#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 5.10 0.03 2.12 1.01 -1.26 -5.00 121.20 123.20 1rei s ILE 2 Ca 0.00 -0.16 -0.30 0.00 0.00 0.00 0.00 60.65 60.19 1rei s ILE 2 Cb 0.00 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 1rei s ILE 2 CO 0.00 -0.30 1.04 -1.10 0.00 0.00 0.00 174.94 174.57 1rei s GLN 3 N 2.13 4.54 -0.16 2.79 -0.21 -1.26 -4.70 119.66 122.79 1rei s GLN 3 Ca 0.13 1.52 -0.02 0.00 0.02 0.00 0.00 55.36 57.00 1rei s GLN 3 Cb -0.17 -3.42 -0.02 0.00 1.00 0.00 0.00 33.01 30.40 1rei s GLN 3 CO 0.13 -0.08 -0.07 -1.64 -2.12 0.00 0.00 175.29 171.51 1rei s MET 4 N 0.90 3.53 -0.14 2.91 -1.94 -1.26 -2.36 119.30 120.94 1rei s MET 4 Ca 0.53 -0.59 -0.05 0.00 -1.71 0.00 0.00 55.69 53.87 1rei s MET 4 Cb -0.24 -2.83 -0.04 0.00 2.01 0.00 0.00 34.83 33.74 1rei s MET 4 CO 0.29 0.16 0.03 0.95 -0.01 0.00 0.00 175.02 176.44 1rei s THR 5 N 0.53 4.52 -0.07 2.05 -4.23 -0.72 -4.34 115.64 113.39 1rei s THR 5 Ca -0.05 -0.14 0.04 0.00 -1.18 0.00 0.00 61.69 60.36 1rei s THR 5 Cb -0.15 -2.98 -0.01 0.00 1.34 0.00 0.00 72.50 70.70 1rei s THR 5 CO 0.03 0.53 -0.21 -1.58 -0.54 0.00 0.00 174.62 172.85 1rei s GLN 6 N -0.14 2.74 0.04 3.99 0.74 -1.26 -1.66 119.66 124.10 1rei s GLN 6 Ca 0.06 -0.83 0.02 0.00 0.05 0.00 0.00 55.36 54.66 1rei s GLN 6 Cb -0.12 -2.30 -0.02 0.00 1.10 0.00 0.00 33.01 31.67 1rei s GLN 6 CO 0.02 0.38 -0.07 0.45 -0.55 0.00 0.00 175.29 175.51 1rei s SER 7 N -0.13 0.82 1.20 6.67 0.15 -0.55 -4.27 113.70 117.60 1rei s SER 7 Ca -0.04 -0.49 -0.12 0.00 0.70 0.00 0.00 55.95 56.00 1rei s SER 7 Cb -0.14 0.02 0.18 0.00 -1.71 0.00 0.00 66.02 64.37 1rei s SER 7 CO 0.04 -0.17 0.50 -0.81 1.20 0.00 0.00 173.24 173.99 1rei n PRO 8 N 1.65 -2.90 -0.00 5.44 -0.04 -1.26 -0.22 135.00 137.66 1rei n PRO 8 Ca -0.22 -0.81 0.06 0.00 -0.04 0.00 0.00 63.50 62.49 1rei n PRO 8 Cb 0.55 -0.92 -0.09 0.00 -0.04 0.00 0.00 33.50 33.01 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 -4.25 1.27 -3.71 3.54 3.41 -1.26 -4.26 113.62 108.37 1rei n SER 9 Ca 0.07 -0.42 -0.14 0.00 -0.26 0.00 0.00 58.87 58.13 1rei n SER 9 Cb 0.31 1.29 -0.08 0.00 -0.26 0.00 0.00 64.21 65.46 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 -2.83 -0.34 -0.18 4.04 0.15 -1.26 -2.35 113.70 110.94 1rei s SER 10 Ca 0.00 0.37 -0.13 0.00 0.70 0.00 0.00 55.95 56.89 1rei s SER 10 Cb 0.09 0.47 0.05 0.00 -1.71 0.00 0.00 66.02 64.93 1rei s SER 10 CO 0.53 -0.42 0.46 -0.22 1.20 0.00 0.00 173.24 174.79 1rei s LEU 11 N -0.99 -0.00 -0.04 3.45 1.98 -0.55 -4.91 118.68 117.62 1rei s LEU 11 Ca -0.10 0.96 -0.01 0.00 -2.89 0.00 0.00 54.13 52.08 1rei s LEU 11 Cb -0.04 1.54 0.03 0.00 0.66 0.00 0.00 46.19 48.38 1rei s LEU 11 CO 0.05 -0.18 0.06 -0.55 -1.89 0.00 0.00 176.35 173.84 1rei s SER 12 N 0.88 0.49 0.25 3.68 0.15 -1.26 -1.52 113.70 116.36 1rei s SER 12 Ca -0.05 0.11 -0.17 0.00 0.70 0.00 0.00 55.95 56.54 1rei s SER 12 Cb -0.06 -0.04 0.01 0.00 -1.71 0.00 0.00 66.02 64.22 1rei s SER 12 CO -0.07 -0.18 0.57 0.00 1.20 0.00 0.00 173.24 174.76 1rei s ALA 13 N 1.57 -0.73 0.28 5.45 0.00 -1.03 -4.89 121.76 122.41 1rei s ALA 13 Ca -0.03 -0.55 0.10 0.00 0.00 0.00 0.00 51.96 51.48 1rei s ALA 13 Cb -0.12 0.95 -0.05 0.00 0.00 0.00 0.00 23.12 23.90 1rei s ALA 13 CO -0.04 -0.91 -0.02 -1.12 0.00 0.00 0.00 175.76 173.67 1rei s SER 14 N -2.95 4.37 0.26 0.00 0.01 -1.26 -3.05 113.70 111.08 1rei s SER 14 Ca 0.16 -0.75 -0.30 0.00 1.31 0.00 0.00 55.95 56.37 1rei s SER 14 Cb -0.03 -0.72 -0.10 0.00 0.21 0.00 0.00 66.02 65.39 1rei s SER 14 CO 0.06 -0.04 1.29 0.54 0.41 0.00 0.00 173.24 175.50 1rei s VAL 15 N -2.38 3.03 0.00 3.43 0.11 -1.26 -1.80 120.40 121.52 1rei s VAL 15 Ca 0.32 0.93 0.00 0.00 -2.93 0.00 0.00 61.98 60.30 1rei s VAL 15 Cb -0.05 -3.59 0.00 0.00 -1.53 0.00 0.00 36.38 31.20 1rei s VAL 15 CO 0.19 0.18 0.00 0.61 -3.33 0.00 0.00 175.10 172.75 1rei n GLY 16 N 1.62 2.88 3.75 6.54 0.00 -0.17 -4.92 105.19 114.89 1rei n GLY 16 Ca 0.03 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 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 0.58 5.22 0.11 1.61 -0.00 -0.75 -3.92 116.67 119.52 1rei s ASP 17 Ca 0.00 2.55 -0.30 0.00 -0.00 0.00 0.00 52.55 54.80 1rei s ASP 17 Cb 0.00 -2.62 -0.07 0.00 -0.00 0.00 0.00 42.92 40.24 1rei s ASP 17 CO 0.00 -1.59 1.22 -0.60 -0.00 0.00 0.00 175.17 174.21 1rei s ARG 18 N -3.12 4.44 -0.00 8.23 3.52 -1.24 -2.26 118.95 128.52 1rei s ARG 18 Ca 0.75 1.84 0.06 0.00 -0.13 0.00 0.00 55.73 58.25 1rei s ARG 18 Cb -0.35 -3.30 -0.02 0.00 -1.56 0.00 0.00 34.95 29.72 1rei s ARG 18 CO 0.40 -0.22 -0.20 0.08 -0.81 0.00 0.00 175.30 174.54 1rei s VAL 19 N 0.71 1.60 -0.05 7.11 1.01 -0.72 -5.01 120.40 125.05 1rei s VAL 19 Ca 0.58 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1rei s VAL 19 Cb -0.31 -1.34 0.03 0.00 0.00 0.00 0.00 36.38 34.75 1rei s VAL 19 CO 0.32 0.41 0.02 0.28 0.00 0.00 0.00 175.10 176.13 1rei s THR 20 N -0.53 0.12 0.02 3.92 -1.32 -1.26 -1.37 115.64 115.22 1rei s THR 20 Ca 0.08 0.23 0.08 0.00 -1.21 0.00 0.00 61.69 60.88 1rei s THR 20 Cb -0.08 -0.30 -0.03 0.00 -1.51 0.00 0.00 72.50 70.58 1rei s THR 20 CO -0.00 0.19 -0.25 0.27 -2.21 0.00 0.00 174.62 172.62 1rei s ILE 21 N 1.77 2.22 0.40 5.08 -4.36 -0.57 -4.76 121.20 120.97 1rei s ILE 21 Ca 0.01 -1.25 0.08 0.00 -0.26 0.00 0.00 60.65 59.22 1rei s ILE 21 Cb -0.13 -1.84 -0.06 0.00 1.25 0.00 0.00 42.46 41.68 1rei s ILE 21 CO -0.03 0.44 0.10 0.42 0.24 0.00 0.00 174.94 176.10 1rei s THR 22 N -0.75 2.30 -0.10 8.37 -4.23 0.69 -0.68 115.64 121.23 1rei s THR 22 Ca 0.11 -1.84 -0.04 0.00 -1.18 0.00 0.00 61.69 58.74 1rei s THR 22 Cb -0.10 -2.95 0.05 0.00 1.34 0.00 0.00 72.50 70.84 1rei s THR 22 CO 0.01 -0.05 0.22 0.00 -0.54 0.00 0.00 174.62 174.26 1rei s GLN 24 N 2.02 3.18 0.21 0.00 -0.21 -0.66 -0.68 119.66 123.52 1rei s GLN 24 Ca -0.01 -0.78 -0.07 0.00 0.02 0.00 0.00 55.36 54.52 1rei s GLN 24 Cb -0.12 -2.55 -0.06 0.00 1.00 0.00 0.00 33.01 31.28 1rei s GLN 24 CO -0.07 0.05 0.49 0.00 -2.12 0.00 0.00 175.29 173.64 1rei s ALA 25 N 0.70 3.66 -0.68 6.09 0.00 -0.01 -1.75 121.76 129.78 1rei s ALA 25 Ca -0.08 -0.45 0.25 0.00 0.00 0.00 0.00 51.96 51.69 1rei s ALA 25 Cb -0.16 -2.29 0.57 0.00 0.00 0.00 0.00 23.12 21.24 1rei s ALA 25 CO 0.01 0.50 1.55 0.66 0.00 0.00 0.00 175.76 178.49 1rei h SER 26 N 2.43 0.00 -2.26 0.00 4.64 -1.79 -3.45 113.55 113.12 1rei h SER 26 Ca -0.47 -0.10 -0.45 0.00 -0.47 0.00 0.00 61.79 60.30 1rei h SER 26 Cb 1.17 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1rei h SER 26 CO 0.70 0.05 -0.25 -1.10 -0.87 0.00 0.00 176.83 175.36 1rei s GLN 27 N -3.14 3.15 -0.05 4.77 -0.21 -1.26 -5.04 119.66 117.88 1rei s GLN 27 Ca 0.08 -0.75 -0.30 0.00 0.02 0.00 0.00 55.36 54.42 1rei s GLN 27 Cb 0.13 -2.72 -0.02 0.00 1.00 0.00 0.00 33.01 31.39 1rei s GLN 27 CO 0.66 -0.02 1.06 0.34 -2.12 0.00 0.00 175.29 175.20 1rei s ASP 28 N -4.16 7.22 -0.04 5.90 -1.08 -1.26 -4.77 116.67 118.48 1rei s ASP 28 Ca 0.45 1.66 0.11 0.00 -0.52 0.00 0.00 52.55 54.25 1rei s ASP 28 Cb -0.10 -2.56 0.31 0.00 -1.46 0.00 0.00 42.92 39.11 1rei s ASP 28 CO 0.34 -0.43 1.25 2.30 0.52 0.00 0.00 175.17 179.15 1rei n ILE 29 N 4.35 1.32 0.00 4.11 -5.35 -0.87 -4.98 119.36 117.94 1rei n ILE 29 Ca 0.09 -1.24 0.00 0.00 -0.27 0.00 0.00 62.75 61.32 1rei n ILE 29 Cb 0.49 0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.69 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 0.07 0.00 -1.75 7.28 2.08 -1.22 -0.96 119.36 124.87 1rei n ILE 30 Ca 0.12 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.43 1rei n ILE 30 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.40 1rei n ILE 30 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1rei n LYS 31 N 0.00 0.00 -3.01 0.38 2.85 -1.26 -3.02 118.16 114.09 1rei n LYS 31 Ca 0.00 0.00 -0.44 0.00 -1.05 0.00 0.00 58.31 56.82 1rei n LYS 31 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1rei n LYS 31 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1rei n TYR 32 N 0.00 4.10 -3.72 5.58 0.53 -0.13 -3.36 117.16 120.16 1rei n TYR 32 Ca 0.00 -3.28 -0.24 0.00 -1.02 0.00 0.00 57.90 53.35 1rei n TYR 32 Cb 0.39 -1.74 -0.17 0.00 -1.03 0.00 0.00 39.34 36.78 1rei n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.02 0.00 0.00 176.86 174.67 1rei s LEU 33 N -0.84 0.67 0.38 7.72 2.96 -1.26 -2.33 118.68 125.97 1rei s LEU 33 Ca 0.35 -0.36 -0.13 0.00 -0.22 0.00 0.00 54.13 53.76 1rei s LEU 33 Cb -0.02 -0.42 -0.08 0.00 0.50 0.00 0.00 46.19 46.18 1rei s LEU 33 CO -0.00 -0.26 0.78 0.20 -1.32 0.00 0.00 176.35 175.75 1rei s ASN 34 N 1.99 6.65 -0.13 3.68 0.01 0.01 0.23 114.94 127.38 1rei s ASN 34 Ca 0.03 1.25 0.01 0.00 -0.71 0.00 0.00 52.86 53.43 1rei s ASN 34 Cb -0.14 -2.37 -0.01 0.00 0.41 0.00 0.00 41.25 39.14 1rei s ASN 34 CO -0.06 -0.33 -0.15 0.26 -1.51 0.00 0.00 177.10 175.30 1rei s TRP 35 N -2.22 2.77 0.07 2.20 0.52 -0.33 -1.02 118.94 120.92 1rei s TRP 35 Ca 0.53 -0.82 0.06 0.00 0.02 0.00 0.00 56.10 55.89 1rei s TRP 35 Cb -0.10 -1.84 -0.04 0.00 -1.15 0.00 0.00 33.47 30.34 1rei s TRP 35 CO 0.25 -0.32 -0.08 0.71 0.02 0.00 0.00 176.95 177.52 1rei s TYR 36 N 0.50 2.80 -0.11 -1.98 1.51 0.25 -0.51 117.35 119.81 1rei s TYR 36 Ca -0.10 -0.11 0.01 0.00 -1.01 0.00 0.00 57.07 55.85 1rei s TYR 36 Cb -0.16 -1.50 -0.02 0.00 -0.11 0.00 0.00 41.96 40.17 1rei s TYR 36 CO 0.04 0.40 -0.13 -1.14 -1.11 0.00 0.00 175.55 173.62 1rei s GLN 37 N -1.93 3.22 -0.25 -0.62 0.74 -0.25 -0.21 119.66 120.35 1rei s GLN 37 Ca 0.20 -0.69 0.02 0.00 0.05 0.00 0.00 55.36 54.95 1rei s GLN 37 Cb -0.11 -2.58 0.05 0.00 1.10 0.00 0.00 33.01 31.47 1rei s GLN 37 CO 0.12 0.29 -0.11 -1.14 -0.55 0.00 0.00 175.29 173.90 1rei s GLN 38 N 0.14 2.38 0.51 1.67 0.74 0.93 -0.46 119.66 125.56 1rei s GLN 38 Ca -0.07 -1.26 -0.17 0.00 0.05 0.00 0.00 55.36 53.91 1rei s GLN 38 Cb -0.15 -2.88 -0.08 0.00 1.10 0.00 0.00 33.01 31.00 1rei s GLN 38 CO 0.05 -0.52 0.99 0.99 -0.55 0.00 0.00 175.29 176.24 1rei s THR 39 N 1.15 4.43 -0.00 -0.34 2.01 -1.26 -1.78 115.64 119.84 1rei s THR 39 Ca -0.07 1.23 -0.31 0.00 0.31 0.00 0.00 61.69 62.85 1rei s THR 39 Cb -0.19 -3.66 -0.10 0.00 0.01 0.00 0.00 72.50 68.56 1rei s THR 39 CO -0.06 -0.60 1.95 -0.81 -0.69 0.00 0.00 174.62 174.41 1rei n PRO 40 N -1.45 2.66 0.00 4.92 -0.04 -1.26 -2.22 135.00 137.60 1rei n PRO 40 Ca 0.07 0.98 0.00 0.00 -0.04 0.00 0.00 63.50 64.51 1rei n PRO 40 Cb 0.54 -2.90 0.00 0.00 -0.04 0.00 0.00 33.50 31.10 1rei n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rei n GLY 41 N 4.51 2.50 2.50 0.55 0.00 -1.26 -5.04 105.19 108.95 1rei n GLY 41 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.00 0.76 -3.34 1.61 4.76 -0.94 -5.11 118.16 113.89 1rei n LYS 42 Ca 0.00 -2.01 -0.22 0.00 -2.87 0.00 0.00 58.31 53.22 1rei n LYS 42 Cb 0.00 -0.14 -0.00 0.00 -1.84 0.00 0.00 35.03 33.05 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 -2.45 3.91 0.45 7.82 0.00 -1.26 -4.71 121.76 125.53 1rei s ALA 43 Ca 0.38 -1.17 -0.25 0.00 0.00 0.00 0.00 51.96 50.92 1rei s ALA 43 Cb -0.03 -1.94 -0.09 0.00 0.00 0.00 0.00 23.12 21.06 1rei s ALA 43 CO 0.24 -0.12 1.32 -0.35 0.00 0.00 0.00 175.76 176.85 1rei n PRO 44 N -1.80 1.96 -4.86 0.00 -0.04 -1.26 -4.53 135.00 124.47 1rei n PRO 44 Ca -0.02 0.70 -0.32 0.00 -0.04 0.00 0.00 63.50 63.82 1rei n PRO 44 Cb 0.57 -2.47 -0.16 0.00 -0.04 0.00 0.00 33.50 31.40 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 -2.38 3.11 -0.03 0.54 2.20 0.40 -4.96 119.74 118.62 1rei s LYS 45 Ca 0.63 -0.83 -0.30 0.00 -0.36 0.00 0.00 55.97 55.11 1rei s LYS 45 Cb -0.48 -2.44 -0.05 0.00 -1.51 0.00 0.00 37.83 33.36 1rei s LYS 45 CO 0.56 0.09 1.36 -1.17 -0.36 0.00 0.00 175.35 175.83 1rei s LEU 46 N 0.59 4.30 -0.24 5.43 2.96 -1.26 -1.09 118.68 129.36 1rei s LEU 46 Ca -0.12 2.02 0.02 0.00 -0.22 0.00 0.00 54.13 55.84 1rei s LEU 46 Cb -0.16 -3.56 -0.16 0.00 0.50 0.00 0.00 46.19 42.81 1rei s LEU 46 CO 0.03 -0.70 -0.21 0.18 -1.32 0.00 0.00 176.35 174.33 1rei n LEU 47 N 5.51 2.93 -3.68 -0.68 4.77 0.33 -4.83 117.00 121.35 1rei n LEU 47 Ca 0.13 -0.13 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1rei n LEU 47 Cb 0.44 -0.82 -0.11 0.00 -2.33 0.00 0.00 43.42 40.60 1rei n LEU 47 CO 0.58 0.90 0.02 -0.63 -1.33 0.00 0.00 177.39 176.93 1rei s ILE 48 N -2.48 -0.22 0.14 -0.08 1.01 -1.19 -2.66 121.20 115.71 1rei s ILE 48 Ca -0.32 0.13 0.08 0.00 0.00 0.00 0.00 60.65 60.54 1rei s ILE 48 Cb 0.08 -0.60 -0.04 0.00 0.01 0.00 0.00 42.46 41.91 1rei s ILE 48 CO 0.56 0.05 -0.08 -0.47 0.00 0.00 0.00 174.94 175.00 1rei s TYR 49 N 1.80 2.72 -1.42 3.97 6.14 -0.67 -1.18 117.35 128.70 1rei s TYR 49 Ca -0.07 -0.17 -0.14 0.00 0.64 0.00 0.00 57.07 57.33 1rei s TYR 49 Cb -0.10 -1.38 0.02 0.00 0.42 0.00 0.00 41.96 40.92 1rei s TYR 49 CO -0.12 0.47 0.27 0.39 0.64 0.00 0.00 175.55 177.19 1rei n GLU 50 N 0.38 -0.71 0.00 4.97 1.02 -1.22 -0.95 120.64 124.12 1rei n GLU 50 Ca -0.12 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1rei n GLU 50 Cb 0.54 -3.18 0.00 0.00 -0.02 0.00 0.00 31.44 28.78 1rei n GLU 50 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rei n ALA 51 N -4.78 0.00 0.16 0.62 0.00 0.14 -4.25 120.51 112.40 1rei n ALA 51 Ca -0.25 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.25 1rei n ALA 51 Cb 0.65 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.02 1rei n ALA 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1rei n SER 52 N 1.02 1.86 -4.42 0.00 7.64 -1.20 -3.54 113.62 114.98 1rei n SER 52 Ca 0.00 -0.24 -0.44 0.00 1.01 0.00 0.00 58.87 59.20 1rei n SER 52 Cb 0.00 1.33 -0.04 0.00 -1.01 0.00 0.00 64.21 64.50 1rei n SER 52 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1rei s ASN 53 N -2.84 6.28 0.50 6.43 -0.87 -0.13 -4.67 114.94 119.64 1rei s ASN 53 Ca -0.01 -1.39 -0.22 0.00 -1.57 0.00 0.00 52.86 49.66 1rei s ASN 53 Cb 0.07 -2.37 -0.06 0.00 -0.02 0.00 0.00 41.25 38.87 1rei s ASN 53 CO 0.44 -1.23 1.24 -0.22 -2.57 0.00 0.00 177.10 174.76 1rei s LEU 54 N 3.20 3.93 0.41 0.60 2.96 -1.26 -1.68 118.68 126.85 1rei s LEU 54 Ca 0.20 2.47 0.08 0.00 -0.22 0.00 0.00 54.13 56.66 1rei s LEU 54 Cb -0.17 -4.28 -0.01 0.00 0.50 0.00 0.00 46.19 42.23 1rei s LEU 54 CO 0.05 -1.19 0.46 -1.58 -1.32 0.00 0.00 176.35 172.76 1rei s GLN 55 N -2.81 2.67 0.23 1.98 2.00 -1.09 -4.93 119.66 117.71 1rei s GLN 55 Ca 0.67 -1.39 -0.30 0.00 -2.00 0.00 0.00 55.36 52.34 1rei s GLN 55 Cb -0.33 -2.55 -0.09 0.00 0.80 0.00 0.00 33.01 30.85 1rei s GLN 55 CO 0.39 -0.21 1.07 0.00 -0.50 0.00 0.00 175.29 176.04 1rei s ALA 56 N -2.41 3.38 0.00 1.58 0.00 -1.26 -3.46 121.76 119.58 1rei s ALA 56 Ca 0.51 0.81 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1rei s ALA 56 Cb -0.06 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1rei s ALA 56 CO 0.30 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.35 1rei n GLY 57 N 1.61 3.23 3.78 0.00 0.00 -1.26 -5.04 105.19 107.51 1rei n GLY 57 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.17 4.39 0.56 1.61 1.01 -1.23 -4.99 120.40 119.58 1rei s VAL 58 Ca 0.00 1.68 -0.20 0.00 0.00 0.00 0.00 61.98 63.46 1rei s VAL 58 Cb 0.00 -4.13 -0.06 0.00 0.00 0.00 0.00 36.38 32.19 1rei s VAL 58 CO 0.00 0.53 1.02 -0.81 0.00 0.00 0.00 175.10 175.84 1rei n PRO 59 N 1.60 1.10 0.00 2.72 -0.04 -1.26 -4.87 135.00 134.25 1rei n PRO 59 Ca -0.06 0.41 0.14 0.00 -0.04 0.00 0.00 63.50 63.95 1rei n PRO 59 Cb 0.49 -2.20 0.59 0.00 -0.04 0.00 0.00 33.50 32.34 1rei n PRO 59 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1rei n SER 60 N -0.52 0.18 0.09 3.54 3.41 -1.26 -2.96 113.62 116.11 1rei n SER 60 Ca 0.12 0.03 0.04 0.00 -0.26 0.00 0.00 58.87 58.80 1rei n SER 60 Cb 0.45 -0.25 0.45 0.00 -0.26 0.00 0.00 64.21 64.61 1rei n SER 60 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1rei h ARG 61 N 0.12 0.33 -6.46 4.33 3.08 -1.95 -3.43 114.38 110.39 1rei h ARG 61 Ca 0.00 -0.04 -0.54 0.00 0.07 0.00 0.00 59.98 59.48 1rei h ARG 61 Cb 0.43 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.43 1rei h ARG 61 CO 0.00 0.30 0.83 -0.06 -1.07 0.00 0.00 179.97 179.97 1rei s PHE 62 N -5.13 2.91 0.15 3.04 0.08 -1.15 -1.15 117.98 116.73 1rei s PHE 62 Ca -0.07 0.75 0.04 0.00 0.12 0.00 0.00 56.93 57.77 1rei s PHE 62 Cb 0.17 -3.75 -0.05 0.00 -0.57 0.00 0.00 43.02 38.82 1rei s PHE 62 CO 0.72 -2.79 -0.07 -1.12 -0.10 0.00 0.00 175.22 171.86 1rei s SER 63 N 1.68 1.63 -0.04 1.36 0.01 -0.26 -5.00 113.70 113.10 1rei s SER 63 Ca 0.67 -1.06 -0.03 0.00 1.31 0.00 0.00 55.95 56.84 1rei s SER 63 Cb -0.36 0.02 0.02 0.00 0.21 0.00 0.00 66.02 65.91 1rei s SER 63 CO 0.29 -0.40 0.09 -0.83 0.41 0.00 0.00 173.24 172.80 1rei s GLY 64 N -3.17 -0.05 0.33 3.44 0.00 -1.26 -0.85 107.32 105.76 1rei s GLY 64 Ca 0.18 0.33 0.00 0.00 0.00 0.00 0.00 44.72 45.24 1rei s GLY 64 CO 0.01 0.39 0.40 -1.35 0.00 0.00 0.00 173.10 172.55 1rei s SER 65 N 0.33 1.07 0.00 1.64 1.04 -0.92 -4.16 113.70 112.69 1rei s SER 65 Ca -0.02 -1.55 0.00 0.00 0.48 0.00 0.00 55.95 54.86 1rei s SER 65 Cb -0.03 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1rei s SER 65 CO -0.01 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.62 1rei n GLY 66 N -0.56 4.46 3.02 7.32 0.00 -1.26 -1.44 105.19 116.72 1rei n GLY 66 Ca 0.03 -0.75 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 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 0.10 0.29 1.61 1.04 -1.24 -4.92 113.70 110.57 1rei s SER 67 Ca 0.00 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.17 1rei s SER 67 Cb 0.00 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1rei s SER 67 CO 0.00 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.56 1rei n GLY 68 N 1.85 1.84 0.00 7.32 0.00 -1.17 -3.31 105.19 111.72 1rei n GLY 68 Ca -0.21 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1rei n GLY 68 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1rei n THR 69 N 0.00 0.00 -4.66 2.61 5.66 -1.26 -2.04 114.28 114.58 1rei n THR 69 Ca 0.00 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.67 1rei n THR 69 Cb 0.00 -0.78 -0.15 0.00 -1.55 0.00 0.00 70.33 67.85 1rei n THR 69 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1rei s ASP 70 N -2.74 3.72 0.15 1.09 1.01 -1.21 -0.83 116.67 117.87 1rei s ASP 70 Ca 0.00 -0.43 0.07 0.00 0.71 0.00 0.00 52.55 52.90 1rei s ASP 70 Cb 0.00 -1.57 -0.04 0.00 1.01 0.00 0.00 42.92 42.32 1rei s ASP 70 CO 0.00 0.12 -0.16 -0.31 0.21 0.00 0.00 175.17 175.03 1rei s TYR 71 N 0.63 1.59 0.05 4.23 1.51 0.14 -3.71 117.35 121.79 1rei s TYR 71 Ca -0.08 -0.53 0.01 0.00 -1.01 0.00 0.00 57.07 55.45 1rei s TYR 71 Cb -0.16 -0.80 -0.03 0.00 -0.11 0.00 0.00 41.96 40.86 1rei s TYR 71 CO 0.03 0.23 -0.05 0.95 -1.11 0.00 0.00 175.55 175.60 1rei s THR 72 N -2.23 0.38 -0.08 -0.71 -4.23 -0.52 -1.14 115.64 107.11 1rei s THR 72 Ca 0.13 -1.39 0.01 0.00 -1.18 0.00 0.00 61.69 59.27 1rei s THR 72 Cb -0.05 -0.96 0.02 0.00 1.34 0.00 0.00 72.50 72.85 1rei s THR 72 CO 0.05 -0.66 -0.11 0.12 -0.54 0.00 0.00 174.62 173.48 1rei s PHE 73 N -2.48 1.47 -0.10 3.99 2.19 0.14 -2.17 117.98 121.02 1rei s PHE 73 Ca -0.03 -0.61 0.00 0.00 0.33 0.00 0.00 56.93 56.63 1rei s PHE 73 Cb -0.03 -1.12 -0.02 0.00 -1.31 0.00 0.00 43.02 40.54 1rei s PHE 73 CO -0.04 -0.36 -0.10 0.99 1.83 0.00 0.00 175.22 177.55 1rei s THR 74 N 1.00 3.42 -0.38 0.12 2.01 -0.03 -1.52 115.64 120.26 1rei s THR 74 Ca -0.08 -0.56 -0.09 0.00 0.31 0.00 0.00 61.69 61.26 1rei s THR 74 Cb -0.15 -2.41 0.05 0.00 0.01 0.00 0.00 72.50 70.00 1rei s THR 74 CO -0.00 0.56 0.20 -0.63 -0.69 0.00 0.00 174.62 174.06 1rei s ILE 75 N -0.26 4.28 0.24 1.82 1.01 -0.47 -1.10 121.20 126.72 1rei s ILE 75 Ca 0.03 -1.11 -0.07 0.00 0.00 0.00 0.00 60.65 59.50 1rei s ILE 75 Cb -0.13 -3.48 0.23 0.00 0.01 0.00 0.00 42.46 39.09 1rei s ILE 75 CO 0.03 -0.32 1.90 0.77 0.00 0.00 0.00 174.94 177.32 1rei h SER 76 N 8.38 1.11 -2.95 3.58 4.64 -1.40 -1.93 113.55 124.98 1rei h SER 76 Ca -0.24 -0.05 -0.27 0.00 -0.47 0.00 0.00 61.79 60.75 1rei h SER 76 Cb 1.09 -0.28 -0.35 0.00 -0.31 0.00 0.00 62.40 62.55 1rei h SER 76 CO 0.68 0.83 -0.60 -0.55 -0.87 0.00 0.00 176.83 176.32 1rei s SER 77 N -6.13 0.73 0.17 4.97 0.15 -1.26 -3.67 113.70 108.65 1rei s SER 77 Ca -0.13 0.33 -0.29 0.00 0.70 0.00 0.00 55.95 56.56 1rei s SER 77 Cb 0.17 0.41 -0.07 0.00 -1.71 0.00 0.00 66.02 64.82 1rei s SER 77 CO 0.82 -0.25 0.93 -0.22 1.20 0.00 0.00 173.24 175.71 1rei s LEU 78 N 2.34 4.57 0.25 3.45 2.96 -0.96 -4.83 118.68 126.45 1rei s LEU 78 Ca 0.03 1.83 0.05 0.00 -0.22 0.00 0.00 54.13 55.82 1rei s LEU 78 Cb -0.13 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.95 1rei s LEU 78 CO -0.07 0.05 -0.03 -1.10 -1.32 0.00 0.00 176.35 173.88 1rei s GLN 79 N -0.59 1.41 0.53 1.98 -0.21 -1.26 -1.00 119.66 120.53 1rei s GLN 79 Ca 0.43 -1.71 0.19 0.00 0.02 0.00 0.00 55.36 54.29 1rei s GLN 79 Cb -0.24 -0.84 1.35 0.00 1.00 0.00 0.00 33.01 34.28 1rei s GLN 79 CO 0.30 -0.03 2.15 -1.00 -2.12 0.00 0.00 175.29 174.58 1rei h PRO 80 N 2.41 0.00 -0.33 2.91 0.13 -2.01 -2.65 132.00 132.46 1rei h PRO 80 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1rei h PRO 80 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1rei h PRO 80 CO 0.66 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.82 1rei n GLU 81 N -4.43 1.26 0.00 0.86 4.71 -1.26 -3.23 120.64 118.55 1rei n GLU 81 Ca -0.02 -0.31 0.11 0.00 -0.01 0.00 0.00 57.16 56.93 1rei n GLU 81 Cb 0.15 -1.21 -0.04 0.00 -1.01 0.00 0.00 31.44 29.33 1rei n GLU 81 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1rei n ASP 82 N -0.17 0.75 -4.55 1.62 8.00 -1.00 -4.90 116.55 116.31 1rei n ASP 82 Ca 0.03 -0.64 -0.41 0.00 0.71 0.00 0.00 54.79 54.48 1rei n ASP 82 Cb 0.15 0.94 -0.04 0.00 -0.02 0.00 0.00 41.12 42.15 1rei n ASP 82 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1rei n ILE 83 N -1.66 0.13 -3.73 0.53 5.41 -1.20 -4.80 119.36 114.05 1rei n ILE 83 Ca 0.03 -0.54 -0.00 0.00 1.00 0.00 0.00 62.75 63.24 1rei n ILE 83 Cb 0.37 -2.41 -0.00 0.00 -0.71 0.00 0.00 39.64 36.89 1rei n ILE 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1rei s ALA 84 N 9.74 -2.01 -0.10 -1.39 0.00 -1.22 -4.65 121.76 122.13 1rei s ALA 84 Ca 1.03 0.34 -0.04 0.00 0.00 0.00 0.00 51.96 53.28 1rei s ALA 84 Cb -0.40 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 1rei s ALA 84 CO 0.35 -1.06 0.08 0.99 0.00 0.00 0.00 175.76 176.11 1rei s THR 85 N -2.61 4.94 -0.09 0.00 2.01 -0.73 -1.89 115.64 117.28 1rei s THR 85 Ca 0.16 -0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.17 1rei s THR 85 Cb 0.02 -3.13 -0.01 0.00 0.01 0.00 0.00 72.50 69.39 1rei s THR 85 CO -0.01 0.60 -0.19 -0.31 -0.69 0.00 0.00 174.62 174.03 1rei s TYR 86 N -0.97 2.63 0.01 4.92 2.02 -0.67 -0.05 117.35 125.23 1rei s TYR 86 Ca 0.15 -0.66 0.08 0.00 -0.37 0.00 0.00 57.07 56.27 1rei s TYR 86 Cb -0.12 -1.70 -0.02 0.00 -0.40 0.00 0.00 41.96 39.71 1rei s TYR 86 CO 0.04 -0.18 -0.25 0.71 -1.57 0.00 0.00 175.55 174.30 1rei s TYR 87 N 0.00 2.37 0.04 2.71 2.02 0.71 -1.78 117.35 123.42 1rei s TYR 87 Ca -0.06 -0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 56.22 1rei s TYR 87 Cb -0.15 -1.46 -0.04 0.00 -0.40 0.00 0.00 41.96 39.91 1rei s TYR 87 CO 0.05 0.07 0.23 0.00 -1.57 0.00 0.00 175.55 174.32 1rei s GLN 89 N -2.28 -0.01 0.04 0.00 0.74 -0.19 -0.63 119.66 117.33 1rei s GLN 89 Ca 0.33 0.09 -0.04 0.00 0.05 0.00 0.00 55.36 55.78 1rei s GLN 89 Cb -0.13 -0.13 -0.05 0.00 1.10 0.00 0.00 33.01 33.80 1rei s GLN 89 CO 0.24 -0.08 0.26 1.14 -0.55 0.00 0.00 175.29 176.30 1rei s GLN 90 N 0.54 3.54 -0.27 1.67 1.03 -1.12 -0.81 119.66 124.25 1rei s GLN 90 Ca -0.05 -0.19 0.22 0.00 0.04 0.00 0.00 55.36 55.39 1rei s GLN 90 Cb -0.07 -3.03 0.50 0.00 0.03 0.00 0.00 33.01 30.45 1rei s GLN 90 CO -0.01 0.61 1.09 2.48 -2.54 0.00 0.00 175.29 176.92 1rei n TYR 91 N 0.74 1.25 -0.02 9.60 4.11 -0.98 -3.67 117.16 128.19 1rei n TYR 91 Ca -0.08 -2.23 -0.16 0.00 -0.00 0.00 0.00 57.90 55.43 1rei n TYR 91 Cb 0.52 -0.25 -0.11 0.00 -0.00 0.00 0.00 39.34 39.50 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 2.66 0.26 -3.34 -3.48 5.75 -1.88 -3.48 115.11 111.61 1rei h GLN 92 Ca -0.13 -0.28 -0.12 0.00 -0.15 0.00 0.00 58.65 57.97 1rei h GLN 92 Cb 1.26 0.08 -0.19 0.00 1.07 0.00 0.00 27.48 29.70 1rei h GLN 92 CO 0.22 0.99 -0.36 -1.54 -2.65 0.00 0.00 178.83 175.50 1rei s SER 93 N -6.47 -0.06 0.45 -0.69 1.04 -1.26 -5.15 113.70 101.55 1rei s SER 93 Ca -0.15 -0.16 -0.22 0.00 0.48 0.00 0.00 55.95 55.90 1rei s SER 93 Cb 0.02 0.29 -0.08 0.00 0.10 0.00 0.00 66.02 66.34 1rei s SER 93 CO 0.77 -0.49 1.07 -0.76 0.98 0.00 0.00 173.24 174.81 1rei s LEU 94 N -1.68 3.98 0.78 2.42 1.43 -1.26 -4.12 118.68 120.23 1rei s LEU 94 Ca -0.10 2.05 -0.10 0.00 -1.03 0.00 0.00 54.13 54.95 1rei s LEU 94 Cb -0.04 -4.36 0.09 0.00 0.03 0.00 0.00 46.19 41.91 1rei s LEU 94 CO 0.00 -0.72 1.12 -2.16 0.23 0.00 0.00 176.35 174.82 1rei s PRO 95 N -2.85 1.91 0.01 1.29 0.04 -1.26 -4.95 135.00 129.19 1rei s PRO 95 Ca 0.63 -0.15 -0.22 0.00 0.04 0.00 0.00 61.00 61.30 1rei s PRO 95 Cb -0.21 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 1rei s PRO 95 CO 0.26 -1.52 0.65 0.71 0.04 0.00 0.00 177.00 177.14 1rei s TYR 96 N -3.45 3.69 0.03 0.56 2.02 -1.26 -4.71 117.35 114.24 1rei s TYR 96 Ca 0.63 1.29 0.07 0.00 -0.37 0.00 0.00 57.07 58.69 1rei s TYR 96 Cb -0.10 -2.68 -0.02 0.00 -0.40 0.00 0.00 41.96 38.75 1rei s TYR 96 CO 0.47 0.31 -0.21 0.95 -1.57 0.00 0.00 175.55 175.50 1rei s THR 97 N -0.10 1.72 0.06 -0.71 -4.23 -1.24 -5.01 115.64 106.13 1rei s THR 97 Ca 0.34 -1.16 -0.00 0.00 -1.18 0.00 0.00 61.69 59.69 1rei s THR 97 Cb -0.19 -1.48 -0.04 0.00 1.34 0.00 0.00 72.50 72.13 1rei s THR 97 CO 0.19 0.28 0.22 -0.36 -0.54 0.00 0.00 174.62 174.40 1rei s PHE 98 N -0.74 3.52 1.19 3.99 0.40 -1.26 -2.77 117.98 122.31 1rei s PHE 98 Ca 0.08 0.25 -0.13 0.00 -0.60 0.00 0.00 56.93 56.53 1rei s PHE 98 Cb -0.09 -1.76 0.30 0.00 0.51 0.00 0.00 43.02 41.98 1rei s PHE 98 CO 0.01 0.58 1.02 0.20 0.70 0.00 0.00 175.22 177.74 1rei s GLY 99 N -2.53 1.53 0.00 4.36 0.00 0.20 -4.64 107.32 106.23 1rei s GLY 99 Ca 0.35 -0.22 0.28 0.00 0.00 0.00 0.00 44.72 45.13 1rei s GLY 99 CO 0.28 0.53 1.75 0.61 0.00 0.00 0.00 173.10 176.27 1rei n GLN 100 N -4.98 0.05 0.00 2.90 0.00 -1.26 -4.78 117.38 109.31 1rei n GLN 100 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 57.00 57.01 1rei n GLN 100 Cb 0.55 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.29 1rei n GLN 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1rei n GLY 101 N 1.48 2.18 3.47 2.61 0.00 -1.26 -5.02 105.19 108.66 1rei n GLY 101 Ca 0.07 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.06 4.46 -0.32 2.61 2.01 -0.73 -4.43 115.64 118.18 1rei s THR 102 Ca 0.00 -0.12 -0.20 0.00 0.31 0.00 0.00 61.69 61.68 1rei s THR 102 Cb 0.00 -3.09 -0.01 0.00 0.01 0.00 0.00 72.50 69.41 1rei s THR 102 CO 0.00 0.33 0.60 -0.75 -0.69 0.00 0.00 174.62 174.12 1rei s LYS 103 N 1.59 3.82 -0.25 4.92 2.20 -0.99 -1.67 119.74 129.35 1rei s LYS 103 Ca 0.06 0.17 -0.09 0.00 -0.36 0.00 0.00 55.97 55.75 1rei s LYS 103 Cb -0.15 -3.75 -0.04 0.00 -1.51 0.00 0.00 37.83 32.37 1rei s LYS 103 CO 0.05 -0.61 0.12 -1.17 -0.36 0.00 0.00 175.35 173.38 1rei s LEU 104 N 2.58 3.80 0.33 5.43 0.20 -0.79 -1.48 118.68 128.75 1rei s LEU 104 Ca 0.24 -0.04 0.09 0.00 0.69 0.00 0.00 54.13 55.10 1rei s LEU 104 Cb -0.15 -2.02 -0.05 0.00 -0.43 0.00 0.00 46.19 43.54 1rei s LEU 104 CO 0.13 0.01 0.03 -1.10 -0.29 0.00 0.00 176.35 175.12 1rei s GLN 105 N 1.37 2.13 -0.48 1.98 -0.21 -0.58 -3.37 119.66 120.51 1rei s GLN 105 Ca 0.06 -1.70 0.04 0.00 0.02 0.00 0.00 55.36 53.78 1rei s GLN 105 Cb -0.15 -1.98 0.12 0.00 1.00 0.00 0.00 33.01 32.01 1rei s GLN 105 CO 0.06 0.15 0.21 0.42 -2.12 0.00 0.00 175.29 174.01 1rei s ILE 106 N -2.49 2.46 -0.25 1.08 -1.09 -1.26 -2.46 121.20 117.18 1rei s ILE 106 Ca 0.35 -3.07 0.00 0.00 -2.23 0.00 0.00 60.65 55.70 1rei s ILE 106 Cb -0.01 -2.73 0.00 0.00 -1.58 0.00 0.00 42.46 38.14 1rei s ILE 106 CO 0.20 -0.76 0.06 0.35 -1.23 0.00 0.00 174.94 173.56