#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8m s GLU 9 N 0.00 4.02 -0.26 1.61 2.02 -1.26 -5.06 118.70 119.77 1b8m s GLU 9 Ca 0.00 1.06 -0.03 0.00 0.02 0.00 0.00 54.97 56.01 1b8m s GLU 9 Cb 0.00 -2.15 0.02 0.00 0.10 0.00 0.00 34.13 32.10 1b8m s GLU 9 CO 0.00 -0.21 -0.01 -1.17 0.02 0.00 0.00 175.26 173.88 1b8m s LEU 10 N -3.71 3.39 0.27 1.80 2.96 -1.26 -5.10 118.68 117.04 1b8m s LEU 10 Ca 0.61 -0.80 -0.00 0.00 -0.22 0.00 0.00 54.13 53.72 1b8m s LEU 10 Cb -0.10 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 1b8m s LEU 10 CO 0.24 -0.14 0.47 -0.44 -1.32 0.00 0.00 176.35 175.15 1b8m s SER 11 N 1.39 6.35 0.45 3.68 0.01 -1.26 -5.00 113.70 119.33 1b8m s SER 11 Ca 0.01 0.42 0.21 0.00 1.31 0.00 0.00 55.95 57.90 1b8m s SER 11 Cb -0.17 -2.02 1.10 0.00 0.21 0.00 0.00 66.02 65.14 1b8m s SER 11 CO -0.02 -0.16 1.95 1.62 0.41 0.00 0.00 173.24 177.04 1b8m h VAL 12 N 1.17 0.85 -4.40 3.43 3.04 -1.97 -3.43 116.25 114.94 1b8m h VAL 12 Ca -0.49 -0.86 -0.59 0.00 -1.01 0.00 0.00 66.70 63.75 1b8m h VAL 12 Cb 1.21 1.51 -0.30 0.00 -2.01 0.00 0.00 31.29 31.70 1b8m h VAL 12 CO 0.64 0.22 -0.85 0.00 -1.01 0.00 0.00 177.57 176.57 1b8m s ASP 14 N -0.46 7.38 0.05 0.00 1.01 -1.26 -5.02 116.67 118.37 1b8m s ASP 14 Ca 0.08 1.65 -0.00 0.00 0.71 0.00 0.00 52.55 54.98 1b8m s ASP 14 Cb -0.08 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1b8m s ASP 14 CO -0.01 0.06 -0.04 -0.94 0.21 0.00 0.00 175.17 174.45 1b8m s SER 15 N -0.44 0.60 0.08 0.27 1.04 -1.26 -1.54 113.70 112.45 1b8m s SER 15 Ca 0.40 -0.90 0.07 0.00 0.48 0.00 0.00 55.95 56.00 1b8m s SER 15 Cb -0.23 0.15 -0.03 0.00 0.10 0.00 0.00 66.02 66.02 1b8m s SER 15 CO 0.27 -0.50 -0.18 -0.51 0.98 0.00 0.00 173.24 173.30 1b8m s ILE 16 N -3.33 1.42 0.09 -1.02 2.07 -0.59 -4.71 121.20 115.13 1b8m s ILE 16 Ca 0.03 -1.38 0.05 0.00 -1.41 0.00 0.00 60.65 57.94 1b8m s ILE 16 Cb 0.04 -1.31 -0.03 0.00 0.13 0.00 0.00 42.46 41.28 1b8m s ILE 16 CO -0.07 -0.10 -0.13 -0.44 -1.91 0.00 0.00 174.94 172.29 1b8m s SER 17 N -1.73 1.67 -0.02 4.50 0.01 -1.26 -1.06 113.70 115.82 1b8m s SER 17 Ca 0.03 -0.70 -0.28 0.00 1.31 0.00 0.00 55.95 56.30 1b8m s SER 17 Cb -0.10 -0.04 0.07 0.00 0.21 0.00 0.00 66.02 66.16 1b8m s SER 17 CO 0.03 -0.14 0.64 -1.83 0.41 0.00 0.00 173.24 172.35 1b8m s GLU 18 N -2.17 1.06 -0.43 12.44 -1.05 0.64 -4.98 118.70 124.21 1b8m s GLU 18 Ca 0.02 0.11 -0.28 0.00 -0.15 0.00 0.00 54.97 54.66 1b8m s GLU 18 Cb -0.07 0.50 0.03 0.00 -0.44 0.00 0.00 34.13 34.14 1b8m s GLU 18 CO 0.02 -0.35 1.09 -1.58 0.95 0.00 0.00 175.26 175.38 1b8m s TRP 19 N -1.60 2.92 -0.10 4.83 0.52 -1.26 -1.45 118.94 122.80 1b8m s TRP 19 Ca -0.09 0.80 -0.13 0.00 0.02 0.00 0.00 56.10 56.69 1b8m s TRP 19 Cb -0.00 -4.16 -0.05 0.00 -1.15 0.00 0.00 33.47 28.10 1b8m s TRP 19 CO 0.06 -1.11 0.31 0.08 0.02 0.00 0.00 176.95 176.31 1b8m s VAL 20 N 4.13 5.25 0.46 4.03 1.01 0.12 -4.90 120.40 130.50 1b8m s VAL 20 Ca 0.46 0.60 -0.13 0.00 0.00 0.00 0.00 61.98 62.91 1b8m s VAL 20 Cb -0.09 -3.63 -0.07 0.00 0.00 0.00 0.00 36.38 32.60 1b8m s VAL 20 CO 0.27 0.48 0.86 0.28 0.00 0.00 0.00 175.10 176.99 1b8m s THR 21 N -0.24 4.69 0.26 3.92 -1.32 -1.26 -0.62 115.64 121.07 1b8m s THR 21 Ca 0.19 0.84 -0.04 0.00 -1.21 0.00 0.00 61.69 61.47 1b8m s THR 21 Cb -0.14 -3.74 0.27 0.00 -1.51 0.00 0.00 72.50 67.38 1b8m s THR 21 CO 0.07 -0.62 1.92 0.00 -2.21 0.00 0.00 174.62 173.78 1b8m h ALA 22 N 1.04 1.34 -0.80 11.08 0.00 -1.79 -1.12 119.26 129.01 1b8m h ALA 22 Ca -0.47 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 54.53 1b8m h ALA 22 Cb 1.19 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 1b8m h ALA 22 CO 0.63 0.57 0.52 0.00 0.00 0.00 0.00 179.25 180.97 1b8m h ALA 23 N 1.41 1.98 -0.03 0.00 0.00 -1.91 0.23 119.26 120.94 1b8m h ALA 23 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1b8m h ALA 23 Cb -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1b8m h ALA 23 CO -0.11 -0.19 0.00 -0.25 0.00 0.00 0.00 179.25 178.70 1b8m n ASP 24 N -4.51 1.14 -3.05 0.00 8.00 -0.46 -3.94 116.55 113.73 1b8m n ASP 24 Ca 0.15 -1.42 -0.17 0.00 0.71 0.00 0.00 54.79 54.06 1b8m n ASP 24 Cb 0.48 -0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.56 1b8m n ASP 24 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1b8m n LYS 25 N -0.10 0.89 0.18 -1.24 4.81 0.70 -4.94 118.16 118.47 1b8m n LYS 25 Ca 0.19 -2.88 0.04 0.00 -0.87 0.00 0.00 58.31 54.80 1b8m n LYS 25 Cb 0.29 -1.43 0.34 0.00 0.02 0.00 0.00 35.03 34.25 1b8m n LYS 25 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1b8m h LYS 26 N 3.37 0.00 -5.18 1.64 1.63 -1.37 -3.41 116.57 113.24 1b8m h LYS 26 Ca 0.03 0.00 -0.38 0.00 -0.85 0.00 0.00 60.65 59.44 1b8m h LYS 26 Cb 0.98 0.00 -0.21 0.00 -0.60 0.00 0.00 32.23 32.40 1b8m h LYS 26 CO 0.40 0.40 -0.77 0.95 -3.45 0.00 0.00 179.45 176.98 1b8m s THR 27 N -3.77 0.99 0.13 1.00 -4.23 -1.26 -0.16 115.64 108.35 1b8m s THR 27 Ca -0.01 -1.27 -0.19 0.00 -1.18 0.00 0.00 61.69 59.03 1b8m s THR 27 Cb 0.12 -0.99 0.05 0.00 1.34 0.00 0.00 72.50 73.02 1b8m s THR 27 CO 0.70 -0.27 0.49 0.00 -0.54 0.00 0.00 174.62 175.00 1b8m s ALA 28 N -1.34 -1.22 -0.03 3.99 0.00 -0.37 -4.90 121.76 117.89 1b8m s ALA 28 Ca -0.03 0.20 -0.17 0.00 0.00 0.00 0.00 51.96 51.96 1b8m s ALA 28 Cb -0.10 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 23.72 1b8m s ALA 28 CO 0.02 -0.68 0.46 0.08 0.00 0.00 0.00 175.76 175.63 1b8m s VAL 29 N -3.70 5.04 0.56 0.00 1.01 -1.26 -0.49 120.40 121.57 1b8m s VAL 29 Ca 0.02 0.94 0.06 0.00 0.00 0.00 0.00 61.98 62.99 1b8m s VAL 29 Cb 0.01 -3.78 0.07 0.00 0.00 0.00 0.00 36.38 32.67 1b8m s VAL 29 CO -0.12 0.48 0.77 1.51 0.00 0.00 0.00 175.10 177.74 1b8m s ASP 30 N -0.43 5.12 0.24 3.32 1.47 0.68 -1.32 116.67 125.74 1b8m s ASP 30 Ca 0.25 -0.50 -0.10 0.00 1.18 0.00 0.00 52.55 53.39 1b8m s ASP 30 Cb -0.17 -0.21 0.36 0.00 -0.34 0.00 0.00 42.92 42.57 1b8m s ASP 30 CO 0.13 -1.27 1.62 -0.03 0.68 0.00 0.00 175.17 176.31 1b8m h MET 31 N 0.13 0.05 0.00 2.11 1.85 -1.41 -0.72 114.93 116.94 1b8m h MET 31 Ca -0.36 -0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.73 1b8m h MET 31 Cb 1.28 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 33.30 1b8m h MET 31 CO 0.44 0.03 0.00 -1.13 -0.40 0.00 0.00 176.91 175.85 1b8m n SER 32 N -5.41 0.00 0.00 1.39 3.41 -1.26 -4.82 113.62 106.93 1b8m n SER 32 Ca 0.11 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1b8m n SER 32 Cb 0.42 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1b8m n SER 32 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b8m n GLY 33 N 0.02 0.87 3.97 5.00 0.00 -0.28 -5.08 105.19 109.69 1b8m n GLY 33 Ca 0.09 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 1b8m n GLY 33 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1b8m s GLY 34 N -2.02 1.51 -0.12 -0.02 0.00 -1.25 -4.81 107.32 100.60 1b8m s GLY 34 Ca 0.00 -1.20 -0.11 0.00 0.00 0.00 0.00 44.72 43.41 1b8m s GLY 34 CO 0.00 -1.10 0.24 -1.59 0.00 0.00 0.00 173.10 170.65 1b8m s THR 35 N -2.33 5.34 0.16 0.90 2.01 -1.26 -0.23 115.64 120.23 1b8m s THR 35 Ca 0.44 0.43 0.03 0.00 0.31 0.00 0.00 61.69 62.91 1b8m s THR 35 Cb -0.10 -3.54 -0.05 0.00 0.01 0.00 0.00 72.50 68.82 1b8m s THR 35 CO 0.34 0.51 -0.06 0.68 -0.69 0.00 0.00 174.62 175.40 1b8m s VAL 36 N -0.32 0.98 -0.20 3.82 -7.23 0.36 -4.30 120.40 113.50 1b8m s VAL 36 Ca 0.16 -2.02 -0.08 0.00 -1.81 0.00 0.00 61.98 58.23 1b8m s VAL 36 Cb -0.13 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.82 1b8m s VAL 36 CO 0.05 -0.65 0.08 -0.89 -0.31 0.00 0.00 175.10 173.37 1b8m s THR 37 N -3.45 4.82 -0.19 5.32 2.01 -0.14 -1.24 115.64 122.76 1b8m s THR 37 Ca 0.19 -0.02 -0.21 0.00 0.31 0.00 0.00 61.69 61.96 1b8m s THR 37 Cb 0.04 -3.20 -0.02 0.00 0.01 0.00 0.00 72.50 69.33 1b8m s THR 37 CO 0.02 0.42 0.65 -0.69 -0.69 0.00 0.00 174.62 174.32 1b8m s VAL 38 N 0.69 5.01 0.75 3.82 1.01 0.78 -0.28 120.40 132.18 1b8m s VAL 38 Ca 0.04 1.23 -0.11 0.00 0.00 0.00 0.00 61.98 63.14 1b8m s VAL 38 Cb -0.13 -3.96 0.04 0.00 0.00 0.00 0.00 36.38 32.33 1b8m s VAL 38 CO 0.02 0.11 1.09 -0.76 0.00 0.00 0.00 175.10 175.56 1b8m s LEU 39 N 1.86 3.08 0.09 3.92 1.43 -0.90 -4.79 118.68 123.38 1b8m s LEU 39 Ca 0.30 1.81 -0.09 0.00 -1.03 0.00 0.00 54.13 55.12 1b8m s LEU 39 Cb -0.16 -4.52 -0.22 0.00 0.03 0.00 0.00 46.19 41.32 1b8m s LEU 39 CO 0.11 -1.91 1.18 -0.33 0.23 0.00 0.00 176.35 175.63 1b8m h GLU 40 N -0.95 0.48 -4.69 1.70 4.39 -1.94 -3.43 114.58 110.13 1b8m h GLU 40 Ca -0.44 -0.62 -0.33 0.00 0.34 0.00 0.00 59.36 58.32 1b8m h GLU 40 Cb 1.23 0.20 -0.24 0.00 -0.10 0.00 0.00 28.75 29.84 1b8m h GLU 40 CO 0.52 1.25 -0.75 0.15 -1.16 0.00 0.00 179.01 179.02 1b8m s LYS 41 N -3.02 0.60 -0.19 2.33 1.02 -1.26 -2.32 119.74 116.89 1b8m s LYS 41 Ca -0.07 -0.63 -0.03 0.00 0.02 0.00 0.00 55.97 55.26 1b8m s LYS 41 Cb 0.07 -0.48 -0.01 0.00 -0.52 0.00 0.00 37.83 36.89 1b8m s LYS 41 CO 0.90 0.11 -0.06 0.14 -0.92 0.00 0.00 175.35 175.52 1b8m s VAL 42 N -0.96 3.43 0.14 3.17 -7.23 0.35 -4.92 120.40 114.38 1b8m s VAL 42 Ca -0.04 -0.49 -0.30 0.00 -1.81 0.00 0.00 61.98 59.33 1b8m s VAL 42 Cb -0.08 -2.53 -0.07 0.00 0.56 0.00 0.00 36.38 34.26 1b8m s VAL 42 CO 0.01 0.45 1.15 -2.84 -0.31 0.00 0.00 175.10 173.56 1b8m s PRO 43 N 1.07 4.52 0.06 4.82 0.02 -1.26 -1.11 135.00 143.12 1b8m s PRO 43 Ca 0.01 1.77 0.02 0.00 0.02 0.00 0.00 61.00 62.82 1b8m s PRO 43 Cb -0.15 -3.29 -0.03 0.00 0.02 0.00 0.00 34.50 31.05 1b8m s PRO 43 CO -0.00 -0.07 -0.07 0.14 -0.33 0.00 0.00 177.00 176.67 1b8m s VAL 44 N 0.22 0.57 0.39 3.83 -7.23 -0.69 -4.96 120.40 112.54 1b8m s VAL 44 Ca 0.53 -1.39 -0.27 0.00 -1.81 0.00 0.00 61.98 59.05 1b8m s VAL 44 Cb -0.30 -0.99 -0.09 0.00 0.56 0.00 0.00 36.38 35.56 1b8m s VAL 44 CO 0.34 -0.57 1.37 -0.55 -0.31 0.00 0.00 175.10 175.37 1b8m s SER 45 N -2.11 6.34 0.00 4.85 0.15 -1.26 -1.78 113.70 119.89 1b8m s SER 45 Ca -0.02 2.80 0.00 0.00 0.70 0.00 0.00 55.95 59.43 1b8m s SER 45 Cb -0.04 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1b8m s SER 45 CO -0.02 -0.85 0.00 0.29 1.20 0.00 0.00 173.24 173.87 1b8m n LYS 46 N 0.29 0.00 0.00 5.44 5.02 -1.26 -4.91 118.16 122.74 1b8m n LYS 46 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1b8m n LYS 46 Cb 0.42 -0.90 0.00 0.00 -0.02 0.00 0.00 35.03 34.53 1b8m n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1b8m n GLY 47 N -2.00 -0.32 3.00 0.72 0.00 -0.73 -5.13 105.19 100.73 1b8m n GLY 47 Ca 0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 1b8m n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b8m s GLN 48 N -2.00 0.28 0.11 1.61 -0.21 -1.26 -1.70 119.66 116.49 1b8m s GLN 48 Ca 0.00 -0.31 0.08 0.00 0.02 0.00 0.00 55.36 55.15 1b8m s GLN 48 Cb 0.00 0.11 -0.04 0.00 1.00 0.00 0.00 33.01 34.08 1b8m s GLN 48 CO 0.00 -0.05 -0.13 -0.51 -2.12 0.00 0.00 175.29 172.48 1b8m s LEU 49 N -0.92 2.92 0.08 2.90 1.43 -0.27 -4.93 118.68 119.89 1b8m s LEU 49 Ca -0.10 -0.45 -0.22 0.00 -1.03 0.00 0.00 54.13 52.33 1b8m s LEU 49 Cb -0.06 -1.73 -0.07 0.00 0.03 0.00 0.00 46.19 44.36 1b8m s LEU 49 CO 0.00 0.18 0.66 -0.75 0.23 0.00 0.00 176.35 176.67 1b8m s LYS 50 N -2.17 4.37 -0.19 1.70 2.20 -1.26 -0.50 119.74 123.89 1b8m s LYS 50 Ca 0.20 0.90 -0.27 0.00 -0.36 0.00 0.00 55.97 56.44 1b8m s LYS 50 Cb -0.11 -3.28 -0.01 0.00 -1.51 0.00 0.00 37.83 32.92 1b8m s LYS 50 CO 0.12 0.52 0.92 -0.65 -0.36 0.00 0.00 175.35 175.90 1b8m s GLN 51 N -0.80 4.28 0.12 4.03 -0.21 -0.98 -4.88 119.66 121.23 1b8m s GLN 51 Ca 0.33 1.15 0.05 0.00 0.02 0.00 0.00 55.36 56.91 1b8m s GLN 51 Cb -0.20 -3.60 -0.04 0.00 1.00 0.00 0.00 33.01 30.16 1b8m s GLN 51 CO 0.21 -0.45 -0.12 0.71 -2.12 0.00 0.00 175.29 173.52 1b8m s TYR 52 N 2.57 1.27 0.06 0.91 2.02 -1.26 -2.51 117.35 120.41 1b8m s TYR 52 Ca 0.41 -0.64 0.06 0.00 -0.37 0.00 0.00 57.07 56.52 1b8m s TYR 52 Cb -0.16 -0.66 -0.03 0.00 -0.40 0.00 0.00 41.96 40.71 1b8m s TYR 52 CO 0.10 0.09 -0.15 -0.06 -1.57 0.00 0.00 175.55 173.96 1b8m s PHE 53 N -2.57 1.33 -0.57 2.71 0.08 0.21 -4.95 117.98 114.21 1b8m s PHE 53 Ca 0.10 -0.42 -0.09 0.00 0.12 0.00 0.00 56.93 56.65 1b8m s PHE 53 Cb -0.02 -0.76 0.15 0.00 -0.57 0.00 0.00 43.02 41.82 1b8m s PHE 53 CO 0.02 0.07 0.45 -0.47 -0.10 0.00 0.00 175.22 175.19 1b8m s TYR 54 N -1.10 3.48 0.03 0.36 5.04 -1.26 0.13 117.35 124.04 1b8m s TYR 54 Ca 0.01 -2.09 0.00 0.00 -2.44 0.00 0.00 57.07 52.55 1b8m s TYR 54 Cb -0.09 -3.49 -0.04 0.00 0.35 0.00 0.00 41.96 38.69 1b8m s TYR 54 CO 0.02 -0.96 0.11 -1.83 -1.34 0.00 0.00 175.55 171.55 1b8m s GLU 55 N 0.81 3.09 -0.09 4.97 -1.05 -0.53 -4.88 118.70 121.03 1b8m s GLU 55 Ca 0.11 -0.52 0.02 0.00 -0.15 0.00 0.00 54.97 54.42 1b8m s GLU 55 Cb -0.22 -2.87 0.01 0.00 -0.44 0.00 0.00 34.13 30.62 1b8m s GLU 55 CO -0.03 0.62 -0.13 0.99 0.95 0.00 0.00 175.26 177.66 1b8m s THR 56 N -1.30 1.26 0.21 1.83 2.01 -0.61 -0.26 115.64 118.78 1b8m s THR 56 Ca 0.27 -0.52 -0.00 0.00 0.31 0.00 0.00 61.69 61.74 1b8m s THR 56 Cb -0.12 -1.16 -0.04 0.00 0.01 0.00 0.00 72.50 71.18 1b8m s THR 56 CO 0.19 0.39 0.11 -1.59 -0.69 0.00 0.00 174.62 173.02 1b8m s LYS 57 N 0.88 1.24 0.34 4.92 -2.85 -0.22 -2.85 119.74 121.20 1b8m s LYS 57 Ca -0.10 -1.65 -0.29 0.00 -1.00 0.00 0.00 55.97 52.94 1b8m s LYS 57 Cb -0.15 0.08 -0.11 0.00 -2.06 0.00 0.00 37.83 35.60 1b8m s LYS 57 CO 0.01 -0.34 1.40 0.00 0.10 0.00 0.00 175.35 176.52 1b8m s ASN 59 N -0.25 6.84 0.30 0.00 3.84 -0.59 -4.70 114.94 120.39 1b8m s ASN 59 Ca 0.52 1.38 0.26 0.00 0.21 0.00 0.00 52.86 55.22 1b8m s ASN 59 Cb -0.43 -2.54 0.79 0.00 -0.55 0.00 0.00 41.25 38.52 1b8m s ASN 59 CO 0.57 -0.90 1.75 1.55 -2.79 0.00 0.00 177.10 177.27 1b8m h PRO 60 N 8.57 0.00 -0.96 0.43 0.13 -1.92 -3.12 132.00 135.14 1b8m h PRO 60 Ca -0.25 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.26 1b8m h PRO 60 Cb 1.09 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.87 1b8m h PRO 60 CO 1.01 0.00 0.11 -1.33 -0.23 0.00 0.00 178.00 177.56 1b8m n MET 61 N -2.53 3.11 -2.12 0.86 2.81 -1.26 -5.03 117.12 112.96 1b8m n MET 61 Ca 0.04 -3.72 -0.01 0.00 -1.81 0.00 0.00 57.70 52.20 1b8m n MET 61 Cb 0.40 -2.28 -0.00 0.00 -0.71 0.00 0.00 33.22 30.63 1b8m n MET 61 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1b8m n GLY 62 N -0.80 4.17 0.93 3.03 0.00 -1.18 -5.07 105.19 106.27 1b8m n GLY 62 Ca 0.54 -2.21 0.12 0.00 0.00 0.00 0.00 46.02 44.47 1b8m n GLY 62 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1b8m n TYR 63 N -0.06 0.05 -1.82 1.61 4.01 -1.26 -4.38 117.16 115.30 1b8m n TYR 63 Ca -0.01 -0.02 -0.24 0.00 -0.16 0.00 0.00 57.90 57.46 1b8m n TYR 63 Cb 0.03 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.11 1b8m n TYR 63 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1b8m n THR 64 N 1.24 2.77 0.08 -0.72 -2.24 -1.26 -4.66 114.28 109.49 1b8m n THR 64 Ca 0.15 -3.82 -0.09 0.00 -2.27 0.00 0.00 64.05 58.02 1b8m n THR 64 Cb 0.58 -1.07 -0.08 0.00 -2.10 0.00 0.00 70.33 67.65 1b8m n THR 64 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1b8m h LYS 65 N 2.04 0.12 0.07 -0.78 1.57 -1.90 -3.33 116.57 114.36 1b8m h LYS 65 Ca 0.40 -0.17 -0.25 0.00 -1.87 0.00 0.00 60.65 58.77 1b8m h LYS 65 Cb 1.37 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.74 1b8m h LYS 65 CO 0.90 1.02 -1.11 0.93 -0.57 0.00 0.00 179.45 180.63 1b8m h GLU 66 N 0.05 0.34 -1.05 3.15 4.39 -1.94 -3.46 114.58 116.05 1b8m h GLU 66 Ca -0.05 -0.46 0.38 0.00 0.34 0.00 0.00 59.36 59.57 1b8m h GLU 66 Cb 1.71 0.15 -0.15 0.00 -0.10 0.00 0.00 28.75 30.36 1b8m h GLU 66 CO 0.15 1.17 0.98 0.20 -1.16 0.00 0.00 179.01 180.35 1b8m s GLY 67 N -4.54 -0.43 0.54 -3.84 0.00 -1.25 -4.83 107.32 92.96 1b8m s GLY 67 Ca -0.05 1.19 -0.18 0.00 0.00 0.00 0.00 44.72 45.68 1b8m s GLY 67 CO 0.88 0.29 1.04 0.00 0.00 0.00 0.00 173.10 175.30 1b8m s ARG 69 N -3.68 2.78 0.00 0.00 0.52 0.78 -3.71 118.95 115.62 1b8m s ARG 69 Ca 0.65 1.99 0.00 0.00 -0.52 0.00 0.00 55.73 57.85 1b8m s ARG 69 Cb -0.16 -1.92 0.00 0.00 0.52 0.00 0.00 34.95 33.40 1b8m s ARG 69 CO 0.28 -1.40 0.00 0.41 0.02 0.00 0.00 175.30 174.61 1b8m n GLY 70 N 0.74 0.19 3.75 -3.53 0.00 -1.26 -4.76 105.19 100.32 1b8m n GLY 70 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1b8m n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b8m s ILE 71 N -1.53 2.71 -0.92 -0.61 -1.09 -1.24 -4.92 121.20 113.60 1b8m s ILE 71 Ca 0.00 0.43 -0.23 0.00 -2.23 0.00 0.00 60.65 58.61 1b8m s ILE 71 Cb 0.00 -3.14 0.06 0.00 -1.58 0.00 0.00 42.46 37.81 1b8m s ILE 71 CO 0.00 -0.11 1.32 -0.62 -1.23 0.00 0.00 174.94 174.30 1b8m s ASP 72 N -1.71 6.43 0.63 3.58 -1.08 -1.26 -4.88 116.67 118.38 1b8m s ASP 72 Ca 0.76 -1.31 0.32 0.00 -0.52 0.00 0.00 52.55 51.80 1b8m s ASP 72 Cb -0.29 -2.53 1.75 0.00 -1.46 0.00 0.00 42.92 40.40 1b8m s ASP 72 CO 0.34 -1.50 2.05 0.11 0.52 0.00 0.00 175.17 176.69 1b8m h LYS 73 N 9.67 0.00 -0.38 4.34 1.79 -1.92 -2.35 116.57 127.72 1b8m h LYS 73 Ca 0.06 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.49 1b8m h LYS 73 Cb 1.03 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.66 1b8m h LYS 73 CO 1.33 0.00 0.10 0.00 -1.08 0.00 0.00 179.45 179.80 1b8m h ARG 74 N 0.00 0.56 0.00 3.15 3.08 -1.95 -3.35 114.38 115.87 1b8m h ARG 74 Ca 0.06 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1b8m h ARG 74 Cb 0.57 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1b8m h ARG 74 CO -0.00 0.51 -1.10 0.72 -1.07 0.00 0.00 179.97 179.03 1b8m n HIS 75 N -4.34 0.00 -4.15 3.04 8.25 -0.91 -5.08 115.22 112.03 1b8m n HIS 75 Ca 0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.39 1b8m n HIS 75 Cb 0.18 -0.08 -0.10 0.00 1.12 0.00 0.00 29.99 31.11 1b8m n HIS 75 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1b8m s TRP 76 N -2.19 0.80 0.26 4.41 0.52 -1.03 -4.44 118.94 117.27 1b8m s TRP 76 Ca -0.01 -1.10 0.10 0.00 0.02 0.00 0.00 56.10 55.11 1b8m s TRP 76 Cb 0.02 -0.49 -0.04 0.00 -1.15 0.00 0.00 33.47 31.81 1b8m s TRP 76 CO 0.16 -0.37 -0.02 -0.80 0.02 0.00 0.00 176.95 175.94 1b8m s ASN 77 N -3.02 4.49 0.20 2.95 0.01 0.58 -4.38 114.94 115.77 1b8m s ASN 77 Ca 0.16 -0.65 -0.02 0.00 -0.71 0.00 0.00 52.86 51.64 1b8m s ASN 77 Cb 0.07 -0.82 -0.04 0.00 0.41 0.00 0.00 41.25 40.88 1b8m s ASN 77 CO -0.03 0.01 0.16 -0.94 -1.51 0.00 0.00 177.10 174.80 1b8m s SER 78 N -3.57 0.14 -0.26 -1.22 1.04 -1.26 -0.95 113.70 107.62 1b8m s SER 78 Ca 0.31 -1.31 -0.18 0.00 0.48 0.00 0.00 55.95 55.24 1b8m s SER 78 Cb -0.07 0.39 0.07 0.00 0.10 0.00 0.00 66.02 66.52 1b8m s SER 78 CO 0.19 -0.86 0.66 -1.58 0.98 0.00 0.00 173.24 172.63 1b8m s GLN 79 N -4.13 0.71 -0.22 4.02 0.74 -0.47 -4.50 119.66 115.80 1b8m s GLN 79 Ca 0.35 1.07 -0.16 0.00 0.05 0.00 0.00 55.36 56.68 1b8m s GLN 79 Cb 0.06 0.22 -0.04 0.00 1.10 0.00 0.00 33.01 34.35 1b8m s GLN 79 CO 0.10 -0.13 0.40 0.00 -0.55 0.00 0.00 175.29 175.12 1b8m s ARG 81 N 1.56 1.29 0.20 0.00 0.52 -0.30 -4.93 118.95 117.29 1b8m s ARG 81 Ca 0.18 -0.62 -0.30 0.00 -0.52 0.00 0.00 55.73 54.47 1b8m s ARG 81 Cb -0.15 -1.26 -0.08 0.00 0.52 0.00 0.00 34.95 33.97 1b8m s ARG 81 CO 0.08 0.34 1.26 0.99 0.02 0.00 0.00 175.30 178.00 1b8m s THR 82 N -0.45 3.35 0.16 0.02 2.01 -1.26 -1.25 115.64 118.23 1b8m s THR 82 Ca 0.06 1.13 0.10 0.00 0.31 0.00 0.00 61.69 63.29 1b8m s THR 82 Cb -0.07 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 1b8m s THR 82 CO -0.00 0.18 -0.16 0.42 -0.69 0.00 0.00 174.62 174.36 1b8m s THR 83 N -0.00 2.86 0.42 -0.82 -4.23 0.26 -4.92 115.64 109.20 1b8m s THR 83 Ca 0.55 -1.71 0.08 0.00 -1.18 0.00 0.00 61.69 59.43 1b8m s THR 83 Cb -0.35 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.12 1b8m s THR 83 CO 0.38 -0.05 0.53 -1.10 -0.54 0.00 0.00 174.62 173.84 1b8m s GLN 84 N -2.57 2.76 0.08 3.99 -0.21 -1.26 -1.79 119.66 120.65 1b8m s GLN 84 Ca 0.22 -1.31 -0.24 0.00 0.02 0.00 0.00 55.36 54.05 1b8m s GLN 84 Cb -0.09 -2.68 0.06 0.00 1.00 0.00 0.00 33.01 31.30 1b8m s GLN 84 CO 0.12 -0.26 0.57 0.45 -2.12 0.00 0.00 175.29 174.05 1b8m s SER 85 N -4.31 -0.51 -0.07 5.90 0.15 -0.83 -4.79 113.70 109.24 1b8m s SER 85 Ca 0.54 0.17 -0.18 0.00 0.70 0.00 0.00 55.95 57.17 1b8m s SER 85 Cb -0.08 0.54 -0.05 0.00 -1.71 0.00 0.00 66.02 64.72 1b8m s SER 85 CO 0.32 -0.81 0.51 -0.31 1.20 0.00 0.00 173.24 174.15 1b8m s TYR 86 N -2.82 3.59 -0.02 3.44 2.02 -1.26 -1.83 117.35 120.47 1b8m s TYR 86 Ca -0.03 1.00 0.03 0.00 -0.37 0.00 0.00 57.07 57.70 1b8m s TYR 86 Cb -0.00 -2.54 -0.01 0.00 -0.40 0.00 0.00 41.96 39.01 1b8m s TYR 86 CO -0.05 0.28 -0.11 0.54 -1.57 0.00 0.00 175.55 174.64 1b8m s VAL 87 N 0.19 0.91 0.18 0.71 0.11 -0.33 -4.93 120.40 117.24 1b8m s VAL 87 Ca 0.27 -0.47 -0.27 0.00 -2.93 0.00 0.00 61.98 58.58 1b8m s VAL 87 Cb -0.16 -0.77 -0.08 0.00 -1.53 0.00 0.00 36.38 33.84 1b8m s VAL 87 CO 0.13 0.26 0.84 -0.60 -3.33 0.00 0.00 175.10 172.41 1b8m s ARG 88 N -0.12 4.67 0.03 1.54 3.52 -1.26 -0.93 118.95 126.40 1b8m s ARG 88 Ca 0.02 1.28 -0.13 0.00 -0.13 0.00 0.00 55.73 56.77 1b8m s ARG 88 Cb -0.06 -3.28 0.02 0.00 -1.56 0.00 0.00 34.95 30.06 1b8m s ARG 88 CO -0.00 0.51 0.28 0.00 -0.81 0.00 0.00 175.30 175.27 1b8m s ALA 89 N -0.99 -0.63 -0.54 6.12 0.00 0.04 -4.94 121.76 120.82 1b8m s ALA 89 Ca 0.38 0.01 -0.28 0.00 0.00 0.00 0.00 51.96 52.07 1b8m s ALA 89 Cb -0.24 0.25 0.03 0.00 0.00 0.00 0.00 23.12 23.16 1b8m s ALA 89 CO 0.28 -0.36 1.21 -1.17 0.00 0.00 0.00 175.76 175.72 1b8m s LEU 90 N -1.89 3.50 0.50 0.00 2.96 -1.26 -1.55 118.68 120.95 1b8m s LEU 90 Ca -0.07 0.27 0.03 0.00 -0.22 0.00 0.00 54.13 54.13 1b8m s LEU 90 Cb -0.02 -3.29 -0.01 0.00 0.50 0.00 0.00 46.19 43.37 1b8m s LEU 90 CO -0.02 -1.44 0.10 0.42 -1.32 0.00 0.00 176.35 174.10 1b8m s THR 91 N 4.95 1.40 -0.12 3.68 -4.23 0.07 -2.11 115.64 119.28 1b8m s THR 91 Ca 0.46 -1.87 -0.04 0.00 -1.18 0.00 0.00 61.69 59.06 1b8m s THR 91 Cb -0.08 -2.27 0.06 0.00 1.34 0.00 0.00 72.50 71.55 1b8m s THR 91 CO 0.28 0.00 0.19 -0.32 -0.54 0.00 0.00 174.62 174.23 1b8m s MET 92 N -3.95 0.09 0.82 3.99 1.75 0.61 -0.95 119.30 121.67 1b8m s MET 92 Ca 0.16 0.50 -0.14 0.00 -1.25 0.00 0.00 55.69 54.96 1b8m s MET 92 Cb 0.02 -0.48 0.19 0.00 2.84 0.00 0.00 34.83 37.40 1b8m s MET 92 CO 0.09 -0.39 0.98 -0.40 -0.65 0.00 0.00 175.02 174.65 1b8m n ASP 93 N 5.33 -0.51 0.30 1.11 5.68 -1.06 -0.97 116.55 126.43 1b8m n ASP 93 Ca -0.05 -1.27 0.18 0.00 -0.50 0.00 0.00 54.79 53.15 1b8m n ASP 93 Cb 0.50 -0.79 1.01 0.00 -1.14 0.00 0.00 41.12 40.70 1b8m n ASP 93 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1b8m h SER 94 N -1.67 0.00 -0.52 -1.12 4.64 -1.93 -1.63 113.55 111.32 1b8m h SER 94 Ca -0.33 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 1b8m h SER 94 Cb 0.94 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1b8m h SER 94 CO 0.23 0.00 0.01 0.29 -0.87 0.00 0.00 176.83 176.49 1b8m n LYS 95 N -3.55 4.45 -0.98 4.77 4.01 -1.26 -4.94 118.16 120.67 1b8m n LYS 95 Ca -0.03 -2.80 0.00 0.00 -0.51 0.00 0.00 58.31 54.97 1b8m n LYS 95 Cb 0.11 -2.19 0.00 0.00 -0.51 0.00 0.00 35.03 32.44 1b8m n LYS 95 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1b8m n LYS 96 N 0.53 -0.95 -2.58 1.97 4.76 -0.61 -4.98 118.16 116.30 1b8m n LYS 96 Ca 0.25 0.24 -0.43 0.00 -2.87 0.00 0.00 58.31 55.50 1b8m n LYS 96 Cb 1.10 -3.99 -0.02 0.00 -1.84 0.00 0.00 35.03 30.28 1b8m n LYS 96 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1b8m s ARG 97 N -0.99 3.92 -0.08 1.97 0.52 -1.26 -4.80 118.95 118.23 1b8m s ARG 97 Ca 0.00 0.94 -0.30 0.00 -0.52 0.00 0.00 55.73 55.86 1b8m s ARG 97 Cb 0.00 -3.82 -0.02 0.00 0.52 0.00 0.00 34.95 31.62 1b8m s ARG 97 CO 0.00 -1.11 1.15 0.42 0.02 0.00 0.00 175.30 175.79 1b8m s ILE 98 N 4.08 4.40 0.09 1.52 -1.09 -1.26 -2.56 121.20 126.37 1b8m s ILE 98 Ca 0.49 1.70 -0.26 0.00 -2.23 0.00 0.00 60.65 60.35 1b8m s ILE 98 Cb -0.11 -4.10 0.08 0.00 -1.58 0.00 0.00 42.46 36.75 1b8m s ILE 98 CO 0.22 -0.02 0.85 -0.83 -1.23 0.00 0.00 174.94 173.93 1b8m s GLY 99 N 1.42 -0.40 -0.18 6.18 0.00 -0.12 -4.99 107.32 109.22 1b8m s GLY 99 Ca 0.54 0.59 -0.29 0.00 0.00 0.00 0.00 44.72 45.55 1b8m s GLY 99 CO 0.20 0.18 1.03 -0.98 0.00 0.00 0.00 173.10 173.53 1b8m s TRP 100 N -3.32 3.42 0.22 1.90 0.52 -1.26 -0.75 118.94 119.66 1b8m s TRP 100 Ca 0.07 1.52 0.03 0.00 0.02 0.00 0.00 56.10 57.74 1b8m s TRP 100 Cb -0.01 -3.23 -0.05 0.00 -1.15 0.00 0.00 33.47 29.02 1b8m s TRP 100 CO -0.05 -0.37 0.02 1.03 0.02 0.00 0.00 176.95 177.59 1b8m s ARG 101 N 2.68 1.28 -0.33 4.98 0.52 -0.59 -4.95 118.95 122.54 1b8m s ARG 101 Ca 0.46 -1.65 -0.12 0.00 -0.52 0.00 0.00 55.73 53.90 1b8m s ARG 101 Cb -0.16 -0.44 -0.01 0.00 0.52 0.00 0.00 34.95 34.85 1b8m s ARG 101 CO 0.11 -0.15 0.22 -0.06 0.02 0.00 0.00 175.30 175.44 1b8m s PHE 102 N -3.56 3.21 0.14 -0.53 0.08 -1.26 -0.78 117.98 115.29 1b8m s PHE 102 Ca 0.29 -0.33 0.06 0.00 0.12 0.00 0.00 56.93 57.06 1b8m s PHE 102 Cb 0.06 -2.44 -0.04 0.00 -0.57 0.00 0.00 43.02 40.03 1b8m s PHE 102 CO 0.08 -0.40 0.03 0.96 -0.10 0.00 0.00 175.22 175.80 1b8m s ILE 103 N 1.69 4.02 -0.06 0.64 -4.36 -0.10 -1.03 121.20 122.00 1b8m s ILE 103 Ca 0.06 -1.18 -0.15 0.00 -0.26 0.00 0.00 60.65 59.11 1b8m s ILE 103 Cb -0.17 -2.99 -0.05 0.00 1.25 0.00 0.00 42.46 40.49 1b8m s ILE 103 CO 0.09 -0.03 0.41 0.00 0.24 0.00 0.00 174.94 175.65 1b8m s ARG 104 N -2.75 4.08 0.09 0.37 1.70 -0.44 -1.18 118.95 120.82 1b8m s ARG 104 Ca 0.28 0.37 0.02 0.00 -0.47 0.00 0.00 55.73 55.93 1b8m s ARG 104 Cb -0.10 -3.31 -0.04 0.00 -0.57 0.00 0.00 34.95 30.93 1b8m s ARG 104 CO 0.20 0.48 -0.07 0.96 -1.08 0.00 0.00 175.30 175.79 1b8m s ILE 105 N -0.37 0.67 -0.06 4.99 -4.36 -0.76 -4.66 121.20 116.65 1b8m s ILE 105 Ca 0.23 -1.80 -0.30 0.00 -0.26 0.00 0.00 60.65 58.53 1b8m s ILE 105 Cb -0.16 -1.51 -0.05 0.00 1.25 0.00 0.00 42.46 41.99 1b8m s ILE 105 CO 0.11 -0.79 1.64 -1.81 0.24 0.00 0.00 174.94 174.33 1b8m s ASP 106 N -2.81 6.67 0.00 4.36 1.01 -1.26 -1.96 116.67 122.68 1b8m s ASP 106 Ca 0.08 2.22 0.00 0.00 0.71 0.00 0.00 52.55 55.56 1b8m s ASP 106 Cb 0.03 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.42 1b8m s ASP 106 CO -0.04 -0.92 0.06 0.35 0.21 0.00 0.00 175.17 174.82 1b8m n THR 107 N 5.48 0.00 -3.68 -1.27 -2.24 -0.74 -1.57 114.28 110.26 1b8m n THR 107 Ca 0.17 -0.42 -0.07 0.00 -2.27 0.00 0.00 64.05 61.47 1b8m n THR 107 Cb 0.43 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.66 1b8m n THR 107 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1b8m s SER 108 N -0.72 -0.30 -0.25 3.42 1.04 -1.13 -4.62 113.70 111.15 1b8m s SER 108 Ca 0.00 -0.32 -0.01 0.00 0.48 0.00 0.00 55.95 56.10 1b8m s SER 108 Cb 0.00 0.55 0.07 0.00 0.10 0.00 0.00 66.02 66.74 1b8m s SER 108 CO 0.00 -0.98 0.03 0.00 0.98 0.00 0.00 173.24 173.28 1b8m s VAL 110 N 1.63 2.91 0.18 0.00 -7.23 -0.38 -4.77 120.40 112.73 1b8m s VAL 110 Ca 0.02 -2.07 -0.13 0.00 -1.81 0.00 0.00 61.98 57.99 1b8m s VAL 110 Cb -0.18 -2.51 -0.07 0.00 0.56 0.00 0.00 36.38 34.18 1b8m s VAL 110 CO -0.13 -0.31 0.56 0.00 -0.31 0.00 0.00 175.10 174.91 1b8m s THR 112 N -1.61 -0.06 0.30 0.00 2.01 -0.51 -4.97 115.64 110.81 1b8m s THR 112 Ca 0.42 0.21 -0.15 0.00 0.31 0.00 0.00 61.69 62.47 1b8m s THR 112 Cb -0.13 -0.14 -0.09 0.00 0.01 0.00 0.00 72.50 72.15 1b8m s THR 112 CO 0.20 0.08 0.72 -0.76 -0.69 0.00 0.00 174.62 174.18 1b8m s LEU 113 N 1.12 4.11 -0.02 4.42 1.02 -1.26 -1.37 118.68 126.70 1b8m s LEU 113 Ca -0.09 1.28 -0.12 0.00 0.02 0.00 0.00 54.13 55.22 1b8m s LEU 113 Cb -0.12 -3.99 0.02 0.00 0.02 0.00 0.00 46.19 42.12 1b8m s LEU 113 CO -0.04 -0.16 0.25 0.28 0.02 0.00 0.00 176.35 176.70 1b8m s THR 114 N -1.91 0.06 1.02 5.49 -1.32 -0.12 -4.96 115.64 113.90 1b8m s THR 114 Ca 0.52 -0.48 -0.14 0.00 -1.21 0.00 0.00 61.69 60.38 1b8m s THR 114 Cb -0.11 -0.53 0.20 0.00 -1.51 0.00 0.00 72.50 70.55 1b8m s THR 114 CO 0.18 -0.26 1.12 0.27 -2.21 0.00 0.00 174.62 173.71 1b8m s ILE 115 N -1.15 1.92 0.00 5.08 -4.36 -1.26 -0.31 121.20 121.12 1b8m s ILE 115 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.27 1b8m s ILE 115 Cb -0.06 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 41.08 1b8m s ILE 115 CO 0.03 0.00 0.00 0.29 0.24 0.00 0.00 174.94 175.50