#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rei s ILE 2 N 0.00 5.23 -0.04 2.12 1.01 -1.26 -5.05 121.20 123.21 1rei s ILE 2 Ca 0.00 0.76 -0.08 0.00 0.00 0.00 0.00 60.65 61.33 1rei s ILE 2 Cb 0.00 -3.73 -0.05 0.00 0.01 0.00 0.00 42.46 38.70 1rei s ILE 2 CO 0.00 0.38 0.25 -1.58 0.00 0.00 0.00 174.94 173.99 1rei s GLN 3 N 0.41 3.60 -0.14 2.79 -0.44 -1.26 -4.73 119.66 119.89 1rei s GLN 3 Ca 0.22 0.01 0.02 0.00 -2.50 0.00 0.00 55.36 53.10 1rei s GLN 3 Cb -0.14 -3.15 0.02 0.00 -1.64 0.00 0.00 33.01 28.09 1rei s GLN 3 CO 0.08 0.70 -0.18 -1.64 0.50 0.00 0.00 175.29 174.75 1rei s MET 4 N -1.36 2.67 -0.28 1.67 -1.94 -1.26 -2.51 119.30 116.29 1rei s MET 4 Ca 0.22 -0.72 -0.06 0.00 -1.71 0.00 0.00 55.69 53.42 1rei s MET 4 Cb -0.14 -2.25 0.00 0.00 2.01 0.00 0.00 34.83 34.46 1rei s MET 4 CO 0.11 -0.10 0.06 0.99 -0.01 0.00 0.00 175.02 176.08 1rei s THR 5 N 1.06 3.92 -0.10 2.05 2.01 0.02 -4.31 115.64 120.29 1rei s THR 5 Ca -0.03 -0.63 -0.01 0.00 0.31 0.00 0.00 61.69 61.33 1rei s THR 5 Cb -0.14 -2.98 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 1rei s THR 5 CO -0.05 0.14 -0.04 -1.58 -0.69 0.00 0.00 174.62 172.40 1rei s GLN 6 N 1.50 3.06 -0.05 4.92 0.74 -1.26 -1.17 119.66 127.40 1rei s GLN 6 Ca 0.03 -0.50 -0.17 0.00 0.05 0.00 0.00 55.36 54.77 1rei s GLN 6 Cb -0.17 -2.73 0.03 0.00 1.10 0.00 0.00 33.01 31.24 1rei s GLN 6 CO 0.02 0.57 0.38 0.45 -0.55 0.00 0.00 175.29 176.15 1rei s SER 7 N -0.52 -0.30 1.23 6.67 0.15 -0.81 -4.53 113.70 115.59 1rei s SER 7 Ca 0.08 0.32 -0.15 0.00 0.70 0.00 0.00 55.95 56.91 1rei s SER 7 Cb -0.12 0.45 0.22 0.00 -1.71 0.00 0.00 66.02 64.86 1rei s SER 7 CO 0.02 -0.40 0.64 -0.81 1.20 0.00 0.00 173.24 173.89 1rei n PRO 8 N 1.57 -3.09 -0.04 5.44 -0.04 -1.26 -0.14 135.00 137.45 1rei n PRO 8 Ca -0.19 -1.04 0.02 0.00 -0.04 0.00 0.00 63.50 62.24 1rei n PRO 8 Cb 0.56 -1.14 -0.14 0.00 -0.04 0.00 0.00 33.50 32.75 1rei n PRO 8 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1rei n SER 9 N -4.50 0.72 -3.55 3.54 3.41 -1.26 -4.31 113.62 107.67 1rei n SER 9 Ca 0.09 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.59 1rei n SER 9 Cb 0.38 1.48 -0.04 0.00 -0.26 0.00 0.00 64.21 65.78 1rei n SER 9 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1rei s SER 10 N -4.55 -0.37 -0.28 4.04 0.15 -1.26 -2.75 113.70 108.67 1rei s SER 10 Ca -0.08 -0.15 -0.16 0.00 0.70 0.00 0.00 55.95 56.26 1rei s SER 10 Cb 0.09 0.52 0.09 0.00 -1.71 0.00 0.00 66.02 65.01 1rei s SER 10 CO 0.75 -0.88 0.72 -0.22 1.20 0.00 0.00 173.24 174.81 1rei s LEU 11 N -2.70 -0.90 -0.12 3.45 0.20 -0.86 -4.98 118.68 112.77 1rei s LEU 11 Ca 0.01 1.44 0.00 0.00 0.69 0.00 0.00 54.13 56.28 1rei s LEU 11 Cb 0.01 2.32 -0.02 0.00 -0.43 0.00 0.00 46.19 48.08 1rei s LEU 11 CO -0.11 -0.23 -0.14 -0.44 -0.29 0.00 0.00 176.35 175.14 1rei s SER 12 N 1.56 3.97 0.23 3.68 0.01 -1.26 -1.56 113.70 120.33 1rei s SER 12 Ca -0.10 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 56.87 1rei s SER 12 Cb -0.05 -1.54 -0.01 0.00 0.21 0.00 0.00 66.02 64.63 1rei s SER 12 CO -0.19 0.18 0.11 0.00 0.41 0.00 0.00 173.24 173.75 1rei n ALA 13 N 3.42 0.36 -2.22 1.44 0.00 -1.09 -4.90 120.51 117.53 1rei n ALA 13 Ca -0.18 -1.22 -0.13 0.00 0.00 0.00 0.00 53.44 51.92 1rei n ALA 13 Cb 0.53 0.86 -0.10 0.00 0.00 0.00 0.00 19.45 20.73 1rei n ALA 13 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1rei s SER 14 N -2.47 0.42 0.38 0.00 1.04 -1.26 0.16 113.70 111.96 1rei s SER 14 Ca 0.15 -1.35 -0.15 0.00 0.48 0.00 0.00 55.95 55.07 1rei s SER 14 Cb 0.01 0.31 -0.09 0.00 0.10 0.00 0.00 66.02 66.35 1rei s SER 14 CO 0.11 -0.79 0.81 0.68 0.98 0.00 0.00 173.24 175.02 1rei s VAL 15 N -4.04 4.63 0.00 5.02 -7.23 -1.26 -1.32 120.40 116.19 1rei s VAL 15 Ca 0.36 1.01 0.00 0.00 -1.81 0.00 0.00 61.98 61.54 1rei s VAL 15 Cb 0.07 -3.64 0.00 0.00 0.56 0.00 0.00 36.38 33.37 1rei s VAL 15 CO 0.10 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.18 1rei n GLY 16 N -0.71 2.85 3.84 2.32 0.00 -0.14 -4.90 105.19 108.46 1rei n GLY 16 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1rei n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rei s ASP 17 N -1.38 5.28 -0.11 1.61 1.01 -0.44 -4.44 116.67 118.21 1rei s ASP 17 Ca 0.00 1.34 -0.18 0.00 0.71 0.00 0.00 52.55 54.42 1rei s ASP 17 Cb 0.00 -2.18 -0.04 0.00 1.01 0.00 0.00 42.92 41.71 1rei s ASP 17 CO 0.00 -1.47 0.46 -0.60 0.21 0.00 0.00 175.17 173.77 1rei s ARG 18 N -5.20 4.30 -0.01 8.23 3.52 -1.26 -2.43 118.95 126.10 1rei s ARG 18 Ca 0.58 0.43 0.08 0.00 -0.13 0.00 0.00 55.73 56.70 1rei s ARG 18 Cb -0.13 -3.41 -0.02 0.00 -1.56 0.00 0.00 34.95 29.83 1rei s ARG 18 CO 0.54 0.22 -0.25 0.08 -0.81 0.00 0.00 175.30 175.07 1rei s VAL 19 N 0.42 2.12 -0.09 7.11 1.01 -1.01 -5.01 120.40 124.95 1rei s VAL 19 Ca 0.25 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1rei s VAL 19 Cb -0.15 -1.76 0.02 0.00 0.00 0.00 0.00 36.38 34.49 1rei s VAL 19 CO 0.10 0.53 -0.07 -0.89 0.00 0.00 0.00 175.10 174.78 1rei s THR 20 N -0.66 0.88 -0.06 3.92 2.01 -1.26 -1.80 115.64 118.67 1rei s THR 20 Ca 0.10 -0.23 0.05 0.00 0.31 0.00 0.00 61.69 61.93 1rei s THR 20 Cb -0.10 -0.90 -0.01 0.00 0.01 0.00 0.00 72.50 71.49 1rei s THR 20 CO -0.00 0.33 -0.22 0.27 -0.69 0.00 0.00 174.62 174.31 1rei s ILE 21 N 1.49 2.34 0.35 1.82 -5.25 -0.62 -4.69 121.20 116.64 1rei s ILE 21 Ca -0.00 -0.97 0.08 0.00 -0.99 0.00 0.00 60.65 58.77 1rei s ILE 21 Cb -0.13 -1.87 -0.04 0.00 2.95 0.00 0.00 42.46 43.36 1rei s ILE 21 CO -0.05 0.57 0.13 0.42 -1.79 0.00 0.00 174.94 174.23 1rei s THR 22 N -0.26 2.86 -0.03 8.37 -4.23 0.81 -1.00 115.64 122.16 1rei s THR 22 Ca -0.00 -1.73 -0.01 0.00 -1.18 0.00 0.00 61.69 58.77 1rei s THR 22 Cb -0.13 -2.95 0.03 0.00 1.34 0.00 0.00 72.50 70.79 1rei s THR 22 CO 0.03 -0.16 0.05 0.00 -0.54 0.00 0.00 174.62 174.00 1rei s GLN 24 N 1.56 3.39 0.20 0.00 -0.21 -0.32 -0.98 119.66 123.29 1rei s GLN 24 Ca -0.03 -0.26 0.05 0.00 0.02 0.00 0.00 55.36 55.14 1rei s GLN 24 Cb -0.13 -3.06 -0.03 0.00 1.00 0.00 0.00 33.01 30.79 1rei s GLN 24 CO -0.03 0.66 0.25 0.00 -2.12 0.00 0.00 175.29 174.05 1rei s ALA 25 N -0.72 3.78 -2.27 6.09 0.00 0.43 -0.80 121.76 128.26 1rei s ALA 25 Ca 0.12 -1.21 0.21 0.00 0.00 0.00 0.00 51.96 51.08 1rei s ALA 25 Cb -0.12 -1.56 0.53 0.00 0.00 0.00 0.00 23.12 21.97 1rei s ALA 25 CO 0.03 0.40 1.45 -1.13 0.00 0.00 0.00 175.76 176.50 1rei n SER 26 N -0.84 3.00 -3.63 0.00 3.41 -1.04 -4.78 113.62 109.73 1rei n SER 26 Ca -0.08 -1.94 -0.15 0.00 -0.26 0.00 0.00 58.87 56.44 1rei n SER 26 Cb 0.56 -0.27 -0.07 0.00 -0.26 0.00 0.00 64.21 64.16 1rei n SER 26 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1rei s GLN 27 N -1.45 0.81 -0.59 4.33 0.74 -1.26 -4.96 119.66 117.26 1rei s GLN 27 Ca 0.38 0.71 -0.40 0.00 0.05 0.00 0.00 55.36 56.10 1rei s GLN 27 Cb 0.21 0.39 -0.19 0.00 1.10 0.00 0.00 33.01 34.52 1rei s GLN 27 CO 0.29 -0.14 2.19 -3.47 -0.55 0.00 0.00 175.29 173.61 1rei n ASP 28 N 2.30 0.63 -0.56 6.67 4.64 -1.26 -4.74 116.55 124.23 1rei n ASP 28 Ca -0.15 0.55 0.05 0.00 -1.38 0.00 0.00 54.79 53.86 1rei n ASP 28 Cb 0.56 -0.88 0.13 0.00 -1.04 0.00 0.00 41.12 39.89 1rei n ASP 28 CO 0.00 0.00 0.00 2.30 -0.82 0.00 0.00 177.20 178.68 1rei n ILE 29 N 6.51 0.94 0.00 5.18 -5.35 -1.06 -5.00 119.36 120.58 1rei n ILE 29 Ca 0.56 -0.97 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 1rei n ILE 29 Cb -0.02 0.55 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 1rei n ILE 29 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1rei n ILE 30 N 0.42 0.00 -2.03 7.28 5.41 -1.24 -1.36 119.36 127.84 1rei n ILE 30 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.85 1rei n ILE 30 Cb 0.40 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.33 1rei n ILE 30 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1rei n LYS 31 N 0.00 0.00 -3.46 0.38 2.85 -1.26 -2.24 118.16 114.43 1rei n LYS 31 Ca 0.00 -0.81 -0.43 0.00 -1.05 0.00 0.00 58.31 56.02 1rei n LYS 31 Cb 0.00 -0.32 -0.04 0.00 -0.65 0.00 0.00 35.03 34.02 1rei n LYS 31 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1rei s TYR 32 N 0.00 3.72 -0.06 5.58 2.02 -0.47 -3.35 117.35 124.80 1rei s TYR 32 Ca 0.02 -2.32 -0.03 0.00 -0.37 0.00 0.00 57.07 54.36 1rei s TYR 32 Cb 0.02 -3.61 0.03 0.00 -0.40 0.00 0.00 41.96 38.00 1rei s TYR 32 CO -0.01 -0.93 0.14 -1.17 -1.57 0.00 0.00 175.55 172.01 1rei s LEU 33 N -0.13 0.98 0.00 -1.29 2.96 -1.26 -2.55 118.68 117.39 1rei s LEU 33 Ca 0.19 0.28 0.05 0.00 -0.22 0.00 0.00 54.13 54.43 1rei s LEU 33 Cb -0.13 0.38 -0.03 0.00 0.50 0.00 0.00 46.19 46.91 1rei s LEU 33 CO -0.08 -0.12 -0.13 0.20 -1.32 0.00 0.00 176.35 174.91 1rei s ASN 34 N 0.82 4.12 -0.13 3.68 0.02 0.75 -0.24 114.94 123.96 1rei s ASN 34 Ca -0.06 -0.27 -0.01 0.00 -1.02 0.00 0.00 52.86 51.50 1rei s ASN 34 Cb -0.08 -0.83 -0.02 0.00 0.02 0.00 0.00 41.25 40.34 1rei s ASN 34 CO -0.04 0.29 -0.10 0.26 0.02 0.00 0.00 177.10 177.53 1rei s TRP 35 N -0.89 2.88 0.11 2.20 0.52 -0.48 -0.96 118.94 122.32 1rei s TRP 35 Ca 0.14 -0.46 0.09 0.00 0.02 0.00 0.00 56.10 55.89 1rei s TRP 35 Cb -0.11 -1.85 -0.04 0.00 -1.15 0.00 0.00 33.47 30.32 1rei s TRP 35 CO 0.05 -0.09 -0.20 0.71 0.02 0.00 0.00 176.95 177.43 1rei s TYR 36 N 0.20 2.50 -0.04 -1.98 1.51 0.26 -1.51 117.35 118.29 1rei s TYR 36 Ca -0.06 -0.28 0.07 0.00 -1.01 0.00 0.00 57.07 55.79 1rei s TYR 36 Cb -0.15 -1.34 -0.01 0.00 -0.11 0.00 0.00 41.96 40.35 1rei s TYR 36 CO 0.04 0.36 -0.25 -1.14 -1.11 0.00 0.00 175.55 173.45 1rei s GLN 37 N -2.05 2.36 -0.22 -0.62 0.74 -0.11 -1.05 119.66 118.72 1rei s GLN 37 Ca 0.17 -0.91 -0.03 0.00 0.05 0.00 0.00 55.36 54.64 1rei s GLN 37 Cb -0.10 -2.10 0.07 0.00 1.10 0.00 0.00 33.01 31.97 1rei s GLN 37 CO 0.09 0.45 0.07 -1.14 -0.55 0.00 0.00 175.29 174.21 1rei s GLN 38 N -0.34 0.50 0.61 1.67 0.74 -0.01 -0.67 119.66 122.16 1rei s GLN 38 Ca 0.02 -0.48 -0.10 0.00 0.05 0.00 0.00 55.36 54.85 1rei s GLN 38 Cb -0.12 -1.92 -0.04 0.00 1.10 0.00 0.00 33.01 32.03 1rei s GLN 38 CO 0.02 -0.75 1.01 0.99 -0.55 0.00 0.00 175.29 176.01 1rei s THR 39 N 1.90 4.65 0.17 -0.34 2.01 -1.26 -1.27 115.64 121.51 1rei s THR 39 Ca 0.02 0.78 -0.31 0.00 0.31 0.00 0.00 61.69 62.49 1rei s THR 39 Cb -0.17 -3.84 -0.09 0.00 0.01 0.00 0.00 72.50 68.41 1rei s THR 39 CO -0.15 -1.08 1.41 -2.16 -0.69 0.00 0.00 174.62 171.95 1rei s PRO 40 N -5.14 4.31 0.00 4.92 0.04 -1.26 -2.42 135.00 135.45 1rei s PRO 40 Ca 0.54 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.75 1rei s PRO 40 Cb -0.11 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1rei s PRO 40 CO 0.53 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.56 1rei n GLY 41 N 2.98 0.29 3.52 0.56 0.00 -1.26 -5.01 105.19 106.26 1rei n GLY 41 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 1rei n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rei n LYS 42 N -1.53 0.77 -3.35 1.61 4.76 -1.01 -5.08 118.16 114.33 1rei n LYS 42 Ca 0.00 -3.35 -0.38 0.00 -2.87 0.00 0.00 58.31 51.71 1rei n LYS 42 Cb 0.09 0.60 -0.06 0.00 -1.84 0.00 0.00 35.03 33.82 1rei n LYS 42 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1rei s ALA 43 N -2.78 3.61 0.16 7.82 0.00 -1.26 -4.76 121.76 124.55 1rei s ALA 43 Ca 0.17 -0.07 -0.19 0.00 0.00 0.00 0.00 51.96 51.86 1rei s ALA 43 Cb -0.01 -2.56 -0.12 0.00 0.00 0.00 0.00 23.12 20.43 1rei s ALA 43 CO 0.11 0.37 0.34 -0.35 0.00 0.00 0.00 175.76 176.22 1rei n PRO 44 N 2.05 0.00 -4.70 0.00 -0.04 -1.26 -4.77 135.00 126.27 1rei n PRO 44 Ca -0.11 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.09 1rei n PRO 44 Cb 0.51 -0.71 -0.17 0.00 -0.04 0.00 0.00 33.50 33.10 1rei n PRO 44 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1rei s LYS 45 N -0.71 2.04 -0.23 0.54 2.20 0.15 -4.97 119.74 118.75 1rei s LYS 45 Ca 0.45 -0.52 -0.28 0.00 -0.36 0.00 0.00 55.97 55.25 1rei s LYS 45 Cb -0.64 -1.64 -0.04 0.00 -1.51 0.00 0.00 37.83 34.00 1rei s LYS 45 CO 0.40 0.05 1.97 -1.17 -0.36 0.00 0.00 175.35 176.24 1rei s LEU 46 N 0.64 3.62 -0.12 5.43 2.96 -1.26 -0.93 118.68 129.01 1rei s LEU 46 Ca -0.15 1.73 0.06 0.00 -0.22 0.00 0.00 54.13 55.56 1rei s LEU 46 Cb -0.16 -3.52 -0.24 0.00 0.50 0.00 0.00 46.19 42.77 1rei s LEU 46 CO 0.04 -1.69 0.35 0.18 -1.32 0.00 0.00 176.35 173.90 1rei n LEU 47 N 10.38 1.53 -3.72 -0.68 4.77 -0.57 -4.72 117.00 123.99 1rei n LEU 47 Ca 0.25 0.20 -0.12 0.00 -0.03 0.00 0.00 56.01 56.32 1rei n LEU 47 Cb 0.45 -0.30 -0.11 0.00 -2.33 0.00 0.00 43.42 41.13 1rei n LEU 47 CO 0.67 0.62 -0.01 -0.63 -1.33 0.00 0.00 177.39 176.71 1rei s ILE 48 N -2.56 -0.02 0.04 -0.08 1.01 -1.19 -2.67 121.20 115.74 1rei s ILE 48 Ca -0.15 0.08 0.07 0.00 0.00 0.00 0.00 60.65 60.65 1rei s ILE 48 Cb 0.07 -0.51 -0.02 0.00 0.01 0.00 0.00 42.46 42.01 1rei s ILE 48 CO 0.78 0.03 -0.20 -0.47 0.00 0.00 0.00 174.94 175.08 1rei s TYR 49 N 1.00 1.74 -1.19 3.97 5.04 -0.38 -1.38 117.35 126.16 1rei s TYR 49 Ca -0.07 -0.37 -0.28 0.00 -2.44 0.00 0.00 57.07 53.91 1rei s TYR 49 Cb -0.07 -1.04 0.02 0.00 0.35 0.00 0.00 41.96 41.22 1rei s TYR 49 CO -0.08 0.08 0.73 -1.91 -1.34 0.00 0.00 175.55 173.03 1rei n GLU 50 N 1.87 -0.70 0.00 4.97 2.13 -1.18 -1.65 120.64 126.08 1rei n GLU 50 Ca -0.17 0.24 0.00 0.00 0.66 0.00 0.00 57.16 57.89 1rei n GLU 50 Cb 0.53 -3.25 0.00 0.00 0.27 0.00 0.00 31.44 29.00 1rei n GLU 50 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1rei n ALA 51 N -4.67 0.00 -0.01 4.31 0.00 0.66 -4.30 120.51 116.49 1rei n ALA 51 Ca -0.11 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.39 1rei n ALA 51 Cb 0.58 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.92 1rei n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1rei n SER 52 N 0.11 1.72 -4.39 0.00 3.41 -1.21 -3.68 113.62 109.57 1rei n SER 52 Ca 0.00 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.17 1rei n SER 52 Cb 0.00 1.58 -0.06 0.00 -0.26 0.00 0.00 64.21 65.47 1rei n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1rei s ASN 53 N -3.75 6.19 -0.16 4.04 0.01 -0.66 -4.34 114.94 116.26 1rei s ASN 53 Ca -0.05 -1.28 -0.28 0.00 -0.71 0.00 0.00 52.86 50.54 1rei s ASN 53 Cb 0.09 -2.25 -0.13 0.00 0.41 0.00 0.00 41.25 39.37 1rei s ASN 53 CO 0.59 -0.86 0.85 0.18 -1.51 0.00 0.00 177.10 176.36 1rei n LEU 54 N 5.78 0.38 -5.01 0.60 4.77 -1.26 -1.25 117.00 121.01 1rei n LEU 54 Ca -0.10 0.75 -0.18 0.00 -0.03 0.00 0.00 56.01 56.45 1rei n LEU 54 Cb 0.43 -0.58 0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1rei n LEU 54 CO 0.53 -0.88 0.21 -1.58 -1.33 0.00 0.00 177.39 174.33 1rei s GLN 55 N 0.95 2.71 0.30 3.23 2.00 -1.09 -4.92 119.66 122.84 1rei s GLN 55 Ca 0.63 -1.25 -0.30 0.00 -2.00 0.00 0.00 55.36 52.44 1rei s GLN 55 Cb -0.89 -2.71 -0.11 0.00 0.80 0.00 0.00 33.01 30.10 1rei s GLN 55 CO 0.44 -0.42 1.56 0.00 -0.50 0.00 0.00 175.29 176.38 1rei s ALA 56 N -2.45 3.71 0.00 1.58 0.00 -1.26 -2.90 121.76 120.44 1rei s ALA 56 Ca 0.56 1.54 0.00 0.00 0.00 0.00 0.00 51.96 54.06 1rei s ALA 56 Cb -0.09 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1rei s ALA 56 CO 0.35 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.56 1rei n GLY 57 N 1.97 0.27 3.77 0.00 0.00 -1.26 -5.01 105.19 104.94 1rei n GLY 57 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1rei n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rei s VAL 58 N -1.74 4.70 0.92 1.61 1.01 -1.14 -4.98 120.40 120.77 1rei s VAL 58 Ca 0.00 1.44 -0.11 0.00 0.00 0.00 0.00 61.98 63.31 1rei s VAL 58 Cb 0.00 -4.02 0.14 0.00 0.00 0.00 0.00 36.38 32.51 1rei s VAL 58 CO 0.00 0.46 1.10 -2.16 0.00 0.00 0.00 175.10 174.50 1rei s PRO 59 N -0.59 1.03 0.00 2.72 0.04 -1.26 -4.89 135.00 132.05 1rei s PRO 59 Ca 0.33 1.09 0.25 0.00 0.04 0.00 0.00 61.00 62.71 1rei s PRO 59 Cb -0.20 -1.76 0.51 0.00 0.04 0.00 0.00 34.50 33.08 1rei s PRO 59 CO 0.21 -2.47 1.41 0.45 0.04 0.00 0.00 177.00 176.64 1rei n SER 60 N -4.08 0.79 0.33 6.66 2.88 -1.26 -3.31 113.62 115.63 1rei n SER 60 Ca 0.08 -0.59 0.19 0.00 -1.33 0.00 0.00 58.87 57.22 1rei n SER 60 Cb 0.54 0.29 1.01 0.00 -0.75 0.00 0.00 64.21 65.30 1rei n SER 60 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1rei h ARG 61 N 0.53 0.00 -6.25 -1.46 3.08 -1.95 -3.43 114.38 104.90 1rei h ARG 61 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 1rei h ARG 61 Cb 0.51 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.52 1rei h ARG 61 CO 0.00 0.00 0.15 -0.06 -1.07 0.00 0.00 179.97 178.99 1rei s PHE 62 N -4.09 3.70 0.05 3.04 0.08 -1.21 -0.42 117.98 119.15 1rei s PHE 62 Ca -0.04 1.44 0.01 0.00 0.12 0.00 0.00 56.93 58.46 1rei s PHE 62 Cb 0.11 -2.82 -0.03 0.00 -0.57 0.00 0.00 43.02 39.70 1rei s PHE 62 CO 0.34 0.23 -0.06 -1.54 -0.10 0.00 0.00 175.22 174.09 1rei s SER 63 N 0.13 0.74 0.15 1.36 1.04 -1.12 -4.97 113.70 111.03 1rei s SER 63 Ca 0.39 -0.74 0.10 0.00 0.48 0.00 0.00 55.95 56.18 1rei s SER 63 Cb -0.20 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.97 1rei s SER 63 CO 0.22 -0.36 -0.22 -0.83 0.98 0.00 0.00 173.24 173.03 1rei s GLY 64 N -2.19 1.67 0.07 7.32 0.00 -1.26 -2.01 107.32 110.92 1rei s GLY 64 Ca -0.02 -1.50 -0.03 0.00 0.00 0.00 0.00 44.72 43.16 1rei s GLY 64 CO -0.03 -1.50 0.05 -1.35 0.00 0.00 0.00 173.10 170.26 1rei s SER 65 N -2.38 0.36 0.00 1.64 1.04 -0.75 -4.40 113.70 109.20 1rei s SER 65 Ca 0.19 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.70 1rei s SER 65 Cb -0.09 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1rei s SER 65 CO 0.09 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.27 1rei n GLY 66 N 0.03 3.63 3.24 7.32 0.00 -1.26 -0.68 105.19 117.48 1rei n GLY 66 Ca -0.13 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 1rei n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rei s SER 67 N 0.00 -0.04 1.13 1.61 1.04 -1.24 -4.92 113.70 111.27 1rei s SER 67 Ca 0.00 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1rei s SER 67 Cb 0.00 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1rei s SER 67 CO 0.00 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1rei n GLY 68 N 0.12 1.63 0.00 7.32 0.00 -0.95 -3.59 105.19 109.72 1rei n GLY 68 Ca -0.16 -0.17 0.02 0.00 0.00 0.00 0.00 46.02 45.71 1rei n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rei n THR 69 N 0.00 0.00 -3.94 2.61 -2.24 -1.26 -2.55 114.28 106.90 1rei n THR 69 Ca 0.00 -0.08 -0.35 0.00 -2.27 0.00 0.00 64.05 61.35 1rei n THR 69 Cb 0.00 0.43 -0.14 0.00 -2.10 0.00 0.00 70.33 68.52 1rei n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1rei s ASP 70 N -2.38 4.26 0.16 3.42 1.11 -1.24 -0.43 116.67 121.58 1rei s ASP 70 Ca -0.01 -0.66 0.09 0.00 0.18 0.00 0.00 52.55 52.15 1rei s ASP 70 Cb 0.02 -1.69 -0.04 0.00 1.07 0.00 0.00 42.92 42.28 1rei s ASP 70 CO 0.14 -0.08 -0.19 -0.31 1.18 0.00 0.00 175.17 175.91 1rei s TYR 71 N 1.39 1.88 0.04 4.23 1.51 -0.15 -3.69 117.35 122.57 1rei s TYR 71 Ca 0.03 -0.45 0.05 0.00 -1.01 0.00 0.00 57.07 55.69 1rei s TYR 71 Cb -0.15 -0.95 -0.02 0.00 -0.11 0.00 0.00 41.96 40.72 1rei s TYR 71 CO -0.04 0.34 -0.14 0.99 -1.11 0.00 0.00 175.55 175.59 1rei s THR 72 N -1.89 1.10 -0.08 -0.71 2.01 0.15 -0.99 115.64 115.23 1rei s THR 72 Ca 0.15 -1.05 0.01 0.00 0.31 0.00 0.00 61.69 61.12 1rei s THR 72 Cb -0.07 -1.01 0.02 0.00 0.01 0.00 0.00 72.50 71.45 1rei s THR 72 CO 0.07 -0.04 -0.11 0.12 -0.69 0.00 0.00 174.62 173.97 1rei s PHE 73 N -0.92 1.47 0.07 4.92 2.19 -0.17 -1.81 117.98 123.73 1rei s PHE 73 Ca 0.01 -0.61 0.09 0.00 0.33 0.00 0.00 56.93 56.74 1rei s PHE 73 Cb -0.08 -1.13 -0.03 0.00 -1.31 0.00 0.00 43.02 40.47 1rei s PHE 73 CO 0.01 -0.36 -0.21 0.99 1.83 0.00 0.00 175.22 177.48 1rei s THR 74 N 1.00 2.59 -0.28 0.12 2.01 -0.85 -1.58 115.64 118.65 1rei s THR 74 Ca -0.08 -1.39 0.03 0.00 0.31 0.00 0.00 61.69 60.56 1rei s THR 74 Cb -0.15 -2.11 0.07 0.00 0.01 0.00 0.00 72.50 70.33 1rei s THR 74 CO -0.00 0.25 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.49 1rei s ILE 75 N -0.97 2.04 0.12 1.82 1.01 -0.74 -2.80 121.20 121.67 1rei s ILE 75 Ca 0.15 -1.74 -0.20 0.00 0.00 0.00 0.00 60.65 58.86 1rei s ILE 75 Cb -0.10 -2.28 -0.07 0.00 0.01 0.00 0.00 42.46 40.02 1rei s ILE 75 CO 0.06 -0.21 1.75 0.77 0.00 0.00 0.00 174.94 177.31 1rei h SER 76 N 7.77 0.25 -3.36 3.58 4.64 -1.02 -2.68 113.55 122.72 1rei h SER 76 Ca -0.15 -0.03 -0.54 0.00 -0.47 0.00 0.00 61.79 60.60 1rei h SER 76 Cb 1.04 -0.06 -0.39 0.00 -0.31 0.00 0.00 62.40 62.68 1rei h SER 76 CO 0.47 0.21 -0.78 -0.55 -0.87 0.00 0.00 176.83 175.31 1rei s SER 77 N -5.42 3.01 0.44 4.97 0.15 -1.26 -4.07 113.70 111.51 1rei s SER 77 Ca -0.13 -0.81 -0.25 0.00 0.70 0.00 0.00 55.95 55.45 1rei s SER 77 Cb 0.08 -0.78 -0.08 0.00 -1.71 0.00 0.00 66.02 63.53 1rei s SER 77 CO 0.70 -0.26 1.35 -0.22 1.20 0.00 0.00 173.24 176.01 1rei s LEU 78 N 1.71 4.14 0.34 3.45 2.96 -1.02 -4.71 118.68 125.55 1rei s LEU 78 Ca -0.01 2.75 0.03 0.00 -0.22 0.00 0.00 54.13 56.68 1rei s LEU 78 Cb -0.17 -3.96 -0.05 0.00 0.50 0.00 0.00 46.19 42.52 1rei s LEU 78 CO -0.07 -1.04 0.09 -1.10 -1.32 0.00 0.00 176.35 172.92 1rei s GLN 79 N -2.39 1.71 0.53 1.98 -1.52 -1.26 -0.97 119.66 117.74 1rei s GLN 79 Ca 0.60 -1.99 0.27 0.00 -1.95 0.00 0.00 55.36 52.29 1rei s GLN 79 Cb -0.40 -0.64 1.41 0.00 -0.22 0.00 0.00 33.01 33.16 1rei s GLN 79 CO 0.51 -0.32 1.95 -1.00 -0.25 0.00 0.00 175.29 176.18 1rei h PRO 80 N 2.04 0.02 -0.52 2.91 0.13 -2.01 -2.73 132.00 131.85 1rei h PRO 80 Ca -0.38 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1rei h PRO 80 Cb 1.26 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1rei h PRO 80 CO 0.63 0.02 0.00 -0.85 -0.23 0.00 0.00 178.00 177.56 1rei n GLU 81 N -4.35 2.68 0.00 0.86 0.00 -1.26 -3.95 120.64 114.63 1rei n GLU 81 Ca 0.13 -2.32 0.15 0.00 0.00 0.00 0.00 57.16 55.11 1rei n GLU 81 Cb 0.73 -1.43 0.65 0.00 0.00 0.00 0.00 31.44 31.40 1rei n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1rei n ASP 82 N 1.14 0.89 -4.65 -1.84 10.43 -1.03 -4.91 116.55 116.58 1rei n ASP 82 Ca 0.18 -1.20 -0.43 0.00 2.57 0.00 0.00 54.79 55.92 1rei n ASP 82 Cb 0.53 -0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.46 1rei n ASP 82 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1rei s ILE 83 N -2.09 3.73 -0.06 0.53 1.01 -1.25 -4.88 121.20 118.19 1rei s ILE 83 Ca 0.39 0.87 -0.30 0.00 0.00 0.00 0.00 60.65 61.61 1rei s ILE 83 Cb 0.21 -3.61 0.11 0.00 0.01 0.00 0.00 42.46 39.19 1rei s ILE 83 CO 0.37 -0.12 1.35 0.00 0.00 0.00 0.00 174.94 176.54 1rei s ALA 84 N 4.21 -2.59 -0.03 9.38 0.00 -1.25 -4.76 121.76 126.73 1rei s ALA 84 Ca 0.70 0.35 0.02 0.00 0.00 0.00 0.00 51.96 53.02 1rei s ALA 84 Cb -0.29 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.52 1rei s ALA 84 CO 0.27 -1.13 -0.05 0.99 0.00 0.00 0.00 175.76 175.83 1rei s THR 85 N -2.06 3.83 -0.02 0.00 2.01 -0.39 -1.68 115.64 117.33 1rei s THR 85 Ca 0.26 -0.58 0.07 0.00 0.31 0.00 0.00 61.69 61.74 1rei s THR 85 Cb 0.02 -2.63 -0.02 0.00 0.01 0.00 0.00 72.50 69.87 1rei s THR 85 CO -0.03 0.49 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.85 1rei s TYR 86 N -0.94 2.46 -0.01 4.92 2.02 -0.20 -0.83 117.35 124.77 1rei s TYR 86 Ca 0.15 -0.34 0.04 0.00 -0.37 0.00 0.00 57.07 56.56 1rei s TYR 86 Cb -0.11 -1.53 -0.01 0.00 -0.40 0.00 0.00 41.96 39.91 1rei s TYR 86 CO 0.05 0.06 -0.14 0.71 -1.57 0.00 0.00 175.55 174.66 1rei s TYR 87 N -0.68 1.24 0.05 2.71 2.02 -0.22 -1.05 117.35 121.42 1rei s TYR 87 Ca 0.11 -0.24 0.02 0.00 -0.37 0.00 0.00 57.07 56.59 1rei s TYR 87 Cb -0.10 -0.80 -0.04 0.00 -0.40 0.00 0.00 41.96 40.62 1rei s TYR 87 CO 0.00 -0.02 0.06 0.00 -1.57 0.00 0.00 175.55 174.02 1rei s GLN 89 N -2.12 -0.02 0.18 0.00 -2.07 -0.14 -0.14 119.66 115.34 1rei s GLN 89 Ca 0.26 0.17 -0.12 0.00 -1.82 0.00 0.00 55.36 53.85 1rei s GLN 89 Cb -0.12 -0.20 -0.07 0.00 -1.09 0.00 0.00 33.01 31.53 1rei s GLN 89 CO 0.18 -0.14 0.54 1.14 -1.32 0.00 0.00 175.29 175.70 1rei s GLN 90 N 0.88 3.91 -0.28 9.60 1.03 -1.08 -0.18 119.66 133.55 1rei s GLN 90 Ca -0.07 0.40 0.19 0.00 0.04 0.00 0.00 55.36 55.92 1rei s GLN 90 Cb -0.10 -2.82 0.49 0.00 0.03 0.00 0.00 33.01 30.61 1rei s GLN 90 CO -0.03 0.42 1.11 2.48 -2.54 0.00 0.00 175.29 176.73 1rei n TYR 91 N 0.45 1.57 -0.05 9.60 4.11 -1.06 -3.63 117.16 128.16 1rei n TYR 91 Ca -0.03 -2.24 -0.17 0.00 -0.00 0.00 0.00 57.90 55.45 1rei n TYR 91 Cb 0.52 -0.26 -0.13 0.00 -0.00 0.00 0.00 39.34 39.47 1rei n TYR 91 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.86 177.23 1rei h GLN 92 N 2.57 0.07 -4.87 -3.48 -0.00 -1.89 -3.48 115.11 104.03 1rei h GLN 92 Ca -0.03 -0.12 -0.29 0.00 -0.00 0.00 0.00 58.65 58.21 1rei h GLN 92 Cb 1.30 0.04 -0.17 0.00 0.00 0.00 0.00 27.48 28.65 1rei h GLN 92 CO 0.33 1.06 -0.72 -1.54 0.00 0.00 0.00 178.83 177.96 1rei s SER 93 N -6.56 1.37 0.35 -0.69 1.04 -1.26 -5.14 113.70 102.82 1rei s SER 93 Ca -0.21 -0.86 -0.10 0.00 0.48 0.00 0.00 55.95 55.27 1rei s SER 93 Cb 0.00 0.03 -0.07 0.00 0.10 0.00 0.00 66.02 66.09 1rei s SER 93 CO 0.70 -0.31 0.70 -0.76 0.98 0.00 0.00 173.24 174.54 1rei s LEU 94 N -2.59 3.94 0.59 2.42 1.43 -1.26 -3.81 118.68 119.40 1rei s LEU 94 Ca 0.07 1.04 -0.19 0.00 -1.03 0.00 0.00 54.13 54.02 1rei s LEU 94 Cb -0.01 -3.89 -0.05 0.00 0.03 0.00 0.00 46.19 42.27 1rei s LEU 94 CO -0.01 -0.30 1.06 -0.81 0.23 0.00 0.00 176.35 176.52 1rei n PRO 95 N -1.01 1.06 -2.05 1.29 -0.04 -1.26 -4.95 135.00 128.04 1rei n PRO 95 Ca 0.01 0.40 -0.43 0.00 -0.04 0.00 0.00 63.50 63.45 1rei n PRO 95 Cb 0.54 -2.26 -0.03 0.00 -0.04 0.00 0.00 33.50 31.71 1rei n PRO 95 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1rei s TYR 96 N -1.45 2.00 0.09 0.54 2.02 -1.25 -4.66 117.35 114.64 1rei s TYR 96 Ca 0.75 0.46 0.06 0.00 -0.37 0.00 0.00 57.07 57.98 1rei s TYR 96 Cb -0.42 -3.98 -0.04 0.00 -0.40 0.00 0.00 41.96 37.12 1rei s TYR 96 CO 0.47 -3.22 -0.08 0.95 -1.57 0.00 0.00 175.55 172.10 1rei s THR 97 N 5.22 3.48 0.21 -0.71 -4.23 -1.24 -4.99 115.64 113.39 1rei s THR 97 Ca 0.74 -1.19 0.05 0.00 -1.18 0.00 0.00 61.69 60.11 1rei s THR 97 Cb -0.27 -2.62 -0.03 0.00 1.34 0.00 0.00 72.50 70.91 1rei s THR 97 CO 0.30 0.14 0.31 -0.36 -0.54 0.00 0.00 174.62 174.47 1rei s PHE 98 N -1.21 3.41 0.92 3.99 0.40 -1.26 -2.62 117.98 121.61 1rei s PHE 98 Ca 0.22 0.01 -0.12 0.00 -0.60 0.00 0.00 56.93 56.43 1rei s PHE 98 Cb -0.11 -1.57 0.14 0.00 0.51 0.00 0.00 43.02 41.99 1rei s PHE 98 CO 0.14 0.47 1.12 0.20 0.70 0.00 0.00 175.22 177.85 1rei s GLY 99 N -3.71 1.58 0.07 4.36 0.00 0.80 -4.48 107.32 105.93 1rei s GLY 99 Ca 0.34 -0.41 0.20 0.00 0.00 0.00 0.00 44.72 44.85 1rei s GLY 99 CO 0.28 0.15 1.62 0.61 0.00 0.00 0.00 173.10 175.76 1rei n GLN 100 N -3.86 0.06 0.00 2.90 10.64 -1.26 -4.70 117.38 121.16 1rei n GLN 100 Ca 0.06 0.24 0.00 0.00 -1.83 0.00 0.00 57.00 55.47 1rei n GLN 100 Cb 0.58 -1.59 0.00 0.00 -0.86 0.00 0.00 30.24 28.37 1rei n GLN 100 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1rei n GLY 101 N 0.36 2.61 3.12 2.61 0.00 -1.26 -5.01 105.19 107.62 1rei n GLY 101 Ca 0.04 -1.48 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 1rei n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rei s THR 102 N -0.60 3.12 -0.12 2.61 2.01 -0.22 -4.40 115.64 118.03 1rei s THR 102 Ca 0.00 -1.94 -0.29 0.00 0.31 0.00 0.00 61.69 59.77 1rei s THR 102 Cb 0.00 -3.08 -0.06 0.00 0.01 0.00 0.00 72.50 69.37 1rei s THR 102 CO 0.00 -0.55 2.11 -0.54 -0.69 0.00 0.00 174.62 174.94 1rei s LYS 103 N 1.14 3.52 -0.18 4.92 1.02 -1.11 -1.04 119.74 128.02 1rei s LYS 103 Ca 0.06 2.23 -0.09 0.00 0.02 0.00 0.00 55.97 58.19 1rei s LYS 103 Cb -0.22 -4.29 -0.05 0.00 -0.52 0.00 0.00 37.83 32.76 1rei s LYS 103 CO -0.04 -1.66 0.12 -1.17 -0.92 0.00 0.00 175.35 171.69 1rei s LEU 104 N 6.79 4.21 0.19 3.17 0.20 -0.68 -2.04 118.68 130.53 1rei s LEU 104 Ca 0.95 0.28 0.08 0.00 0.69 0.00 0.00 54.13 56.13 1rei s LEU 104 Cb -0.36 -2.07 -0.05 0.00 -0.43 0.00 0.00 46.19 43.28 1rei s LEU 104 CO 0.37 0.24 -0.15 -1.10 -0.29 0.00 0.00 176.35 175.43 1rei s GLN 105 N -0.03 1.29 -0.12 1.98 -1.52 -0.60 -3.81 119.66 116.85 1rei s GLN 105 Ca 0.09 -1.53 -0.02 0.00 -1.95 0.00 0.00 55.36 51.95 1rei s GLN 105 Cb -0.11 -1.12 -0.03 0.00 -0.22 0.00 0.00 33.01 31.52 1rei s GLN 105 CO -0.00 0.19 -0.03 0.42 -0.25 0.00 0.00 175.29 175.62 1rei s ILE 106 N -2.79 4.01 -2.78 1.08 1.09 -1.26 -2.66 121.20 117.88 1rei s ILE 106 Ca 0.20 -0.34 0.26 0.00 -1.10 0.00 0.00 60.65 59.67 1rei s ILE 106 Cb -0.02 -2.71 0.34 0.00 -1.06 0.00 0.00 42.46 39.01 1rei s ILE 106 CO 0.06 0.54 1.47 0.41 -0.10 0.00 0.00 174.94 177.33