0.00 -2.27 0.00 0.00 64.05 60.40 2d8i n THR 54 Cb 0.35 -1.91 0.00 0.00 -2.10 0.00 0.00 70.33 66.67 2d8i n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2d8i n GLY 55 N 2.51 5.00 0.00 3.38 0.00 -1.17 -5.09 105.19 109.82 2d8i n GLY 55 Ca 0.35 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 0.33 -0.08 0.99 4.77 -1.26 -4.67 117.00 117.09 2d8i n LEU 56 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 2d8i n LEU 56 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 2d8i n LEU 56 CO 0.00 0.06 0.56 0.00 -1.33 0.00 0.00 177.39 176.68 2d8i h ALA 57 N 0.00 0.34 -0.75 -1.18 0.00 -1.93 0.39 119.26 116.13 2d8i h ALA 57 Ca 0.00 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.56 2d8i h ALA 57 Cb 0.75 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 2d8i h ALA 57 CO 0.00 0.32 0.47 0.66 0.00 0.00 0.00 179.25 180.70 2d8i h SER 58 N 0.27 0.76 0.13 0.00 4.64 -1.72 0.46 113.55 118.09 2d8i h SER 58 Ca 0.03 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.17 2d8i h SER 58 Cb 0.82 -0.16 0.02 0.00 -0.31 0.00 0.00 62.40 62.77 2d8i h SER 58 CO 0.06 0.51 -0.82 0.07 -0.87 0.00 0.00 176.83 175.78 2d8i h LYS 59 N 0.90 0.33 -0.31 4.77 2.10 -1.80 -3.35 116.57 119.20 2d8i h LYS 59 Ca 0.31 -0.53 0.07 0.00 -2.00 0.00 0.00 60.65 58.50 2d8i h LYS 59 Cb 0.06 0.19 -0.07 0.00 -0.90 0.00 0.00 32.23 31.51 2d8i h LYS 59 CO -0.13 1.24 -0.14 0.87 -2.00 0.00 0.00 179.45 179.29 2d8i h LYS 60 N -0.31 -0.09 0.00 0.07 1.79 -0.03 -3.45 116.57 114.55 2d8i h LYS 60 Ca -0.14 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 2d8i h LYS 60 Cb 1.63 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 32.30 2d8i h LYS 60 CO 0.16 -0.06 0.00 0.41 -1.08 0.00 0.00 179.45 178.87 2d8i n GLY 61 N -1.32 0.00 3.17 3.86 0.00 -0.19 -5.06 105.19 105.65 2d8i n GLY 61 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 2.25 0.11 0.99 1.43 0.14 -5.00 118.68 118.60 2d8i s LEU 62 Ca 0.00 -0.58 -0.14 0.00 -1.03 0.00 0.00 54.13 52.39 2d8i s LEU 62 Cb 0.00 -0.58 0.02 0.00 0.03 0.00 0.00 46.19 45.66 2d8i s LEU 62 CO 0.00 -0.03 0.33 -0.54 0.23 0.00 0.00 176.35 176.35 2d8i s LYS 63 N -1.57 0.98 -0.84 1.70 -0.14 -1.26 -4.13 119.74 114.47 2d8i s LYS 63 Ca -0.00 -0.75 -0.25 0.00 -1.36 0.00 0.00 55.97 53.61 2d8i s LYS 63 Cb -0.09 0.42 -0.04 0.00 -1.68 0.00 0.00 37.83 36.44 2d8i s LYS 63 CO 0.02 -0.36 1.91 0.00 -0.76 0.00 0.00 175.35 176.16 2d8i s ALA 64 N -3.69 1.81 0.00 5.17 0.00 -1.26 -3.40 121.76 120.39 2d8i s ALA 64 Ca 0.03 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.64 2d8i s ALA 64 Cb 0.02 -4.50 0.00 0.00 0.00 0.00 0.00 23.12 18.65 2d8i s ALA 64 CO -0.11 -4.57 0.00 0.41 0.00 0.00 0.00 175.76 171.49 2d8i n GLY 65 N 6.59 0.00 3.19 0.00 0.00 -0.86 -4.96 105.19 109.16 2d8i n GLY 65 Ca 0.35 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 2.14 -0.01 1.61 -1.08 -1.22 -4.98 116.67 113.13 2d8i s ASP 66 Ca 0.00 -0.43 -0.11 0.00 -0.52 0.00 0.00 52.55 51.49 2d8i s ASP 66 Cb 0.00 -0.19 -0.05 0.00 -1.46 0.00 0.00 42.92 41.21 2d8i s ASP 66 CO 0.00 0.16 0.33 -1.83 0.52 0.00 0.00 175.17 174.35 2d8i s GLU 67 N -0.86 3.75 -0.33 4.34 1.03 -1.26 -0.01 118.70 125.35 2d8i s GLU 67 Ca 0.06 0.21 -0.12 0.00 0.03 0.00 0.00 54.97 55.15 2d8i s GLU 67 Cb -0.08 -3.17 -0.01 0.00 -0.80 0.00 0.00 34.13 30.07 2d8i s GLU 67 CO 0.01 0.69 0.21 0.42 -1.33 0.00 0.00 175.26 175.26 2d8i s ILE 68 N -1.14 5.04 -0.10 1.83 -1.09 -0.34 -4.53 121.20 120.87 2d8i s ILE 68 Ca 0.23 -0.32 -0.24 0.00 -2.23 0.00 0.00 60.65 58.09 2d8i s ILE 68 Cb -0.15 -3.60 -0.21 0.00 -1.58 0.00 0.00 42.46 36.92 2d8i s ILE 68 CO 0.12 -0.01 0.79 -0.07 -1.23 0.00 0.00 174.94 174.55 2d8i h LEU 69 N 8.45 -0.03 -8.19 2.97 3.38 -1.71 -3.39 115.31 116.79 2d8i h LEU 69 Ca -0.31 -0.72 -0.22 0.00 0.09 0.00 0.00 57.88 56.71 2d8i h LEU 69 Cb 1.15 0.01 -0.19 0.00 0.09 0.00 0.00 40.66 41.72 2d8i h LEU 69 CO 0.63 0.78 -0.71 -1.61 0.09 0.00 0.00 178.44 177.62 2d8i s GLU 70 N -2.67 0.55 -0.29 1.13 2.02 -1.25 -3.09 118.70 115.10 2d8i s GLU 70 Ca -0.16 -0.90 -0.00 0.00 0.02 0.00 0.00 54.97 53.93 2d8i s GLU 70 Cb -0.01 -0.12 0.09 0.00 0.10 0.00 0.00 34.13 34.19 2d8i s GLU 70 CO 0.59 -0.01 0.07 0.42 0.02 0.00 0.00 175.26 176.35 2d8i s ILE 71 N -2.17 1.05 -1.25 -1.63 1.01 0.71 -1.96 121.20 116.95 2d8i s ILE 71 Ca -0.05 -1.39 -0.04 0.00 0.00 0.00 0.00 60.65 59.17 2d8i s ILE 71 Cb -0.05 -1.72 0.00 0.00 0.01 0.00 0.00 42.46 40.71 2d8i s ILE 71 CO -0.02 -0.56 1.07 0.59 0.00 0.00 0.00 174.94 176.01 2d8i n ASN 72 N 4.79 -3.90 -2.23 3.58 3.02 0.13 -2.64 115.26 118.01 2d8i n ASN 72 Ca -0.03 -0.58 -0.13 0.00 -0.03 0.00 0.00 54.58 53.82 2d8i n ASN 72 Cb 0.43 -5.02 0.05 0.00 -0.61 0.00 0.00 39.78 34.62 2d8i n ASN 72 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2d8i n ASN 73 N -3.04 -4.02 -3.78 6.41 3.02 -1.26 -5.04 115.26 107.56 2d8i n ASN 73 Ca -0.16 -0.31 -0.13 0.00 -0.03 0.00 0.00 54.58 53.96 2d8i n ASN 73 Cb 0.62 -3.01 -0.13 0.00 -0.61 0.00 0.00 39.78 36.64 2d8i n ASN 73 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2d8i s ARG 74 N -5.56 0.15 0.00 3.52 1.81 -1.08 -5.13 118.95 112.66 2d8i s ARG 74 Ca 0.27 0.32 -0.30 0.00 -1.72 0.00 0.00 55.73 54.30 2d8i s ARG 74 Cb -0.12 -0.05 -0.06 0.00 -0.45 0.00 0.00 34.95 34.28 2d8i s ARG 74 CO 0.40 -0.10 1.43 0.00 -0.68 0.00 0.00 175.30 176.36 2d8i s ALA 75 N 0.68 3.60 0.15 2.13 0.00 -1.26 -0.21 121.76 126.84 2d8i s ALA 75 Ca -0.05 0.91 -0.28 0.00 0.00 0.00 0.00 51.96 52.54 2d8i s ALA 75 Cb -0.07 -3.61 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 2d8i s ALA 75 CO -0.03 -0.95 1.57 0.00 0.00 0.00 0.00 175.76 176.34 2d8i h ALA 76 N 7.94 -0.52 -0.91 0.00 0.00 -1.82 0.66 119.26 124.61 2d8i h ALA 76 Ca -0.38 0.04 0.23 0.00 0.00 0.00 0.00 54.91 54.80 2d8i h ALA 76 Cb 1.18 0.93 -0.13 0.00 0.00 0.00 0.00 17.79 19.77 2d8i h ALA 76 CO 0.91 -0.91 0.41 0.38 0.00 0.00 0.00 179.25 180.03 2d8i h ASP 77 N -0.36 0.35 -0.25 0.00 3.04 -1.87 0.44 116.42 117.76 2d8i h ASP 77 Ca 0.12 0.16 -0.06 0.00 -3.24 0.00 0.00 57.03 54.00 2d8i h ASP 77 Cb 0.60 0.13 -0.02 0.00 -1.04 0.00 0.00 39.33 39.00 2d8i h ASP 77 CO -0.56 -0.01 -0.03 0.00 -2.04 0.00 0.00 179.24 176.60 2d8i h ALA 78 N 1.72 1.27 -2.37 4.15 0.00 -1.25 -3.42 119.26 119.36 2d8i h ALA 78 Ca 0.58 -0.23 -0.54 0.00 0.00 0.00 0.00 54.91 54.71 2d8i h ALA 78 Cb 1.11 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2d8i h ALA 78 CO -0.54 0.49 0.49 -0.51 0.00 0.00 0.00 179.25 179.19 2d8i s LEU 79 N -9.04 4.33 0.39 0.00 1.43 0.16 -5.04 118.68 110.91 2d8i s LEU 79 Ca -0.08 1.71 0.08 0.00 -1.03 0.00 0.00 54.13 54.81 2d8i s LEU 79 Cb 0.15 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.78 2d8i s LEU 79 CO 0.78 -0.38 0.36 0.54 0.23 0.00 0.00 176.35 177.88 2d8i s ASN 80 N 1.10 5.13 0.43 2.29 2.20 -1.26 -4.84 114.94 119.98 2d8i s ASN 80 Ca 0.53 -0.67 0.30 0.00 -0.94 0.00 0.00 52.86 52.08 2d8i s ASN 80 Cb -0.22 -0.68 1.45 0.00 -2.00 0.00 0.00 41.25 39.80 2d8i s ASN 80 CO 0.25 -0.58 1.54 -1.54 -2.94 0.00 0.00 177.10 173.84 2d8i n SER 81 N -1.51 0.23 0.15 3.54 3.41 -1.26 -0.90 113.62 117.28 2d8i n SER 81 Ca 0.02 1.41 -0.06 0.00 -0.26 0.00 0.00 58.87 59.98 2d8i n SER 81 Cb 0.61 -0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 63.84 2d8i n SER 81 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2d8i h SER 82 N 0.00 -0.34 -0.47 4.04 0.87 -2.00 -2.42 113.55 113.23 2d8i h SER 82 Ca 0.87 0.01 0.09 0.00 -1.23 0.00 0.00 61.79 61.53 2d8i h SER 82 Cb 2.72 0.09 -0.10 0.00 -0.44 0.00 0.00 62.40 64.67 2d8i h SER 82 CO -0.50 -0.18 -0.24 0.24 -0.53 0.00 0.00 176.83 175.61 2d8i h MET 83 N -0.52 -0.13 -0.77 2.24 2.86 -1.39 -0.26 114.93 116.96 2d8i h MET 83 Ca -0.04 0.01 0.17 0.00 -2.06 0.00 0.00 59.70 57.78 2d8i h MET 83 Cb 0.31 0.03 -0.12 0.00 0.06 0.00 0.00 31.60 31.88 2d8i h MET 83 CO 0.07 -0.09 0.19 -0.07 1.06 0.00 0.00 176.91 178.06 2d8i h LEU 84 N -0.14 0.01 -0.45 1.22 3.38 -1.11 -0.54 115.31 117.67 2d8i h LEU 84 Ca 0.22 0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.44 2d8i h LEU 84 Cb 0.48 0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.35 2d8i h LEU 84 CO -0.55 -0.06 -0.18 0.50 0.09 0.00 0.00 178.44 178.24 2d8i h LYS 85 N 0.26 -0.08 0.14 1.13 3.64 -0.51 -1.54 116.57 119.61 2d8i h LYS 85 Ca 0.44 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.85 2d8i h LYS 85 Cb 0.79 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.58 2d8i h LYS 85 CO -0.54 -0.05 -0.38 -0.44 -2.27 0.00 0.00 179.45 175.76 2d8i h ASP 86 N -0.08 -1.12 -0.37 4.20 5.19 -0.95 -2.00 116.42 121.29 2d8i h ASP 86 Ca 0.22 0.12 0.06 0.00 -0.62 0.00 0.00 57.03 56.81 2d8i h ASP 86 Cb 0.42 0.42 -0.08 0.00 0.18 0.00 0.00 39.33 40.26 2d8i h ASP 86 CO -0.51 -0.47 -0.49 -0.26 -3.12 0.00 0.00 179.24 174.39 2d8i h PHE 87 N -0.63 -1.47 -0.02 4.55 0.04 -1.10 0.69 116.94 119.01 2d8i h PHE 87 Ca 0.02 0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.87 2d8i h PHE 87 Cb 0.65 0.69 -0.00 0.00 2.20 0.00 0.00 35.95 39.49 2d8i h PHE 87 CO -0.33 -0.48 0.32 -0.07 -0.60 0.00 0.00 178.31 177.16 2d8i h LEU 88 N -0.39 0.00 -3.92 1.54 3.38 -1.06 0.19 115.31 115.06 2d8i h LEU 88 Ca 0.10 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.50 2d8i h LEU 88 Cb 0.60 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.06 2d8i h LEU 88 CO -0.56 0.00 0.57 -1.20 0.09 0.00 0.00 178.44 177.34 2d8i n SER 89 N -2.93 5.65 -4.43 -0.43 7.64 0.24 -4.68 113.62 114.68 2d8i n SER 89 Ca -0.02 -3.73 -0.27 0.00 1.01 0.00 0.00 58.87 55.86 2d8i n SER 89 Cb 0.37 -0.85 -0.12 0.00 -1.01 0.00 0.00 64.21 62.61 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 -3.58 1.53 0.35 1.43 -0.21 0.67 -4.98 119.66 114.87 2d8i s GLN 90 Ca 0.59 -1.46 0.14 0.00 0.02 0.00 0.00 55.36 54.65 2d8i s GLN 90 Cb 0.48 -1.88 0.65 0.00 1.00 0.00 0.00 33.01 33.26 2d8i s GLN 90 CO 0.03 0.42 1.76 -1.00 -2.12 0.00 0.00 175.29 174.38 2d8i h PRO 91 N 3.36 0.00 -3.58 2.91 0.13 -1.93 -3.43 132.00 129.46 2d8i h PRO 91 Ca -0.48 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.31 2d8i h PRO 91 Cb 1.20 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.97 2d8i h PRO 91 CO 0.46 0.43 -0.74 -1.54 -0.23 0.00 0.00 178.00 176.38 2d8i s SER 92 N -6.75 0.58 0.06 1.44 1.04 -1.26 -0.24 113.70 108.58 2d8i s SER 92 Ca -0.02 0.01 0.07 0.00 0.48 0.00 0.00 55.95 56.49 2d8i s SER 92 Cb 0.13 -0.18 -0.03 0.00 0.10 0.00 0.00 66.02 66.04 2d8i s SER 92 CO 0.72 -0.15 -0.20 -0.76 0.98 0.00 0.00 173.24 173.83 2d8i s LEU 93 N 1.35 2.22 -0.34 2.42 1.43 -0.43 -4.98 118.68 120.35 2d8i s LEU 93 Ca -0.05 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.48 2d8i s LEU 93 Cb -0.13 -0.90 0.11 0.00 0.03 0.00 0.00 46.19 45.29 2d8i s LEU 93 CO -0.03 0.11 0.11 -0.83 0.23 0.00 0.00 176.35 175.94 2d8i s GLY 94 N -1.44 1.37 0.45 -3.19 0.00 -1.26 -0.47 107.32 102.78 2d8i s GLY 94 Ca 0.06 -2.02 0.01 0.00 0.00 0.00 0.00 44.72 42.77 2d8i s GLY 94 CO 0.03 1.44 0.66 1.08 0.00 0.00 0.00 173.10 176.31 2d8i s LEU 95 N 1.26 3.65 -0.27 0.66 1.43 -1.08 0.20 118.68 124.52 2d8i s LEU 95 Ca 0.11 0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 53.42 2d8i s LEU 95 Cb -0.19 -3.11 0.09 0.00 0.03 0.00 0.00 46.19 43.01 2d8i s LEU 95 CO -0.17 -0.71 0.08 -0.22 0.23 0.00 0.00 176.35 175.55 2d8i s LEU 96 N -4.54 1.66 0.29 1.79 2.96 -0.83 -2.84 118.68 117.17 2d8i s LEU 96 Ca 0.49 -1.32 0.10 0.00 -0.22 0.00 0.00 54.13 53.18 2d8i s LEU 96 Cb -0.10 -0.71 -0.05 0.00 0.50 0.00 0.00 46.19 45.83 2d8i s LEU 96 CO 0.37 -0.38 -0.06 0.68 -1.32 0.00 0.00 176.35 175.64 2d8i s VAL 97 N 1.76 2.92 0.15 1.68 -7.23 -1.20 -1.99 120.40 116.48 2d8i s VAL 97 Ca 0.06 -2.09 0.05 0.00 -1.81 0.00 0.00 61.98 58.19 2d8i s VAL 97 Cb -0.17 -2.66 -0.04 0.00 0.56 0.00 0.00 36.38 34.07 2d8i s VAL 97 CO -0.21 -0.34 0.08 -0.13 -0.31 0.00 0.00 175.10 174.19 2d8i s ARG 98 N -3.63 2.73 0.11 4.82 0.52 -1.26 -1.26 118.95 120.97 2d8i s ARG 98 Ca 0.32 -0.90 -0.12 0.00 -0.52 0.00 0.00 55.73 54.50 2d8i s ARG 98 Cb -0.04 -2.57 0.01 0.00 0.52 0.00 0.00 34.95 32.87 2d8i s ARG 98 CO 0.18 0.49 0.29 -0.08 0.02 0.00 0.00 175.30 176.20 2d8i s THR 99 N -1.65 0.11 0.03 0.02 -1.32 0.15 -4.92 115.64 108.06 2d8i s THR 99 Ca 0.29 -0.93 -0.24 0.00 -1.21 0.00 0.00 61.69 59.60 2d8i s THR 99 Cb -0.10 -1.29 -0.05 0.00 -1.51 0.00 0.00 72.50 69.54 2d8i s THR 99 CO 0.21 -0.49 0.74 -0.31 -2.21 0.00 0.00 174.62 172.57 2d8i s TYR 100 N -3.84 3.72 -0.10 9.09 1.51 -1.26 -0.26 117.35 126.20 2d8i s TYR 100 Ca 0.05 1.42 -0.29 0.00 -1.01 0.00 0.00 57.07 57.24 2d8i s TYR 100 Cb 0.03 -2.79 -0.04 0.00 -0.11 0.00 0.00 41.96 39.05 2d8i s TYR 100 CO -0.11 0.27 1.53 -1.25 -1.11 0.00 0.00 175.55 174.88 2d8i s PRO 101 N -0.02 4.17 0.25 -1.71 0.04 -1.26 -4.96 135.00 131.50 2d8i s PRO 101 Ca 0.37 1.99 -0.01 0.00 0.04 0.00 0.00 61.00 63.39 2d8i s PRO 101 Cb -0.20 -3.92 0.01 0.00 0.04 0.00 0.00 34.50 30.42 2d8i s PRO 101 CO 0.22 -0.84 0.34 0.39 0.04 0.00 0.00 177.00 177.16 2d8i n GLU 102 N 7.01 0.50 -0.03 4.56 -0.58 -1.26 -5.02 120.64 125.82 2d8i n GLU 102 Ca 0.16 -1.96 0.06 0.00 -0.42 0.00 0.00 57.16 55.00 2d8i n GLU 102 Cb 0.44 1.89 0.33 0.00 -0.57 0.00 0.00 31.44 33.53 2d8i n GLU 102 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 2d8i n LEU 103 N 0.00 0.42 -3.16 -4.62 -0.00 -1.26 -4.08 117.00 104.30 2d8i n LEU 103 Ca 0.00 -0.19 -0.38 0.00 -0.00 0.00 0.00 56.01 55.44 2d8i n LEU 103 Cb 0.41 -0.04 0.02 0.00 -0.00 0.00 0.00 43.42 43.82 2d8i n LEU 103 CO 0.20 0.09 1.28 1.21 -0.00 0.00 0.00 177.39 180.18 2d8i n GLU 104 N -0.42 3.88 -4.07 1.47 4.07 -1.26 -4.94 120.64 119.36 2d8i n GLU 104 Ca 0.10 -4.15 -0.32 0.00 -0.06 0.00 0.00 57.16 52.73 2d8i n GLU 104 Cb 0.11 -2.34 -0.16 0.00 -0.06 0.00 0.00 31.44 28.98 2d8i n GLU 104 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 2d8i s GLU 105 N -4.09 2.59 0.00 5.31 -6.30 -1.26 -5.04 118.70 109.91 2d8i s GLU 105 Ca 0.46 -0.88 0.00 0.00 -2.50 0.00 0.00 54.97 52.05 2d8i s GLU 105 Cb 0.33 -2.53 0.00 0.00 0.00 0.00 0.00 34.13 31.93 2d8i s GLU 105 CO -0.27 -0.31 0.00 0.41 0.02 0.00 0.00 175.26 175.11 2d8i n GLY 106 N 4.62 4.12 3.65 -1.50 0.00 -1.26 -5.09 105.19 109.74 2d8i n GLY 106 Ca -0.18 -0.75 -0.48 0.00 0.00 0.00 0.00 46.02 44.62 2d8i n GLY 106 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2d8i n VAL 107 N 0.00 0.05 -3.66 1.61 0.24 -1.26 -4.97 118.33 110.34 2d8i n VAL 107 Ca 0.00 -0.01 -0.12 0.00 -2.04 0.00 0.00 64.34 62.17 2d8i n VAL 107 Cb 0.00 -1.41 -0.08 0.00 -1.47 0.00 0.00 33.84 30.88 2d8i n VAL 107 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2d8i s GLU 108 N 1.11 0.69 1.38 7.34 2.12 -1.26 -5.17 118.70 124.91 2d8i s GLU 108 Ca 0.81 0.96 -0.20 0.00 0.36 0.00 0.00 54.97 56.90 2d8i s GLU 108 Cb -0.74 0.26 0.36 0.00 0.26 0.00 0.00 34.13 34.26 2d8i s GLU 108 CO 0.41 -0.11 0.94 -1.54 -0.54 0.00 0.00 175.26 174.42 2d8i s SER 109 N 0.79 -0.74 -0.60 -1.70 1.04 -1.26 -4.99 113.70 106.24 2d8i s SER 109 Ca -0.04 1.11 0.04 0.00 0.48 0.00 0.00 55.95 57.54 2d8i s SER 109 Cb -0.05 -1.64 0.16 0.00 0.10 0.00 0.00 66.02 64.59 2d8i s SER 109 CO -0.06 -5.20 0.39 -0.83 0.98 0.00 0.00 173.24 168.52 2d8i s GLY 110 N -2.81 2.48 -0.91 7.32 0.00 -1.26 -5.05 107.32 107.09 2d8i s GLY 110 Ca 0.68 -3.40 -0.24 0.00 0.00 0.00 0.00 44.72 41.76 2d8i s GLY 110 CO 0.61 1.24 1.95 2.56 0.00 0.00 0.00 173.10 179.45 2d8i s PRO 111 N -0.79 2.55 0.32 2.90 0.04 -1.26 -4.96 135.00 133.80 2d8i s PRO 111 Ca 0.23 -0.32 -0.04 0.00 0.04 0.00 0.00 61.00 60.90 2d8i s PRO 111 Cb -0.11 -5.07 -0.05 0.00 0.04 0.00 0.00 34.50 29.31 2d8i s PRO 111 CO -0.11 -3.40 0.58 0.45 0.04 0.00 0.00 177.00 174.56 2d8i s SER 112 N 7.97 6.41 -0.62 6.66 0.15 -1.26 -4.96 113.70 128.06 2d8i s SER 112 Ca 0.70 0.71 -0.30 0.00 0.70 0.00 0.00 55.95 57.76 2d8i s SER 112 Cb -0.06 -2.14 -0.13 0.00 -1.71 0.00 0.00 66.02 61.97 2d8i s SER 112 CO -0.00 -0.25 2.44 -1.54 1.20 0.00 0.00 173.24 175.09 2d8i n SER 113 N -1.19 1.59 0.00 5.45 3.41 -1.26 -5.34 113.62 116.29 2d8i n SER 113 Ca -0.02 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 2d8i n SER 113 Cb 0.54 -1.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.22 2d8i n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49