#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 5.77 -0.21 1.61 0.15 -1.26 -5.05 113.70 114.72 2d8i s SER 2 Ca 0.00 -0.98 -0.29 0.00 0.70 0.00 0.00 55.95 55.38 2d8i s SER 2 Cb 0.00 -2.04 -0.03 0.00 -1.71 0.00 0.00 66.02 62.24 2d8i s SER 2 CO 0.00 -0.39 1.72 -0.55 1.20 0.00 0.00 173.24 175.22 2d8i s SER 3 N 1.57 6.26 0.00 5.45 0.15 -1.26 -4.30 113.70 121.56 2d8i s SER 3 Ca 0.02 1.71 0.00 0.00 0.70 0.00 0.00 55.95 58.39 2d8i s SER 3 Cb -0.19 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 2d8i s SER 3 CO 0.07 -1.34 0.00 0.61 1.20 0.00 0.00 173.24 173.78 2d8i n GLY 4 N 4.81 -1.82 3.50 9.45 0.00 -1.26 -5.10 105.19 114.78 2d8i n GLY 4 Ca 0.20 0.62 -0.43 0.00 0.00 0.00 0.00 46.02 46.41 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 -2.08 6.23 0.01 1.61 0.15 -1.26 -5.05 113.70 113.32 2d8i s SER 5 Ca 0.00 -0.49 0.05 0.00 0.70 0.00 0.00 55.95 56.20 2d8i s SER 5 Cb 0.00 -2.24 -0.02 0.00 -1.71 0.00 0.00 66.02 62.05 2d8i s SER 5 CO 0.00 -0.57 -0.14 -0.94 1.20 0.00 0.00 173.24 172.79 2d8i s SER 6 N 1.83 1.65 -0.24 5.45 1.04 -1.26 -5.04 113.70 117.13 2d8i s SER 6 Ca 0.14 -0.35 0.19 0.00 0.48 0.00 0.00 55.95 56.41 2d8i s SER 6 Cb -0.16 -0.14 0.44 0.00 0.10 0.00 0.00 66.02 66.25 2d8i s SER 6 CO 0.14 0.10 1.24 0.61 0.98 0.00 0.00 173.24 176.31 2d8i n GLY 7 N 2.32 1.69 3.82 7.32 0.00 -1.26 -5.11 105.19 113.97 2d8i n GLY 7 Ca -0.16 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.95 3.97 0.51 1.61 8.01 -1.26 -5.04 118.70 124.55 2d8i s GLU 8 Ca 0.21 0.39 -0.20 0.00 0.01 0.00 0.00 54.97 55.38 2d8i s GLU 8 Cb 0.35 -3.25 -0.10 0.00 -4.31 0.00 0.00 34.13 26.81 2d8i s GLU 8 CO -0.08 0.62 0.52 0.44 0.01 0.00 0.00 175.26 176.77 2d8i n ILE 9 N 2.09 1.96 -1.84 -1.63 -5.35 -1.26 -4.96 119.36 108.38 2d8i n ILE 9 Ca -0.13 -0.50 -0.30 0.00 -0.27 0.00 0.00 62.75 61.55 2d8i n ILE 9 Cb 0.52 -0.62 0.06 0.00 -1.74 0.00 0.00 39.64 37.87 2d8i n ILE 9 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2d8i s GLU 10 N -1.85 2.51 -0.16 6.28 8.01 -1.26 -5.01 118.70 127.22 2d8i s GLU 10 Ca 0.66 0.40 0.12 0.00 0.01 0.00 0.00 54.97 56.16 2d8i s GLU 10 Cb -0.50 -1.99 -0.23 0.00 -4.31 0.00 0.00 34.13 27.10 2d8i s GLU 10 CO 0.56 -1.27 0.20 -0.89 0.01 0.00 0.00 175.26 173.87 2d8i n ILE 11 N -3.15 1.50 -0.03 -1.63 5.41 -1.26 -4.50 119.36 115.70 2d8i n ILE 11 Ca 0.07 -0.78 -0.15 0.00 1.00 0.00 0.00 62.75 62.90 2d8i n ILE 11 Cb 0.58 -0.89 -0.10 0.00 -0.71 0.00 0.00 39.64 38.52 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 -5.40 -3.12 -0.62 0.00 -0.04 -1.26 -4.93 135.00 119.64 2d8i n PRO 13 Ca -0.06 -1.72 -0.31 0.00 -0.04 0.00 0.00 63.50 61.38 2d8i n PRO 13 Cb 0.37 -1.61 0.20 0.00 -0.04 0.00 0.00 33.50 32.42 2d8i n PRO 13 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2d8i n LYS 14 N -4.79 -1.91 -4.17 0.54 5.02 -1.26 -4.74 118.16 106.85 2d8i n LYS 14 Ca 0.15 -0.54 -0.18 0.00 -2.02 0.00 0.00 58.31 55.72 2d8i n LYS 14 Cb 0.58 -1.79 -0.12 0.00 -0.02 0.00 0.00 35.03 33.68 2d8i n LYS 14 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2d8i s VAL 15 N -2.26 1.10 -0.27 -0.18 -7.23 0.67 -4.89 120.40 107.35 2d8i s VAL 15 Ca 0.58 -1.35 -0.26 0.00 -1.81 0.00 0.00 61.98 59.14 2d8i s VAL 15 Cb -0.14 -1.11 0.00 0.00 0.56 0.00 0.00 36.38 35.69 2d8i s VAL 15 CO 0.66 -0.27 0.90 0.42 -0.31 0.00 0.00 175.10 176.50 2d8i s THR 16 N -1.42 4.74 -0.15 5.32 -4.23 -1.26 -0.37 115.64 118.27 2d8i s THR 16 Ca -0.01 1.60 -0.06 0.00 -1.18 0.00 0.00 61.69 62.04 2d8i s THR 16 Cb -0.09 -4.21 -0.04 0.00 1.34 0.00 0.00 72.50 69.50 2d8i s THR 16 CO 0.02 -0.20 0.04 -1.58 -0.54 0.00 0.00 174.62 172.36 2d8i s GLN 17 N 3.08 3.66 -0.10 3.99 0.74 0.40 -4.96 119.66 126.47 2d8i s GLN 17 Ca 0.38 -0.36 -0.19 0.00 0.05 0.00 0.00 55.36 55.24 2d8i s GLN 17 Cb -0.14 -3.08 -0.04 0.00 1.10 0.00 0.00 33.01 30.85 2d8i s GLN 17 CO 0.10 0.42 0.54 0.45 -0.55 0.00 0.00 175.29 176.24 2d8i s SER 18 N -0.06 6.78 -0.11 6.67 0.15 -1.26 -2.33 113.70 123.53 2d8i s SER 18 Ca 0.06 0.93 0.01 0.00 0.70 0.00 0.00 55.95 57.65 2d8i s SER 18 Cb -0.12 -2.32 -0.01 0.00 -1.71 0.00 0.00 66.02 61.85 2d8i s SER 18 CO 0.01 -0.01 -0.15 -0.63 1.20 0.00 0.00 173.24 173.66 2d8i s ILE 19 N 0.57 2.86 -0.19 6.45 -1.09 0.14 -5.01 121.20 124.91 2d8i s ILE 19 Ca 0.29 -0.74 -0.02 0.00 -2.23 0.00 0.00 60.65 57.95 2d8i s ILE 19 Cb -0.16 -2.17 0.06 0.00 -1.58 0.00 0.00 42.46 38.61 2d8i s ILE 19 CO 0.13 0.54 -0.00 -1.38 -1.23 0.00 0.00 174.94 173.00 2d8i s HIS 20 N 0.17 1.44 -0.04 3.97 -3.43 -1.26 -1.00 115.29 115.13 2d8i s HIS 20 Ca -0.09 -1.07 -0.01 0.00 -0.80 0.00 0.00 55.06 53.09 2d8i s HIS 20 Cb -0.15 -1.19 -0.04 0.00 -1.43 0.00 0.00 32.58 29.77 2d8i s HIS 20 CO 0.05 -0.64 0.05 0.42 -2.00 0.00 0.00 174.74 172.62 2d8i s ILE 21 N 1.72 4.57 -0.16 -5.38 1.01 -0.13 -4.97 121.20 117.86 2d8i s ILE 21 Ca -0.02 -0.32 -0.06 0.00 0.00 0.00 0.00 60.65 60.25 2d8i s ILE 21 Cb -0.17 -3.02 0.08 0.00 0.01 0.00 0.00 42.46 39.36 2d8i s ILE 21 CO -0.07 0.47 0.35 -1.61 0.00 0.00 0.00 174.94 174.07 2d8i s GLU 22 N -1.35 0.26 0.43 2.79 8.01 -1.26 -1.18 118.70 126.40 2d8i s GLU 22 Ca 0.18 0.88 0.04 0.00 0.01 0.00 0.00 54.97 56.08 2d8i s GLU 22 Cb -0.12 0.14 0.00 0.00 -4.31 0.00 0.00 34.13 29.84 2d8i s GLU 22 CO 0.08 -0.25 0.61 0.15 0.01 0.00 0.00 175.26 175.86 2d8i s LYS 23 N 2.33 2.94 -0.07 1.61 1.02 -0.06 -5.01 119.74 122.49 2d8i s LYS 23 Ca -0.02 -0.85 -0.05 0.00 0.02 0.00 0.00 55.97 55.07 2d8i s LYS 23 Cb -0.12 -2.67 -0.02 0.00 -0.52 0.00 0.00 37.83 34.51 2d8i s LYS 23 CO -0.11 -0.25 -0.09 1.03 -0.92 0.00 0.00 175.35 175.01 2d8i h SER 24 N 0.54 0.00 -3.68 2.83 0.87 -1.91 -3.45 113.55 108.75 2d8i h SER 24 Ca -0.44 0.00 -0.70 0.00 -1.23 0.00 0.00 61.79 59.42 2d8i h SER 24 Cb 1.27 0.00 -0.34 0.00 -0.44 0.00 0.00 62.40 62.88 2d8i h SER 24 CO 0.53 0.40 -0.48 -0.62 -0.53 0.00 0.00 176.83 176.13 2d8i s ASP 25 N -4.68 5.29 0.15 6.23 -1.08 -1.26 -4.96 116.67 116.36 2d8i s ASP 25 Ca -0.08 -2.29 -0.16 0.00 -0.52 0.00 0.00 52.55 49.50 2d8i s ASP 25 Cb 0.01 -1.85 0.03 0.00 -1.46 0.00 0.00 42.92 39.65 2d8i s ASP 25 CO 0.11 -0.50 1.79 0.74 0.52 0.00 0.00 175.17 177.84 2d8i h THR 26 N 5.99 1.04 -0.92 1.71 2.02 -1.88 0.97 112.91 121.84 2d8i h THR 26 Ca -0.10 -0.15 0.31 0.00 0.77 0.00 0.00 66.41 67.23 2d8i h THR 26 Cb 1.02 0.55 -0.17 0.00 -1.74 0.00 0.00 68.15 67.81 2d8i h THR 26 CO 0.72 0.08 0.21 0.00 0.37 0.00 0.00 175.52 176.89 2d8i n ALA 27 N -2.23 0.66 -0.02 6.16 0.00 -1.26 -3.48 120.51 120.33 2d8i n ALA 27 Ca 0.01 0.97 -0.03 0.00 0.00 0.00 0.00 53.44 54.39 2d8i n ALA 27 Cb 0.06 -0.81 -0.01 0.00 0.00 0.00 0.00 19.45 18.69 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 -2.85 1.44 -1.82 0.00 0.00 -0.99 -4.98 120.51 111.31 2d8i n ALA 28 Ca 0.27 -0.33 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 2d8i n ALA 28 Cb 0.90 0.06 -0.03 0.00 0.00 0.00 0.00 19.45 20.38 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 -5.18 6.50 -0.13 0.00 1.01 0.33 -4.99 116.67 114.22 2d8i s ASP 29 Ca -0.09 2.65 -0.08 0.00 0.71 0.00 0.00 52.55 55.74 2d8i s ASP 29 Cb 0.01 -2.57 0.05 0.00 1.01 0.00 0.00 42.92 41.42 2d8i s ASP 29 CO 0.13 -0.94 0.32 0.42 0.21 0.00 0.00 175.17 175.31 2d8i s THR 30 N 2.49 -0.03 1.00 -1.27 -4.23 -1.26 -3.84 115.64 108.50 2d8i s THR 30 Ca 0.77 0.10 -0.18 0.00 -1.18 0.00 0.00 61.69 61.20 2d8i s THR 30 Cb -0.44 -0.47 -0.11 0.00 1.34 0.00 0.00 72.50 72.82 2d8i s THR 30 CO 0.34 0.04 -0.68 -1.22 -0.54 0.00 0.00 174.62 172.56 2d8i n TYR 31 N 3.96 -3.79 -1.83 3.99 4.01 -1.26 -4.94 117.16 117.29 2d8i n TYR 31 Ca -0.22 0.13 0.04 0.00 -0.16 0.00 0.00 57.90 57.69 2d8i n TYR 31 Cb 0.55 -1.49 0.08 0.00 -0.31 0.00 0.00 39.34 38.16 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 3.09 2.51 3.62 2.72 0.00 -1.26 -5.02 105.19 110.84 2d8i n GLY 32 Ca -0.00 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.27 3.13 0.39 1.61 -0.71 -1.26 -3.03 117.98 116.84 2d8i s PHE 33 Ca 0.23 0.02 0.08 0.00 -1.04 0.00 0.00 56.93 56.22 2d8i s PHE 33 Cb 0.23 -1.88 -0.02 0.00 -1.21 0.00 0.00 43.02 40.14 2d8i s PHE 33 CO -0.05 0.26 0.38 -1.12 -1.34 0.00 0.00 175.22 173.36 2d8i s SER 34 N -0.30 5.22 -0.02 1.98 0.01 -0.76 -4.95 113.70 114.87 2d8i s SER 34 Ca 0.06 -0.62 0.01 0.00 1.31 0.00 0.00 55.95 56.71 2d8i s SER 34 Cb -0.12 -0.71 0.01 0.00 0.21 0.00 0.00 66.02 65.41 2d8i s SER 34 CO 0.02 -0.58 -0.01 -0.76 0.41 0.00 0.00 173.24 172.32 2d8i s LEU 35 N -4.12 1.54 -0.16 2.44 1.43 -1.26 -1.89 118.68 116.65 2d8i s LEU 35 Ca 0.47 -0.03 -0.07 0.00 -1.03 0.00 0.00 54.13 53.47 2d8i s LEU 35 Cb -0.05 -0.17 -0.04 0.00 0.03 0.00 0.00 46.19 45.96 2d8i s LEU 35 CO 0.28 -0.04 0.08 -0.55 0.23 0.00 0.00 176.35 176.34 2d8i s SER 36 N 0.54 5.78 -0.21 2.29 0.15 0.22 -4.89 113.70 117.59 2d8i s SER 36 Ca -0.05 0.17 -0.14 0.00 0.70 0.00 0.00 55.95 56.63 2d8i s SER 36 Cb -0.08 -1.94 -0.04 0.00 -1.71 0.00 0.00 66.02 62.25 2d8i s SER 36 CO -0.01 0.24 0.31 -0.94 1.20 0.00 0.00 173.24 174.03 2d8i s SER 37 N -0.01 6.34 -0.11 5.45 1.04 -1.26 -1.90 113.70 123.25 2d8i s SER 37 Ca 0.07 0.39 -0.00 0.00 0.48 0.00 0.00 55.95 56.89 2d8i s SER 37 Cb -0.12 -2.18 0.02 0.00 0.10 0.00 0.00 66.02 63.84 2d8i s SER 37 CO 0.01 -0.00 -0.08 -0.69 0.98 0.00 0.00 173.24 173.46 2d8i s VAL 38 N 1.07 1.03 -0.23 5.02 1.01 -0.77 -5.00 120.40 122.53 2d8i s VAL 38 Ca 0.15 -0.31 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 2d8i s VAL 38 Cb -0.14 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 2d8i s VAL 38 CO 0.06 0.36 0.08 -0.70 0.00 0.00 0.00 175.10 174.90 2d8i s GLU 39 N 1.56 3.77 -0.11 2.72 2.12 -1.26 -0.80 118.70 126.71 2d8i s GLU 39 Ca 0.02 -0.43 -0.02 0.00 0.36 0.00 0.00 54.97 54.91 2d8i s GLU 39 Cb -0.13 -3.32 0.04 0.00 0.26 0.00 0.00 34.13 30.98 2d8i s GLU 39 CO -0.07 -0.05 0.00 -1.21 -0.54 0.00 0.00 175.26 173.40 2d8i s GLU 40 N 1.26 0.70 -1.68 4.30 0.41 -0.58 -4.80 118.70 118.32 2d8i s GLU 40 Ca 0.05 -0.06 0.00 0.00 -0.41 0.00 0.00 54.97 54.55 2d8i s GLU 40 Cb -0.15 -1.33 0.00 0.00 -1.78 0.00 0.00 34.13 30.87 2d8i s GLU 40 CO 0.04 -0.39 0.00 -0.25 -0.49 0.00 0.00 175.26 174.17 2d8i n ASP 41 N 5.10 -5.48 0.00 -0.19 8.00 -1.26 -0.45 116.55 122.27 2d8i n ASP 41 Ca -0.08 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2d8i n ASP 41 Cb 0.49 -4.60 0.00 0.00 -0.02 0.00 0.00 41.12 36.99 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 -0.92 1.65 3.47 0.44 0.00 -1.26 -5.01 105.19 103.57 2d8i n GLY 42 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.40 4.52 -0.24 -0.61 1.01 0.40 -5.02 121.20 118.86 2d8i s ILE 43 Ca 0.00 -0.22 -0.22 0.00 0.00 0.00 0.00 60.65 60.21 2d8i s ILE 43 Cb 0.00 -4.52 -0.01 0.00 0.01 0.00 0.00 42.46 37.93 2d8i s ILE 43 CO 0.00 -1.15 0.70 -0.60 0.00 0.00 0.00 174.94 173.89 2d8i s ARG 44 N 3.56 4.15 0.41 2.79 3.00 -1.26 -1.53 118.95 130.07 2d8i s ARG 44 Ca 0.22 0.70 0.07 0.00 -1.00 0.00 0.00 55.73 55.72 2d8i s ARG 44 Cb -0.17 -3.64 -0.07 0.00 0.00 0.00 0.00 34.95 31.07 2d8i s ARG 44 CO 0.13 -0.44 0.03 1.03 0.00 0.00 0.00 175.30 176.06 2d8i s ARG 45 N 2.57 2.00 0.04 5.12 0.52 0.02 -3.71 118.95 125.52 2d8i s ARG 45 Ca 0.30 -2.09 0.05 0.00 -0.52 0.00 0.00 55.73 53.47 2d8i s ARG 45 Cb -0.15 -1.68 -0.02 0.00 0.52 0.00 0.00 34.95 33.61 2d8i s ARG 45 CO 0.08 -0.07 -0.15 -0.51 0.02 0.00 0.00 175.30 174.67 2d8i s LEU 46 N -3.74 2.16 -0.02 2.53 2.01 -1.26 -1.85 118.68 118.51 2d8i s LEU 46 Ca 0.35 -0.45 0.00 0.00 0.01 0.00 0.00 54.13 54.04 2d8i s LEU 46 Cb 0.09 -0.66 0.02 0.00 0.01 0.00 0.00 46.19 45.65 2d8i s LEU 46 CO 0.18 0.06 0.01 -0.31 1.01 0.00 0.00 176.35 177.30 2d8i s TYR 47 N -0.80 0.15 -0.39 0.29 2.02 -0.80 -0.75 117.35 117.06 2d8i s TYR 47 Ca 0.03 0.04 -0.28 0.00 -0.37 0.00 0.00 57.07 56.49 2d8i s TYR 47 Cb -0.08 -0.24 -0.02 0.00 -0.40 0.00 0.00 41.96 41.22 2d8i s TYR 47 CO 0.01 -0.07 1.81 0.08 -1.57 0.00 0.00 175.55 175.81 2d8i s VAL 48 N 0.70 3.46 -0.02 0.71 1.01 0.13 -0.61 120.40 125.78 2d8i s VAL 48 Ca -0.06 0.43 -0.16 0.00 0.00 0.00 0.00 61.98 62.19 2d8i s VAL 48 Cb -0.09 -3.71 -0.09 0.00 0.00 0.00 0.00 36.38 32.49 2d8i s VAL 48 CO -0.02 -0.52 0.72 -1.13 0.00 0.00 0.00 175.10 174.16 2d8i h ASN 49 N 13.37 -0.49 -3.80 3.32 -0.73 -1.72 -2.91 115.58 122.62 2d8i h ASN 49 Ca -0.32 0.02 -0.36 0.00 1.87 0.00 0.00 56.30 57.51 2d8i h ASN 49 Cb 1.17 0.13 -0.14 0.00 0.27 0.00 0.00 38.32 39.74 2d8i h ASN 49 CO 1.08 -0.13 -0.70 -0.44 -0.37 0.00 0.00 177.43 176.87 2d8i s SER 50 N -4.49 1.94 -0.02 1.15 0.01 -1.25 -4.55 113.70 106.50 2d8i s SER 50 Ca -0.08 -1.07 0.01 0.00 1.31 0.00 0.00 55.95 56.12 2d8i s SER 50 Cb 0.01 -0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.22 2d8i s SER 50 CO 0.25 -0.35 -0.02 -0.69 0.41 0.00 0.00 173.24 172.85 2d8i s VAL 51 N -3.29 0.22 -0.11 3.43 1.01 -1.26 -1.83 120.40 118.58 2d8i s VAL 51 Ca 0.21 -0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.85 2d8i s VAL 51 Cb 0.03 -0.25 -0.07 0.00 0.00 0.00 0.00 36.38 36.08 2d8i s VAL 51 CO 0.04 0.11 2.10 1.17 0.00 0.00 0.00 175.10 178.52 2d8i n LYS 52 N 3.54 2.32 -0.30 2.72 4.81 -1.17 -4.85 118.16 125.23 2d8i n LYS 52 Ca -0.20 0.76 0.01 0.00 -0.87 0.00 0.00 58.31 58.01 2d8i n LYS 52 Cb 0.55 -3.09 0.14 0.00 0.02 0.00 0.00 35.03 32.65 2d8i n LYS 52 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 2d8i h GLU 53 N 12.82 0.89 -2.35 1.64 9.09 -1.99 -3.10 114.58 131.59 2d8i h GLU 53 Ca -0.45 -0.05 -0.66 0.00 0.05 0.00 0.00 59.36 58.25 2d8i h GLU 53 Cb 1.25 -0.20 -0.38 0.00 -1.65 0.00 0.00 28.75 27.77 2d8i h GLU 53 CO 0.95 0.59 -0.15 0.25 0.05 0.00 0.00 179.01 180.70 2d8i n THR 54 N -4.65 3.63 -1.16 -1.06 -2.24 -1.26 -4.96 114.28 102.57 2d8i n THR 54 Ca 0.12 -5.57 0.00 0.00 -2.27 0.00 0.00 64.05 56.33 2d8i n THR 54 Cb 0.20 -1.78 0.00 0.00 -2.10 0.00 0.00 70.33 66.64 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 0.42 5.52 0.34 3.38 0.00 -1.17 -5.08 105.19 108.60 2d8i n GLY 55 Ca 0.32 -1.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.10 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 1.62 -0.27 0.99 4.77 -1.26 -4.41 117.00 118.44 2d8i n LEU 56 Ca 0.00 0.20 -0.07 0.00 -0.03 0.00 0.00 56.01 56.11 2d8i n LEU 56 Cb 0.00 -0.60 -0.06 0.00 -2.33 0.00 0.00 43.42 40.42 2d8i n LEU 56 CO 0.00 0.47 0.35 0.00 -1.33 0.00 0.00 177.39 176.88 2d8i n ALA 57 N -3.80 -0.40 0.11 -1.18 0.00 -1.26 -0.35 120.51 113.62 2d8i n ALA 57 Ca -0.39 0.54 -0.15 0.00 0.00 0.00 0.00 53.44 53.44 2d8i n ALA 57 Cb 0.79 -0.05 -0.08 0.00 0.00 0.00 0.00 19.45 20.12 2d8i n ALA 57 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2d8i h SER 58 N 0.00 -1.38 -0.93 0.00 0.87 -1.79 -2.53 113.55 107.79 2d8i h SER 58 Ca 0.10 0.15 0.11 0.00 -1.23 0.00 0.00 61.79 60.92 2d8i h SER 58 Cb 0.26 0.52 -0.13 0.00 -0.44 0.00 0.00 62.40 62.60 2d8i h SER 58 CO -0.59 -0.51 -0.47 0.29 -0.53 0.00 0.00 176.83 175.02 2d8i n LYS 59 N -5.47 -0.32 0.01 2.24 5.02 0.52 -0.98 118.16 119.16 2d8i n LYS 59 Ca -0.07 1.42 -0.12 0.00 -2.02 0.00 0.00 58.31 57.51 2d8i n LYS 59 Cb 0.39 -2.10 -0.08 0.00 -0.02 0.00 0.00 35.03 33.22 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 -0.47 0.00 1.97 1.79 -0.90 -3.45 116.57 115.51 2d8i h LYS 60 Ca 0.23 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 2d8i h LYS 60 Cb 0.46 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 2d8i h LYS 60 CO -0.90 -0.31 0.00 0.41 -1.08 0.00 0.00 179.45 177.57 2d8i n GLY 61 N -1.35 0.00 3.98 3.86 0.00 -0.16 -5.10 105.19 106.42 2d8i n GLY 61 Ca -0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 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 4.14 -0.25 0.99 1.43 -1.05 -5.01 118.68 118.93 2d8i s LEU 62 Ca 0.00 -0.06 -0.28 0.00 -1.03 0.00 0.00 54.13 52.76 2d8i s LEU 62 Cb 0.00 -2.80 0.17 0.00 0.03 0.00 0.00 46.19 43.59 2d8i s LEU 62 CO 0.00 -0.24 1.24 -0.75 0.23 0.00 0.00 176.35 176.83 2d8i s LYS 63 N -4.07 0.25 -0.79 1.70 2.20 -1.26 -4.49 119.74 113.28 2d8i s LYS 63 Ca 0.39 0.11 -0.23 0.00 -0.36 0.00 0.00 55.97 55.89 2d8i s LYS 63 Cb -0.09 0.12 -0.17 0.00 -1.51 0.00 0.00 37.83 36.18 2d8i s LYS 63 CO 0.30 -0.07 2.38 0.00 -0.36 0.00 0.00 175.35 177.61 2d8i n ALA 64 N 0.92 0.56 0.00 3.13 0.00 -1.26 -3.03 120.51 120.83 2d8i n ALA 64 Ca -0.06 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.23 2d8i n ALA 64 Cb 0.58 -3.05 0.00 0.00 0.00 0.00 0.00 19.45 16.98 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 6.41 0.00 2.98 0.00 0.00 -1.10 -5.03 105.19 108.46 2d8i n GLY 65 Ca 0.50 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.32 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 1.18 -0.04 1.61 1.11 -1.17 -4.99 116.67 114.37 2d8i s ASP 66 Ca 0.00 -0.18 -0.13 0.00 0.18 0.00 0.00 52.55 52.41 2d8i s ASP 66 Cb 0.00 -0.38 -0.05 0.00 1.07 0.00 0.00 42.92 43.56 2d8i s ASP 66 CO 0.00 0.04 0.35 -1.83 1.18 0.00 0.00 175.17 174.91 2d8i s GLU 67 N 0.35 3.89 0.18 8.23 1.03 -1.26 -0.69 118.70 130.43 2d8i s GLU 67 Ca -0.06 0.28 -0.15 0.00 0.03 0.00 0.00 54.97 55.08 2d8i s GLU 67 Cb -0.10 -3.25 -0.07 0.00 -0.80 0.00 0.00 34.13 29.91 2d8i s GLU 67 CO 0.01 0.63 0.60 0.42 -1.33 0.00 0.00 175.26 175.59 2d8i s ILE 68 N -0.82 4.80 -0.14 1.83 -1.09 0.07 -4.28 121.20 121.58 2d8i s ILE 68 Ca 0.21 0.88 0.01 0.00 -2.23 0.00 0.00 60.65 59.53 2d8i s ILE 68 Cb -0.15 -3.74 -0.09 0.00 -1.58 0.00 0.00 42.46 36.90 2d8i s ILE 68 CO 0.10 0.17 -0.12 0.18 -1.23 0.00 0.00 174.94 174.05 2d8i n LEU 69 N 0.60 2.99 -3.72 2.97 4.77 0.55 -4.28 117.00 120.88 2d8i n LEU 69 Ca -0.03 -0.07 -0.12 0.00 -0.03 0.00 0.00 56.01 55.76 2d8i n LEU 69 Cb 0.52 -0.48 -0.07 0.00 -2.33 0.00 0.00 43.42 41.07 2d8i n LEU 69 CO 0.43 0.73 0.08 -1.61 -1.33 0.00 0.00 177.39 175.69 2d8i s GLU 70 N -2.27 0.88 -0.26 3.23 2.02 -1.25 -3.86 118.70 117.18 2d8i s GLU 70 Ca -0.18 -0.50 -0.02 0.00 0.02 0.00 0.00 54.97 54.29 2d8i s GLU 70 Cb 0.05 0.38 0.08 0.00 0.10 0.00 0.00 34.13 34.74 2d8i s GLU 70 CO 0.31 -0.30 0.06 0.42 0.02 0.00 0.00 175.26 175.78 2d8i s ILE 71 N -2.74 0.76 -1.27 -1.63 1.01 0.33 -2.45 121.20 115.21 2d8i s ILE 71 Ca -0.04 -1.04 -0.06 0.00 0.00 0.00 0.00 60.65 59.51 2d8i s ILE 71 Cb -0.00 -1.41 0.01 0.00 0.01 0.00 0.00 42.46 41.06 2d8i s ILE 71 CO -0.04 -0.46 1.10 0.59 0.00 0.00 0.00 174.94 176.13 2d8i n ASN 72 N 4.93 -5.10 -1.59 3.58 3.02 -0.28 -2.23 115.26 117.58 2d8i n ASN 72 Ca -0.06 -0.54 -0.11 0.00 -0.03 0.00 0.00 54.58 53.84 2d8i n ASN 72 Cb 0.44 -4.90 0.02 0.00 -0.61 0.00 0.00 39.78 34.73 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 -2.91 -3.78 -4.04 6.41 4.13 -1.26 -5.03 115.26 108.77 2d8i n ASN 73 Ca -0.07 -0.14 -0.16 0.00 1.68 0.00 0.00 54.58 55.89 2d8i n ASN 73 Cb 0.59 -2.69 -0.13 0.00 -1.54 0.00 0.00 39.78 36.01 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 -5.09 0.60 -0.29 3.52 1.81 -0.95 -5.11 118.95 113.45 2d8i s ARG 74 Ca 0.15 -0.50 -0.29 0.00 -1.72 0.00 0.00 55.73 53.37 2d8i s ARG 74 Cb -0.06 -0.52 -0.00 0.00 -0.45 0.00 0.00 34.95 33.91 2d8i s ARG 74 CO 0.18 0.13 1.31 0.00 -0.68 0.00 0.00 175.30 176.24 2d8i s ALA 75 N -0.67 3.38 0.31 2.13 0.00 -1.26 -0.51 121.76 125.14 2d8i s ALA 75 Ca -0.02 0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.11 2d8i s ALA 75 Cb -0.06 -3.77 0.79 0.00 0.00 0.00 0.00 23.12 20.08 2d8i s ALA 75 CO 0.00 -1.74 1.58 0.00 0.00 0.00 0.00 175.76 175.60 2d8i h ALA 76 N 9.27 1.24 -0.37 0.00 0.00 -1.90 1.20 119.26 128.71 2d8i h ALA 76 Ca -0.26 0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2d8i h ALA 76 Cb 1.10 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 2d8i h ALA 76 CO 1.03 -0.59 -0.17 0.38 0.00 0.00 0.00 179.25 179.90 2d8i h ASP 77 N 0.03 0.67 0.67 0.00 2.03 -1.90 -2.28 116.42 115.64 2d8i h ASP 77 Ca 0.61 -0.21 0.00 0.00 -0.73 0.00 0.00 57.03 56.70 2d8i h ASP 77 Cb 1.29 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 39.60 2d8i h ASP 77 CO -0.88 0.85 0.00 0.00 -1.03 0.00 0.00 179.24 178.18 2d8i h ALA 78 N 1.21 1.00 -2.83 4.15 0.00 0.11 -3.43 119.26 119.46 2d8i h ALA 78 Ca 0.10 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.35 2d8i h ALA 78 Cb 0.63 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.34 2d8i h ALA 78 CO 0.04 0.00 -0.51 -0.51 0.00 0.00 0.00 179.25 178.27 2d8i s LEU 79 N -5.12 4.21 0.50 0.00 1.43 -0.41 -4.97 118.68 114.33 2d8i s LEU 79 Ca 0.02 0.35 0.04 0.00 -1.03 0.00 0.00 54.13 53.51 2d8i s LEU 79 Cb 0.09 -2.21 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 2d8i s LEU 79 CO 0.41 0.35 0.16 0.54 0.23 0.00 0.00 176.35 178.04 2d8i s ASN 80 N -1.36 4.32 0.08 2.29 6.03 -1.26 -4.91 114.94 120.13 2d8i s ASN 80 Ca 0.19 -1.40 -0.15 0.00 -1.03 0.00 0.00 52.86 50.47 2d8i s ASN 80 Cb -0.12 0.25 -0.03 0.00 -3.03 0.00 0.00 41.25 38.31 2d8i s ASN 80 CO 0.09 -0.85 0.93 -1.54 -2.03 0.00 0.00 177.10 173.71 2d8i n SER 81 N -1.40 -0.51 0.00 3.54 3.41 -1.26 -0.97 113.62 116.43 2d8i n SER 81 Ca -0.09 1.05 0.00 0.00 -0.26 0.00 0.00 58.87 59.56 2d8i n SER 81 Cb 0.66 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 2d8i n SER 81 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2d8i n SER 82 N -4.22 0.00 -0.34 4.04 7.64 -1.26 -0.22 113.62 119.26 2d8i n SER 82 Ca 0.01 0.98 0.08 0.00 1.01 0.00 0.00 58.87 60.95 2d8i n SER 82 Cb 0.13 -0.48 0.19 0.00 -1.01 0.00 0.00 64.21 63.03 2d8i n SER 82 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2d8i h MET 83 N 0.00 0.01 0.47 1.43 2.86 -1.54 -0.42 114.93 117.74 2d8i h MET 83 Ca 0.00 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2d8i h MET 83 Cb 0.00 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2d8i h MET 83 CO 0.00 0.01 -0.32 -0.07 1.06 0.00 0.00 176.91 177.59 2d8i h LEU 84 N 0.01 -0.83 -1.04 1.22 3.38 0.62 -1.08 115.31 117.59 2d8i h LEU 84 Ca 0.50 0.05 0.35 0.00 0.09 0.00 0.00 57.88 58.87 2d8i h LEU 84 Cb 0.88 0.25 -0.15 0.00 0.09 0.00 0.00 40.66 41.73 2d8i h LEU 84 CO -0.94 -0.47 0.59 0.11 0.09 0.00 0.00 178.44 177.81 2d8i h LYS 85 N -0.75 0.24 0.13 1.13 1.57 0.75 0.23 116.57 119.88 2d8i h LYS 85 Ca -0.06 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2d8i h LYS 85 Cb 0.61 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2d8i h LYS 85 CO 0.04 0.16 -0.06 0.22 -0.57 0.00 0.00 179.45 179.24 2d8i h ASP 86 N 0.25 -0.14 -0.90 0.86 3.58 -0.70 -2.17 116.42 117.20 2d8i h ASP 86 Ca 0.76 -0.18 0.12 0.00 0.42 0.00 0.00 57.03 58.15 2d8i h ASP 86 Cb 1.84 0.04 -0.08 0.00 1.72 0.00 0.00 39.33 42.85 2d8i h ASP 86 CO -0.62 0.10 0.52 -0.26 -2.88 0.00 0.00 179.24 176.11 2d8i h PHE 87 N -0.39 0.93 0.00 0.28 0.04 0.71 0.13 116.94 118.64 2d8i h PHE 87 Ca -0.02 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.73 2d8i h PHE 87 Cb 0.32 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 2d8i h PHE 87 CO 0.00 0.33 -0.25 -0.07 -0.60 0.00 0.00 178.31 177.73 2d8i h LEU 88 N 0.81 0.00 -2.80 1.54 3.38 -1.10 -2.58 115.31 114.56 2d8i h LEU 88 Ca 0.46 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.23 2d8i h LEU 88 Cb 0.51 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.14 2d8i h LEU 88 CO -0.29 0.25 0.25 -0.24 0.09 0.00 0.00 178.44 178.50 2d8i n SER 89 N -3.83 3.51 -4.34 -0.43 2.88 0.43 -4.85 113.62 107.00 2d8i n SER 89 Ca -0.02 -2.63 -0.28 0.00 -1.33 0.00 0.00 58.87 54.61 2d8i n SER 89 Cb 0.34 -0.66 -0.14 0.00 -0.75 0.00 0.00 64.21 63.00 2d8i n SER 89 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2d8i s GLN 90 N -1.25 1.53 0.00 -1.46 -1.52 -0.97 -5.01 119.66 110.98 2d8i s GLN 90 Ca 0.21 -1.17 0.15 0.00 -1.95 0.00 0.00 55.36 52.60 2d8i s GLN 90 Cb 0.18 -1.81 0.70 0.00 -0.22 0.00 0.00 33.01 31.86 2d8i s GLN 90 CO 0.04 0.45 1.42 -0.35 -0.25 0.00 0.00 175.29 176.60 2d8i n PRO 91 N 1.42 0.14 -3.74 2.91 -0.04 -1.26 -4.70 135.00 129.74 2d8i n PRO 91 Ca -0.18 0.18 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 2d8i n PRO 91 Cb 0.53 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 2d8i n PRO 91 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2d8i s SER 92 N -2.70 -0.34 0.04 3.54 1.04 -1.26 -0.88 113.70 113.12 2d8i s SER 92 Ca 0.12 0.58 -0.03 0.00 0.48 0.00 0.00 55.95 57.10 2d8i s SER 92 Cb 0.10 0.64 -0.02 0.00 0.10 0.00 0.00 66.02 66.84 2d8i s SER 92 CO 0.24 -0.22 0.04 -0.76 0.98 0.00 0.00 173.24 173.52 2d8i s LEU 93 N -0.22 2.04 -0.36 2.42 1.02 -0.32 -4.99 118.68 118.26 2d8i s LEU 93 Ca -0.04 -0.62 0.01 0.00 0.02 0.00 0.00 54.13 53.50 2d8i s LEU 93 Cb -0.03 0.41 0.11 0.00 0.02 0.00 0.00 46.19 46.70 2d8i s LEU 93 CO 0.02 -0.48 0.14 -0.83 0.02 0.00 0.00 176.35 175.22 2d8i s GLY 94 N -2.14 1.42 0.21 -3.19 0.00 -1.26 -0.95 107.32 101.40 2d8i s GLY 94 Ca -0.05 -2.13 -0.04 0.00 0.00 0.00 0.00 44.72 42.50 2d8i s GLY 94 CO -0.05 1.49 0.44 1.08 0.00 0.00 0.00 173.10 176.07 2d8i s LEU 95 N 1.05 4.18 -0.27 0.66 1.43 -0.17 -1.13 118.68 124.44 2d8i s LEU 95 Ca 0.13 0.58 -0.00 0.00 -1.03 0.00 0.00 54.13 53.80 2d8i s LEU 95 Cb -0.20 -3.35 0.08 0.00 0.03 0.00 0.00 46.19 42.75 2d8i s LEU 95 CO -0.13 -0.06 0.04 -0.22 0.23 0.00 0.00 176.35 176.21 2d8i s LEU 96 N -3.18 2.30 0.25 1.79 2.96 -1.02 0.23 118.68 122.00 2d8i s LEU 96 Ca 0.41 -1.39 0.11 0.00 -0.22 0.00 0.00 54.13 53.04 2d8i s LEU 96 Cb -0.11 -0.94 -0.05 0.00 0.50 0.00 0.00 46.19 45.59 2d8i s LEU 96 CO 0.28 -0.34 -0.14 0.68 -1.32 0.00 0.00 176.35 175.50 2d8i s VAL 97 N 1.56 2.83 0.03 1.68 -7.23 -0.98 -0.33 120.40 117.95 2d8i s VAL 97 Ca 0.04 -2.11 -0.11 0.00 -1.81 0.00 0.00 61.98 57.99 2d8i s VAL 97 Cb -0.18 -2.46 -0.05 0.00 0.56 0.00 0.00 36.38 34.25 2d8i s VAL 97 CO -0.15 -0.31 0.37 -0.60 -0.31 0.00 0.00 175.10 174.09 2d8i s ARG 98 N -3.33 3.76 0.03 4.82 6.06 -1.26 -0.45 118.95 128.58 2d8i s ARG 98 Ca 0.28 0.19 -0.07 0.00 -2.50 0.00 0.00 55.73 53.64 2d8i s ARG 98 Cb -0.06 -3.09 -0.01 0.00 0.06 0.00 0.00 34.95 31.86 2d8i s ARG 98 CO 0.16 0.63 0.12 -0.08 -2.50 0.00 0.00 175.30 173.62 2d8i s THR 99 N -1.27 0.12 0.22 4.11 -1.32 0.50 -4.90 115.64 113.10 2d8i s THR 99 Ca 0.28 -0.96 -0.30 0.00 -1.21 0.00 0.00 61.69 59.51 2d8i s THR 99 Cb -0.14 -0.77 -0.09 0.00 -1.51 0.00 0.00 72.50 69.99 2d8i s THR 99 CO 0.15 -0.53 0.93 -0.31 -2.21 0.00 0.00 174.62 172.65 2d8i s TYR 100 N -2.28 3.97 0.24 9.09 1.51 -1.26 -0.24 117.35 128.38 2d8i s TYR 100 Ca -0.08 1.88 -0.30 0.00 -1.01 0.00 0.00 57.07 57.57 2d8i s TYR 100 Cb -0.03 -2.97 -0.09 0.00 -0.11 0.00 0.00 41.96 38.76 2d8i s TYR 100 CO -0.03 0.44 1.27 -1.25 -1.11 0.00 0.00 175.55 174.88 2d8i s PRO 101 N -1.06 4.42 0.04 -1.71 0.04 -1.26 -4.92 135.00 130.54 2d8i s PRO 101 Ca 0.41 2.05 0.07 0.00 0.04 0.00 0.00 61.00 63.57 2d8i s PRO 101 Cb -0.25 -3.17 -0.02 0.00 0.04 0.00 0.00 34.50 31.09 2d8i s PRO 101 CO 0.31 -0.17 -0.22 -1.21 0.04 0.00 0.00 177.00 175.76 2d8i s GLU 102 N -0.68 1.49 -0.02 4.56 2.02 -1.26 -5.02 118.70 119.78 2d8i s GLU 102 Ca 0.53 -0.94 -0.03 0.00 0.02 0.00 0.00 54.97 54.55 2d8i s GLU 102 Cb -0.36 -1.59 -0.11 0.00 0.10 0.00 0.00 34.13 32.17 2d8i s GLU 102 CO 0.42 0.41 2.74 -0.11 0.02 0.00 0.00 175.26 178.74 2d8i n LEU 103 N 1.94 5.37 -3.15 1.80 7.94 -1.26 -4.58 117.00 125.06 2d8i n LEU 103 Ca -0.17 -2.83 0.05 0.00 -1.11 0.00 0.00 56.01 51.96 2d8i n LEU 103 Cb 0.53 -1.26 -0.02 0.00 0.53 0.00 0.00 43.42 43.21 2d8i n LEU 103 CO 0.23 1.34 0.50 -0.70 -1.11 0.00 0.00 177.39 177.66 2d8i s GLU 104 N 0.32 0.26 0.17 1.96 2.12 -1.26 -5.17 118.70 117.11 2d8i s GLU 104 Ca 0.32 0.47 0.09 0.00 0.36 0.00 0.00 54.97 56.21 2d8i s GLU 104 Cb 0.16 0.26 -0.04 0.00 0.26 0.00 0.00 34.13 34.77 2d8i s GLU 104 CO -0.01 -0.29 -0.19 -1.21 -0.54 0.00 0.00 175.26 173.02 2d8i s GLU 105 N 2.93 1.32 0.00 4.30 2.02 -1.26 -5.04 118.70 122.97 2d8i s GLU 105 Ca 0.03 -1.43 0.00 0.00 0.02 0.00 0.00 54.97 53.59 2d8i s GLU 105 Cb -0.11 -1.44 0.00 0.00 0.10 0.00 0.00 34.13 32.68 2d8i s GLU 105 CO -0.13 0.30 0.00 0.41 0.02 0.00 0.00 175.26 175.86 2d8i n GLY 106 N 0.29 0.20 3.21 -1.39 0.00 -1.26 -5.06 105.19 101.19 2d8i n GLY 106 Ca -0.13 -1.53 -0.29 0.00 0.00 0.00 0.00 46.02 44.07 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 0.00 0.12 1.61 0.24 -1.26 -4.89 118.33 114.15 2d8i n VAL 107 Ca 0.00 -0.23 -0.14 0.00 -2.04 0.00 0.00 64.34 61.94 2d8i n VAL 107 Cb 0.00 -0.59 -0.08 0.00 -1.47 0.00 0.00 33.84 31.70 2d8i n VAL 107 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2d8i h GLU 108 N -2.29 -0.64 -2.74 7.34 4.39 -2.01 -3.46 114.58 115.18 2d8i h GLU 108 Ca -0.47 0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.29 2d8i h GLU 108 Cb 1.23 0.15 -0.13 0.00 -0.10 0.00 0.00 28.75 29.89 2d8i h GLU 108 CO 0.33 -0.43 0.28 -1.54 -1.16 0.00 0.00 179.01 176.49 2d8i s SER 109 N -4.19 -0.52 -0.60 1.42 1.04 -1.26 -5.08 113.70 104.50 2d8i s SER 109 Ca -0.14 0.06 0.04 0.00 0.48 0.00 0.00 55.95 56.39 2d8i s SER 109 Cb 0.05 0.54 0.16 0.00 0.10 0.00 0.00 66.02 66.87 2d8i s SER 109 CO 0.50 -0.85 0.41 -0.83 0.98 0.00 0.00 173.24 173.44 2d8i s GLY 110 N -2.55 2.45 0.06 7.32 0.00 -1.26 -4.94 107.32 108.40 2d8i s GLY 110 Ca 0.01 -3.40 -0.18 0.00 0.00 0.00 0.00 44.72 41.15 2d8i s GLY 110 CO -0.10 1.30 1.38 -0.56 0.00 0.00 0.00 173.10 175.11 2d8i h PRO 111 N 5.72 0.49 -6.46 2.90 0.13 -2.04 -3.43 132.00 129.31 2d8i h PRO 111 Ca 0.12 -0.26 -0.54 0.00 -0.87 0.00 0.00 66.00 64.46 2d8i h PRO 111 Cb 0.82 0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.97 2d8i h PRO 111 CO 0.63 0.83 0.80 -1.12 -0.23 0.00 0.00 178.00 178.91 2d8i s SER 112 N -6.28 6.82 -0.03 1.44 0.01 -1.26 -4.90 113.70 109.50 2d8i s SER 112 Ca -0.13 2.25 0.09 0.00 1.31 0.00 0.00 55.95 59.46 2d8i s SER 112 Cb 0.07 -2.57 0.25 0.00 0.21 0.00 0.00 66.02 63.97 2d8i s SER 112 CO 0.78 -0.70 1.20 -1.54 0.41 0.00 0.00 173.24 173.39 2d8i n SER 113 N 4.72 2.75 0.00 2.44 3.41 -1.26 -5.25 113.62 120.43 2d8i n SER 113 Ca 0.13 -2.22 0.00 0.00 -0.26 0.00 0.00 58.87 56.51 2d8i n SER 113 Cb 0.43 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 2d8i n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49