#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i8l s THR 2 N 0.00 0.88 -0.33 1.12 2.01 -1.26 -4.96 115.64 113.10 2i8l s THR 2 Ca 0.00 -0.28 0.03 0.00 0.31 0.00 0.00 61.69 61.75 2i8l s THR 2 Cb 0.00 -0.87 0.09 0.00 0.01 0.00 0.00 72.50 71.73 2i8l s THR 2 CO 0.00 0.32 0.04 -1.81 -0.69 0.00 0.00 174.62 172.47 2i8l s ASP 3 N 1.14 4.75 0.09 3.53 1.01 -1.26 -1.34 116.67 124.58 2i8l s ASP 3 Ca -0.06 -2.03 -0.18 0.00 0.71 0.00 0.00 52.55 50.99 2i8l s ASP 3 Cb -0.14 -1.63 -0.07 0.00 1.01 0.00 0.00 42.92 42.09 2i8l s ASP 3 CO -0.01 -0.36 0.55 0.68 0.21 0.00 0.00 175.17 176.24 2i8l s VAL 4 N 0.95 4.80 -0.18 -1.27 -7.23 -1.01 -0.89 120.40 115.56 2i8l s VAL 4 Ca 0.08 1.08 -0.04 0.00 -1.81 0.00 0.00 61.98 61.29 2i8l s VAL 4 Cb -0.19 -3.84 -0.02 0.00 0.56 0.00 0.00 36.38 32.89 2i8l s VAL 4 CO -0.07 0.47 -0.03 -0.22 -0.31 0.00 0.00 175.10 174.94 2i8l s LEU 5 N -1.34 3.19 -0.45 1.32 2.96 -0.52 -2.13 118.68 121.71 2i8l s LEU 5 Ca 0.31 -0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 54.01 2i8l s LEU 5 Cb -0.18 -1.79 0.12 0.00 0.50 0.00 0.00 46.19 44.84 2i8l s LEU 5 CO 0.18 0.10 0.23 -0.22 -1.32 0.00 0.00 176.35 175.33 2i8l s LEU 6 N 0.77 5.11 0.30 -0.68 2.96 -0.01 -0.58 118.68 126.54 2i8l s LEU 6 Ca -0.01 -2.29 -0.29 0.00 -0.22 0.00 0.00 54.13 51.32 2i8l s LEU 6 Cb -0.14 -1.79 -0.10 0.00 0.50 0.00 0.00 46.19 44.66 2i8l s LEU 6 CO 0.02 -0.46 1.17 0.00 -1.32 0.00 0.00 176.35 175.76 2i8l s VAL 8 N -1.16 0.02 -5.00 0.00 1.01 -0.43 -1.03 120.40 113.81 2i8l s VAL 8 Ca 0.46 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.28 2i8l s VAL 8 Cb -0.34 -0.07 0.00 0.00 0.00 0.00 0.00 36.38 35.97 2i8l s VAL 8 CO 0.45 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.07 2i8l n GLY 9 N 2.80 -0.29 2.73 4.51 0.00 -0.26 -2.51 105.19 112.17 2i8l n GLY 9 Ca -0.14 -1.67 -0.23 0.00 0.00 0.00 0.00 46.02 43.97 2i8l n GLY 9 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2i8l s ASN 10 N -1.79 1.73 0.10 1.61 3.84 -0.29 -2.01 114.94 118.13 2i8l s ASN 10 Ca 0.00 -0.19 0.07 0.00 0.21 0.00 0.00 52.86 52.94 2i8l s ASN 10 Cb 0.00 -0.38 0.36 0.00 -0.55 0.00 0.00 41.25 40.68 2i8l s ASN 10 CO 0.00 -0.24 1.17 -1.20 -2.79 0.00 0.00 177.10 174.05 2i8l n SER 11 N 5.18 0.17 -0.08 -4.21 7.64 -1.26 -1.97 113.62 119.09 2i8l n SER 11 Ca -0.06 0.55 0.01 0.00 1.01 0.00 0.00 58.87 60.38 2i8l n SER 11 Cb 0.50 -0.57 0.01 0.00 -1.01 0.00 0.00 64.21 63.14 2i8l n SER 11 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 2i8l n MET 12 N -1.71 1.04 -0.50 1.43 0.00 -1.26 -4.73 117.12 111.39 2i8l n MET 12 Ca -0.00 -1.07 -0.03 0.00 0.00 0.00 0.00 57.70 56.59 2i8l n MET 12 Cb 0.05 -0.75 0.14 0.00 0.00 0.00 0.00 33.22 32.66 2i8l n MET 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 2i8l n MET 13 N -0.29 2.29 0.00 3.17 2.81 -0.83 -0.49 117.12 123.78 2i8l n MET 13 Ca 0.02 -1.47 0.00 0.00 -1.81 0.00 0.00 57.70 54.44 2i8l n MET 13 Cb 0.46 -1.73 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 2i8l n MET 13 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2i8l n GLY 14 N 0.04 0.58 0.16 3.03 0.00 -0.74 -1.42 105.19 106.84 2i8l n GLY 14 Ca 0.20 -1.15 0.12 0.00 0.00 0.00 0.00 46.02 45.19 2i8l n GLY 14 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2i8l n ASP 15 N 2.86 0.63 0.00 1.61 8.00 -0.38 -2.42 116.55 126.85 2i8l n ASP 15 Ca 0.00 0.74 0.01 0.00 0.71 0.00 0.00 54.79 56.25 2i8l n ASP 15 Cb 0.00 -0.84 0.05 0.00 -0.02 0.00 0.00 41.12 40.31 2i8l n ASP 15 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2i8l n ASP 16 N -2.29 0.00 -0.60 -2.24 2.03 -1.24 -2.54 116.55 109.67 2i8l n ASP 16 Ca -0.00 0.26 0.02 0.00 0.52 0.00 0.00 54.79 55.59 2i8l n ASP 16 Cb 0.10 -0.29 0.07 0.00 -0.72 0.00 0.00 41.12 40.28 2i8l n ASP 16 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2i8l n GLY 17 N -1.11 1.11 0.06 0.27 0.00 -0.92 -1.14 105.19 103.45 2i8l n GLY 17 Ca 0.01 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 2i8l n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i8l h ALA 18 N 2.64 -0.04 0.52 4.61 0.00 -1.74 -1.66 119.26 123.59 2i8l h ALA 18 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2i8l h ALA 18 Cb 0.59 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.40 2i8l h ALA 18 CO 0.06 -0.52 -0.25 0.78 0.00 0.00 0.00 179.25 179.33 2i8l h GLY 19 N -0.06 -0.73 -0.12 0.00 0.00 -1.64 -2.12 103.07 98.39 2i8l h GLY 19 Ca -0.00 0.27 0.24 0.00 0.00 0.00 0.00 47.33 47.83 2i8l h GLY 19 CO 0.01 -0.26 0.59 -2.55 0.00 0.00 0.00 176.54 174.32 2i8l h PRO 20 N -0.72 0.58 -0.27 4.80 0.11 -1.70 0.11 132.00 134.90 2i8l h PRO 20 Ca -0.07 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.83 2i8l h PRO 20 Cb 0.55 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.52 2i8l h PRO 20 CO 0.12 0.38 -0.54 1.25 -0.21 0.00 0.00 178.00 179.00 2i8l h LEU 21 N 0.59 0.89 -0.35 2.35 5.85 -1.17 -1.83 115.31 121.64 2i8l h LEU 21 Ca 0.64 -0.47 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 2i8l h LEU 21 Cb 1.19 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 2i8l h LEU 21 CO -0.47 1.25 0.21 0.25 -0.34 0.00 0.00 178.44 179.34 2i8l h LEU 22 N 0.61 0.42 -1.02 2.25 5.85 -0.50 -2.05 115.31 120.87 2i8l h LEU 22 Ca 0.02 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.72 2i8l h LEU 22 Cb 1.13 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.00 2i8l h LEU 22 CO 0.12 0.35 0.66 0.00 -0.34 0.00 0.00 178.44 179.22 2i8l h ALA 23 N 1.09 1.36 -0.05 1.25 0.00 -0.76 0.18 119.26 122.32 2i8l h ALA 23 Ca 0.12 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2i8l h ALA 23 Cb 0.01 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 2i8l h ALA 23 CO -0.02 0.53 0.02 1.49 0.00 0.00 0.00 179.25 181.28 2i8l h GLU 24 N 1.25 0.08 -0.46 0.00 4.81 -1.00 0.92 114.58 120.19 2i8l h GLU 24 Ca 0.41 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.60 2i8l h GLU 24 Cb 0.03 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2i8l h GLU 24 CO -0.13 0.19 0.20 0.87 -0.73 0.00 0.00 179.01 179.40 2i8l h LYS 25 N -0.05 0.67 -0.67 1.92 1.57 -0.95 -0.77 116.57 118.29 2i8l h LYS 25 Ca 0.02 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 2i8l h LYS 25 Cb 0.13 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 2i8l h LYS 25 CO -0.00 0.59 0.12 0.00 -0.57 0.00 0.00 179.45 179.59 2i8l h ALA 27 N 1.09 1.12 -0.38 0.00 0.00 -0.47 -1.38 119.26 119.24 2i8l h ALA 27 Ca 0.20 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 2i8l h ALA 27 Cb 0.43 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2i8l h ALA 27 CO 0.01 0.58 -0.33 0.00 0.00 0.00 0.00 179.25 179.51 2i8l h ALA 28 N 1.26 0.70 -1.36 0.00 0.00 -0.84 -3.42 119.26 115.60 2i8l h ALA 28 Ca 0.17 -0.43 -0.18 0.00 0.00 0.00 0.00 54.91 54.48 2i8l h ALA 28 Cb 0.38 -0.13 -0.24 0.00 0.00 0.00 0.00 17.79 17.80 2i8l h ALA 28 CO 0.01 0.67 -0.54 0.00 0.00 0.00 0.00 179.25 179.39 2i8l s ALA 29 N -4.46 -1.64 0.94 0.00 0.00 -0.62 -5.11 121.76 110.88 2i8l s ALA 29 Ca -0.10 -0.23 -0.12 0.00 0.00 0.00 0.00 51.96 51.51 2i8l s ALA 29 Cb 0.12 -2.48 0.08 0.00 0.00 0.00 0.00 23.12 20.84 2i8l s ALA 29 CO 0.86 -2.19 0.68 -2.30 0.00 0.00 0.00 175.76 172.81 2i8l n PRO 30 N 4.36 -0.39 -4.41 0.00 -0.02 -0.53 -4.42 135.00 129.58 2i8l n PRO 30 Ca 0.11 -0.06 -0.26 0.00 -2.02 0.00 0.00 63.50 61.27 2i8l n PRO 30 Cb 0.52 -2.05 -0.09 0.00 -0.02 0.00 0.00 33.50 31.86 2i8l n PRO 30 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2i8l s LYS 31 N -4.01 2.04 0.00 -0.52 -0.14 -1.26 -5.05 119.74 110.81 2i8l s LYS 31 Ca 0.61 -1.93 0.00 0.00 -1.36 0.00 0.00 55.97 53.29 2i8l s LYS 31 Cb -0.22 -1.81 0.00 0.00 -1.68 0.00 0.00 37.83 34.12 2i8l s LYS 31 CO 0.64 0.00 0.00 0.41 -0.76 0.00 0.00 175.35 175.64 2i8l n GLY 32 N -1.02 1.68 2.30 -3.33 0.00 -1.26 -2.03 105.19 101.54 2i8l n GLY 32 Ca -0.04 0.47 0.01 0.00 0.00 0.00 0.00 46.02 46.46 2i8l n GLY 32 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2i8l n ASN 33 N 3.10 1.46 -4.77 1.61 5.15 -1.26 -5.10 115.26 115.46 2i8l n ASN 33 Ca 0.00 -2.09 -0.38 0.00 -0.60 0.00 0.00 54.58 51.51 2i8l n ASN 33 Cb 0.00 -0.41 -0.00 0.00 -0.53 0.00 0.00 39.78 38.83 2i8l n ASN 33 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 2i8l s TRP 34 N -2.44 2.81 -0.47 1.20 0.52 -0.86 -4.51 118.94 115.20 2i8l s TRP 34 Ca 0.30 1.48 -0.13 0.00 0.02 0.00 0.00 56.10 57.78 2i8l s TRP 34 Cb 0.35 -3.52 0.09 0.00 -1.15 0.00 0.00 33.47 29.24 2i8l s TRP 34 CO -0.08 -1.83 0.36 0.08 0.02 0.00 0.00 176.95 175.50 2i8l s VAL 35 N -1.41 4.76 0.24 4.03 1.01 -0.07 -4.88 120.40 124.07 2i8l s VAL 35 Ca 0.62 -1.35 -0.30 0.00 0.00 0.00 0.00 61.98 60.95 2i8l s VAL 35 Cb -0.33 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.02 2i8l s VAL 35 CO 0.41 -0.63 1.22 -0.69 0.00 0.00 0.00 175.10 175.41 2i8l s VAL 36 N 1.52 3.31 0.01 2.92 1.01 -1.26 -1.43 120.40 126.48 2i8l s VAL 36 Ca 0.04 1.18 0.01 0.00 0.00 0.00 0.00 61.98 63.21 2i8l s VAL 36 Cb -0.25 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 2i8l s VAL 36 CO 0.03 0.23 -0.05 -0.63 0.00 0.00 0.00 175.10 174.69 2i8l s ILE 37 N -0.48 0.34 -0.21 2.22 1.01 0.25 -4.91 121.20 119.43 2i8l s ILE 37 Ca 0.51 -0.36 -0.01 0.00 0.00 0.00 0.00 60.65 60.79 2i8l s ILE 37 Cb -0.35 -0.32 0.06 0.00 0.01 0.00 0.00 42.46 41.86 2i8l s ILE 37 CO 0.41 -0.02 -0.00 -0.62 0.00 0.00 0.00 174.94 174.71 2i8l s ASP 38 N -0.41 3.28 0.00 3.58 2.15 -1.26 -1.13 116.67 122.88 2i8l s ASP 38 Ca -0.01 -0.96 0.27 0.00 0.43 0.00 0.00 52.55 52.28 2i8l s ASP 38 Cb -0.03 -0.83 1.10 0.00 -0.30 0.00 0.00 42.92 42.85 2i8l s ASP 38 CO -0.00 -0.28 1.77 0.61 -0.17 0.00 0.00 175.17 177.10 2i8l n GLY 39 N 4.90 -0.07 7.00 2.66 0.00 -0.19 -4.97 105.19 114.51 2i8l n GLY 39 Ca -0.10 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2i8l n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i8l n GLY 40 N 1.15 2.00 0.73 -0.02 0.00 -1.26 -2.97 105.19 104.81 2i8l n GLY 40 Ca 0.19 -0.46 0.12 0.00 0.00 0.00 0.00 46.02 45.88 2i8l n GLY 40 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2i8l n SER 41 N -1.05 2.24 -3.19 1.61 3.41 -0.85 -1.10 113.62 114.70 2i8l n SER 41 Ca 0.00 -1.76 -0.21 0.00 -0.26 0.00 0.00 58.87 56.64 2i8l n SER 41 Cb 0.00 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 63.84 2i8l n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i8l n ALA 42 N 0.73 2.40 0.28 7.33 0.00 -1.19 -4.89 120.51 125.17 2i8l n ALA 42 Ca 0.17 -3.53 0.11 0.00 0.00 0.00 0.00 53.44 50.19 2i8l n ALA 42 Cb 0.46 -0.87 0.51 0.00 0.00 0.00 0.00 19.45 19.54 2i8l n ALA 42 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2i8l n PRO 43 N 0.70 0.15 -0.32 0.00 -0.04 -1.16 -2.16 135.00 132.17 2i8l n PRO 43 Ca 0.24 0.52 0.23 0.00 -0.04 0.00 0.00 63.50 64.44 2i8l n PRO 43 Cb 0.59 -1.88 0.44 0.00 -0.04 0.00 0.00 33.50 32.61 2i8l n PRO 43 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2i8l h GLU 44 N 0.00 0.17 0.00 0.54 4.57 -1.94 -0.10 114.58 117.83 2i8l h GLU 44 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2i8l h GLU 44 Cb 0.18 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 2i8l h GLU 44 CO 0.00 0.11 0.00 -0.91 -1.18 0.00 0.00 179.01 177.03 2i8l h ASN 45 N 0.18 0.00 -0.01 1.04 2.35 -1.80 -3.25 115.58 114.09 2i8l h ASN 45 Ca 0.71 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.46 2i8l h ASN 45 Cb 1.66 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.03 2i8l h ASN 45 CO -0.70 0.00 0.00 -0.67 -1.65 0.00 0.00 177.43 174.41 2i8l n ASP 46 N -2.68 1.30 -0.34 5.81 2.03 -0.07 -4.60 116.55 118.01 2i8l n ASP 46 Ca 0.01 -1.18 0.19 0.00 0.52 0.00 0.00 54.79 54.33 2i8l n ASP 46 Cb 0.26 -0.00 0.42 0.00 -0.72 0.00 0.00 41.12 41.07 2i8l n ASP 46 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2i8l h ILE 47 N 0.52 0.55 -0.85 5.18 2.04 -1.53 -0.41 117.51 123.00 2i8l h ILE 47 Ca 0.00 -0.19 0.09 0.00 1.00 0.00 0.00 64.86 65.77 2i8l h ILE 47 Cb 0.15 -0.04 -0.07 0.00 -0.74 0.00 0.00 36.82 36.11 2i8l h ILE 47 CO 0.00 0.10 0.50 0.58 0.00 0.00 0.00 178.15 179.33 2i8l h VAL 48 N 0.55 0.93 -0.58 1.67 2.07 -1.84 -0.41 116.25 118.62 2i8l h VAL 48 Ca 0.62 -0.29 -0.09 0.00 0.82 0.00 0.00 66.70 67.77 2i8l h VAL 48 Cb 1.27 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2i8l h VAL 48 CO -0.41 0.15 0.02 0.00 0.02 0.00 0.00 177.57 177.35 2i8l h ALA 49 N 1.46 0.78 -0.07 1.67 0.00 -1.41 -1.78 119.26 119.91 2i8l h ALA 49 Ca 0.41 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2i8l h ALA 49 Cb 0.35 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2i8l h ALA 49 CO -0.24 0.60 0.04 0.82 0.00 0.00 0.00 179.25 180.47 2i8l h ILE 50 N 0.90 1.05 -0.56 0.00 2.04 -1.34 -3.19 117.51 116.40 2i8l h ILE 50 Ca 0.17 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 2i8l h ILE 50 Cb 0.52 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 2i8l h ILE 50 CO 0.03 0.04 0.30 0.03 0.00 0.00 0.00 178.15 178.55 2i8l h ARG 51 N 0.05 0.77 -0.43 2.37 3.08 -0.56 -1.86 114.38 117.80 2i8l h ARG 51 Ca 0.02 -0.08 0.12 0.00 0.07 0.00 0.00 59.98 60.12 2i8l h ARG 51 Cb 0.03 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 2i8l h ARG 51 CO -0.00 0.57 0.31 0.93 -1.07 0.00 0.00 179.97 180.71 2i8l h GLU 52 N 0.78 0.02 -0.00 0.04 4.39 -1.33 -1.61 114.58 116.87 2i8l h GLU 52 Ca 0.20 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 2i8l h GLU 52 Cb 0.03 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2i8l h GLU 52 CO -0.03 0.01 -0.36 1.28 -1.16 0.00 0.00 179.01 178.75 2i8l n LEU 53 N -4.41 0.42 -3.92 1.33 4.77 -0.70 -4.98 117.00 109.50 2i8l n LEU 53 Ca 0.07 0.09 -0.26 0.00 -0.03 0.00 0.00 56.01 55.89 2i8l n LEU 53 Cb 0.50 -0.29 0.01 0.00 -2.33 0.00 0.00 43.42 41.30 2i8l n LEU 53 CO 0.36 0.10 -0.09 0.54 -1.33 0.00 0.00 177.39 176.97 2i8l n ARG 54 N -1.43 -0.60 -1.13 3.23 1.74 -0.61 -4.83 116.66 113.04 2i8l n ARG 54 Ca 0.07 -0.21 -0.34 0.00 -0.77 0.00 0.00 57.85 56.59 2i8l n ARG 54 Cb 0.33 -0.88 0.11 0.00 -1.02 0.00 0.00 32.46 31.01 2i8l n ARG 54 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2i8l n PRO 55 N -3.18 0.20 -0.04 5.56 -0.02 -1.26 -4.95 135.00 131.31 2i8l n PRO 55 Ca -0.06 0.14 -0.16 0.00 -2.02 0.00 0.00 63.50 61.39 2i8l n PRO 55 Cb 0.30 -2.27 -0.07 0.00 -0.02 0.00 0.00 33.50 31.44 2i8l n PRO 55 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2i8l h THR 56 N -0.80 1.32 -4.09 3.45 2.02 -1.53 -3.33 112.91 109.95 2i8l h THR 56 Ca -0.46 -1.81 -0.11 0.00 0.77 0.00 0.00 66.41 64.79 2i8l h THR 56 Cb 1.31 2.00 -0.15 0.00 -1.74 0.00 0.00 68.15 69.57 2i8l h THR 56 CO 0.44 0.56 -0.56 -0.13 0.37 0.00 0.00 175.52 176.21 2i8l s ARG 57 N -3.83 0.74 -0.02 6.66 0.52 -0.92 -1.28 118.95 120.81 2i8l s ARG 57 Ca -0.12 -1.15 -0.01 0.00 -0.52 0.00 0.00 55.73 53.93 2i8l s ARG 57 Cb 0.07 0.26 0.01 0.00 0.52 0.00 0.00 34.95 35.81 2i8l s ARG 57 CO 0.86 -0.19 0.05 -1.17 0.02 0.00 0.00 175.30 174.87 2i8l s LEU 58 N -2.91 1.74 -0.18 2.53 2.96 -0.22 -2.41 118.68 120.19 2i8l s LEU 58 Ca 0.08 0.09 -0.00 0.00 -0.22 0.00 0.00 54.13 54.08 2i8l s LEU 58 Cb 0.07 0.14 0.04 0.00 0.50 0.00 0.00 46.19 46.94 2i8l s LEU 58 CO -0.09 -0.03 -0.06 -0.22 -1.32 0.00 0.00 176.35 174.63 2i8l s LEU 59 N 0.15 1.86 0.29 -0.68 2.96 -0.90 -1.09 118.68 121.26 2i8l s LEU 59 Ca -0.01 -0.77 -0.15 0.00 -0.22 0.00 0.00 54.13 52.98 2i8l s LEU 59 Cb -0.02 -1.01 -0.09 0.00 0.50 0.00 0.00 46.19 45.57 2i8l s LEU 59 CO -0.00 -0.18 0.71 -0.63 -1.32 0.00 0.00 176.35 174.93 2i8l s ILE 60 N 1.56 4.68 -0.02 6.68 -1.09 0.01 -0.83 121.20 132.19 2i8l s ILE 60 Ca -0.00 0.97 -0.01 0.00 -2.23 0.00 0.00 60.65 59.38 2i8l s ILE 60 Cb -0.16 -3.67 0.02 0.00 -1.58 0.00 0.00 42.46 37.07 2i8l s ILE 60 CO -0.08 -0.07 0.04 -0.69 -1.23 0.00 0.00 174.94 172.91 2i8l s VAL 61 N -1.85 -0.04 0.28 2.92 1.01 -0.57 -1.24 120.40 120.92 2i8l s VAL 61 Ca 0.50 0.14 -0.20 0.00 0.00 0.00 0.00 61.98 62.42 2i8l s VAL 61 Cb -0.12 -0.09 0.04 0.00 0.00 0.00 0.00 36.38 36.22 2i8l s VAL 61 CO 0.19 0.06 0.82 -0.62 0.00 0.00 0.00 175.10 175.54 2i8l s ASP 62 N 0.72 -0.13 0.70 3.32 2.15 -1.21 -1.31 116.67 120.91 2i8l s ASP 62 Ca -0.06 -0.76 -0.13 0.00 0.43 0.00 0.00 52.55 52.03 2i8l s ASP 62 Cb -0.08 0.71 0.02 0.00 -0.30 0.00 0.00 42.92 43.26 2i8l s ASP 62 CO -0.02 -1.35 1.09 0.00 -0.17 0.00 0.00 175.17 174.71 2i8l s ALA 63 N -3.10 2.46 -0.18 3.66 0.00 -1.26 -2.91 121.76 120.43 2i8l s ALA 63 Ca 0.14 0.35 -0.08 0.00 0.00 0.00 0.00 51.96 52.37 2i8l s ALA 63 Cb -0.05 -3.27 0.07 0.00 0.00 0.00 0.00 23.12 19.88 2i8l s ALA 63 CO 0.08 -1.38 0.41 0.99 0.00 0.00 0.00 175.76 175.85 2i8l s THR 64 N -2.67 -0.24 -1.26 0.00 2.01 0.27 -4.70 115.64 109.06 2i8l s THR 64 Ca 0.63 0.12 -0.19 0.00 0.31 0.00 0.00 61.69 62.56 2i8l s THR 64 Cb -0.18 -0.62 0.03 0.00 0.01 0.00 0.00 72.50 71.74 2i8l s THR 64 CO 0.48 0.05 1.78 -0.62 -0.69 0.00 0.00 174.62 175.62 2i8l s ASP 65 N 1.83 6.37 0.00 3.53 2.15 -1.26 -3.72 116.67 125.57 2i8l s ASP 65 Ca -0.07 -2.21 0.23 0.00 0.43 0.00 0.00 52.55 50.94 2i8l s ASP 65 Cb -0.10 -2.58 1.13 0.00 -0.30 0.00 0.00 42.92 41.07 2i8l s ASP 65 CO -0.13 -1.66 1.76 0.23 -0.17 0.00 0.00 175.17 175.20 2i8l n MET 66 N 8.39 0.27 -1.40 4.34 2.81 -1.26 -4.67 117.12 125.60 2i8l n MET 66 Ca 0.47 0.08 -0.10 0.00 -1.81 0.00 0.00 57.70 56.33 2i8l n MET 66 Cb 0.46 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.43 2i8l n MET 66 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2i8l n GLY 67 N 0.72 1.06 1.06 3.03 0.00 -1.26 -5.03 105.19 104.76 2i8l n GLY 67 Ca 0.10 -0.54 -0.06 0.00 0.00 0.00 0.00 46.02 45.52 2i8l n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2i8l n LEU 68 N -1.23 0.00 -4.76 0.99 4.77 -1.26 -5.09 117.00 110.43 2i8l n LEU 68 Ca -0.11 -0.59 -0.40 0.00 -0.03 0.00 0.00 56.01 54.88 2i8l n LEU 68 Cb 0.37 -0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.25 2i8l n LEU 68 CO 0.16 -0.62 0.79 0.21 -1.33 0.00 0.00 177.39 176.60 2i8l s ASN 69 N -2.09 7.22 0.19 -1.43 2.47 -1.26 -5.00 114.94 115.04 2i8l s ASN 69 Ca 0.18 2.26 -0.30 0.00 0.42 0.00 0.00 52.86 55.42 2i8l s ASN 69 Cb -0.01 -2.62 -0.17 0.00 -1.45 0.00 0.00 41.25 37.00 2i8l s ASN 69 CO 0.12 -0.18 0.77 -2.65 -3.72 0.00 0.00 177.10 171.44 2i8l n PRO 70 N 1.08 0.41 -0.94 0.43 -0.02 -1.26 -2.01 135.00 132.69 2i8l n PRO 70 Ca -0.01 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2i8l n PRO 70 Cb 0.45 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 2i8l n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2i8l n GLY 71 N 1.79 0.78 3.76 -1.23 0.00 -0.50 -4.90 105.19 104.89 2i8l n GLY 71 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 2i8l n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2i8l s GLU 72 N -0.17 3.48 -0.02 1.61 0.41 -0.85 -4.68 118.70 118.48 2i8l s GLU 72 Ca 0.00 1.87 0.06 0.00 -0.41 0.00 0.00 54.97 56.49 2i8l s GLU 72 Cb 0.00 -2.27 -0.01 0.00 -1.78 0.00 0.00 34.13 30.06 2i8l s GLU 72 CO 0.00 -0.81 -0.19 0.42 -0.49 0.00 0.00 175.26 174.19 2i8l s ILE 73 N -1.52 1.54 0.02 -1.63 1.01 -1.26 -0.82 121.20 118.53 2i8l s ILE 73 Ca 0.68 -0.83 -0.11 0.00 0.00 0.00 0.00 60.65 60.39 2i8l s ILE 73 Cb -0.31 -1.28 0.01 0.00 0.01 0.00 0.00 42.46 40.89 2i8l s ILE 73 CO 0.37 0.44 0.22 -0.13 0.00 0.00 0.00 174.94 175.83 2i8l s ARG 74 N -0.44 0.65 0.28 2.79 1.81 -0.51 -4.44 118.95 119.09 2i8l s ARG 74 Ca 0.07 -0.46 -0.27 0.00 -1.72 0.00 0.00 55.73 53.35 2i8l s ARG 74 Cb -0.08 0.28 -0.09 0.00 -0.45 0.00 0.00 34.95 34.60 2i8l s ARG 74 CO -0.01 -0.18 0.92 0.42 -0.68 0.00 0.00 175.30 175.77 2i8l s ILE 75 N -1.98 4.18 0.17 1.52 -1.09 0.15 -0.72 121.20 123.44 2i8l s ILE 75 Ca -0.10 1.89 0.02 0.00 -2.23 0.00 0.00 60.65 60.23 2i8l s ILE 75 Cb -0.04 -4.13 -0.05 0.00 -1.58 0.00 0.00 42.46 36.67 2i8l s ILE 75 CO -0.00 0.30 0.00 -0.63 -1.23 0.00 0.00 174.94 173.37 2i8l s ILE 76 N -1.43 0.66 0.03 2.92 1.01 -0.03 -0.95 121.20 123.42 2i8l s ILE 76 Ca 0.46 -1.98 0.02 0.00 0.00 0.00 0.00 60.65 59.15 2i8l s ILE 76 Cb -0.21 -2.11 -0.02 0.00 0.01 0.00 0.00 42.46 40.13 2i8l s ILE 76 CO 0.27 -0.48 -0.08 -0.62 0.00 0.00 0.00 174.94 174.02 2i8l s ASP 77 N -3.17 0.90 0.60 3.58 -1.08 -1.26 -2.95 116.67 113.29 2i8l s ASP 77 Ca 0.24 -0.37 0.29 0.00 -0.52 0.00 0.00 52.55 52.19 2i8l s ASP 77 Cb 0.06 -0.02 1.63 0.00 -1.46 0.00 0.00 42.92 43.12 2i8l s ASP 77 CO 0.04 -0.07 2.04 1.55 0.52 0.00 0.00 175.17 179.24 2i8l h PRO 78 N 5.10 0.00 0.00 4.34 0.13 -1.97 0.69 132.00 140.30 2i8l h PRO 78 Ca -0.33 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 2i8l h PRO 78 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2i8l h PRO 78 CO 0.45 0.00 -0.04 0.22 -0.23 0.00 0.00 178.00 178.40 2i8l h ASP 79 N 0.00 0.00 0.00 1.44 3.58 -1.99 -3.27 116.42 116.17 2i8l h ASP 79 Ca 0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.56 2i8l h ASP 79 Cb 0.68 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.73 2i8l h ASP 79 CO -0.00 0.04 -0.89 -0.67 -2.88 0.00 0.00 179.24 174.83 2i8l n ASP 80 N -3.21 4.46 -0.35 2.28 2.03 0.06 -4.56 116.55 117.26 2i8l n ASP 80 Ca -0.01 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.43 2i8l n ASP 80 Cb 0.23 0.46 0.32 0.00 -0.72 0.00 0.00 41.12 41.41 2i8l n ASP 80 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2i8l h ILE 81 N 0.00 0.68 -0.37 5.18 2.04 -1.19 -0.35 117.51 123.49 2i8l h ILE 81 Ca 0.00 -0.24 0.11 0.00 1.00 0.00 0.00 64.86 65.72 2i8l h ILE 81 Cb 0.87 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2i8l h ILE 81 CO 0.00 0.13 0.29 0.00 0.00 0.00 0.00 178.15 178.57 2i8l h ALA 82 N 1.65 2.29 0.00 1.87 0.00 -1.80 -0.47 119.26 122.81 2i8l h ALA 82 Ca 0.58 -0.01 -0.42 0.00 0.00 0.00 0.00 54.91 55.06 2i8l h ALA 82 Cb 0.93 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 2i8l h ALA 82 CO -0.40 -0.48 -2.47 0.39 0.00 0.00 0.00 179.25 176.29 2i8l n GLU 83 N -4.30 0.63 0.13 0.00 -0.58 -0.68 -4.53 120.64 111.31 2i8l n GLU 83 Ca 0.06 0.20 0.00 0.00 -0.42 0.00 0.00 57.16 57.01 2i8l n GLU 83 Cb 0.47 -1.52 0.29 0.00 -0.57 0.00 0.00 31.44 30.11 2i8l n GLU 83 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 2i8l h MET 84 N -0.39 0.14 -0.15 3.49 2.86 -0.66 -2.26 114.93 117.96 2i8l h MET 84 Ca -0.62 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 56.89 2i8l h MET 84 Cb 1.79 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 33.44 2i8l h MET 84 CO -0.21 0.50 -0.19 0.74 1.06 0.00 0.00 176.91 178.81 2i8l h PHE 85 N 0.12 0.49 -0.11 -0.22 -1.00 -1.34 -3.07 116.94 111.82 2i8l h PHE 85 Ca 0.01 -0.16 0.00 0.00 2.81 0.00 0.00 57.97 60.63 2i8l h PHE 85 Cb 0.72 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.18 2i8l h PHE 85 CO 0.01 0.81 0.00 0.00 -1.61 0.00 0.00 178.31 177.52 2i8l n MET 86 N -4.49 1.28 0.28 1.51 0.00 -1.11 -3.05 117.12 111.54 2i8l n MET 86 Ca -0.06 -0.43 0.13 0.00 0.00 0.00 0.00 57.70 57.34 2i8l n MET 86 Cb 0.40 -1.16 0.82 0.00 0.00 0.00 0.00 33.22 33.29 2i8l n MET 86 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 175.97 177.95 2i8l h MET 87 N 0.74 0.00 0.00 3.17 -1.53 -1.30 0.72 114.93 116.73 2i8l h MET 87 Ca 0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 2i8l h MET 87 Cb 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.22 2i8l h MET 87 CO 0.00 0.02 0.01 1.79 0.14 0.00 0.00 176.91 178.87 2i8l h THR 88 N 0.00 0.00 -3.88 -0.77 1.35 -1.75 -3.46 112.91 104.40 2i8l h THR 88 Ca -0.00 0.00 -0.37 0.00 -0.55 0.00 0.00 66.41 65.49 2i8l h THR 88 Cb 0.04 0.58 -0.00 0.00 -1.73 0.00 0.00 68.15 67.03 2i8l h THR 88 CO 0.00 0.00 -0.50 0.41 -0.25 0.00 0.00 175.52 175.18 2i8l n THR 89 N -2.42 -1.15 0.22 6.82 -1.04 0.25 -4.74 114.28 112.21 2i8l n THR 89 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2i8l n THR 89 Cb 0.05 -2.67 0.00 0.00 -1.82 0.00 0.00 70.33 65.89 2i8l n THR 89 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 2i8l n HIS 90 N -3.98 -4.13 -2.36 -1.42 -0.00 -1.26 -5.12 115.22 96.95 2i8l n HIS 90 Ca -0.16 1.30 -0.36 0.00 -0.00 0.00 0.00 57.72 58.49 2i8l n HIS 90 Cb 0.63 3.03 -0.02 0.00 -0.00 0.00 0.00 29.99 33.63 2i8l n HIS 90 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 2i8l s ASN 91 N -2.99 6.29 0.47 0.26 -0.87 -1.26 -4.99 114.94 111.85 2i8l s ASN 91 Ca 0.00 2.19 -0.23 0.00 -1.57 0.00 0.00 52.86 53.25 2i8l s ASN 91 Cb 0.00 -2.59 -0.07 0.00 -0.02 0.00 0.00 41.25 38.57 2i8l s ASN 91 CO 0.00 -0.83 1.22 -0.04 -2.57 0.00 0.00 177.10 174.88 2i8l s MET 92 N -2.76 3.65 -1.19 -0.60 -1.94 -1.26 -3.72 119.30 111.47 2i8l s MET 92 Ca 0.63 1.92 -0.21 0.00 -1.71 0.00 0.00 55.69 56.32 2i8l s MET 92 Cb -0.25 -2.41 -0.02 0.00 2.01 0.00 0.00 34.83 34.15 2i8l s MET 92 CO 0.31 -0.68 1.84 -1.25 -0.01 0.00 0.00 175.02 175.23 2i8l s PRO 93 N -2.69 3.07 0.00 2.03 0.04 -1.26 -4.66 135.00 131.53 2i8l s PRO 93 Ca 0.64 -1.38 0.00 0.00 0.04 0.00 0.00 61.00 60.30 2i8l s PRO 93 Cb -0.32 -5.34 0.00 0.00 0.04 0.00 0.00 34.50 28.88 2i8l s PRO 93 CO 0.39 -3.26 0.70 1.28 0.04 0.00 0.00 177.00 176.15 2i8l n LEU 94 N 12.03 0.00 0.11 -3.56 4.77 -1.26 -2.06 117.00 127.02 2i8l n LEU 94 Ca 0.45 0.23 0.20 0.00 -0.03 0.00 0.00 56.01 56.86 2i8l n LEU 94 Cb 0.47 -0.23 0.74 0.00 -2.33 0.00 0.00 43.42 42.06 2i8l n LEU 94 CO 0.70 -0.23 1.18 -0.55 -1.33 0.00 0.00 177.39 177.15 2i8l h ASN 95 N 0.00 0.00 -0.32 -1.43 7.08 -1.87 -0.84 115.58 118.20 2i8l h ASN 95 Ca 0.00 0.00 0.03 0.00 -3.08 0.00 0.00 56.30 53.25 2i8l h ASN 95 Cb 0.38 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.61 2i8l h ASN 95 CO 0.00 0.00 0.22 0.10 -2.08 0.00 0.00 177.43 175.67 2i8l h TYR 96 N 0.00 0.32 0.12 4.14 -0.00 -1.82 -0.52 116.97 119.22 2i8l h TYR 96 Ca 0.18 0.01 -0.18 0.00 0.00 0.00 0.00 58.73 58.74 2i8l h TYR 96 Cb 1.10 -0.11 0.02 0.00 0.00 0.00 0.00 36.73 37.74 2i8l h TYR 96 CO 0.00 0.19 -0.78 1.25 -0.00 0.00 0.00 178.16 178.82 2i8l h LEU 97 N 0.33 0.47 -0.80 0.10 6.46 -1.44 -3.31 115.31 117.13 2i8l h LEU 97 Ca 0.13 -0.93 0.05 0.00 -0.12 0.00 0.00 57.88 57.01 2i8l h LEU 97 Cb 0.11 -0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 39.84 2i8l h LEU 97 CO -0.03 1.37 0.49 0.40 -0.62 0.00 0.00 178.44 180.05 2i8l h ILE 98 N -0.35 1.05 -0.02 4.05 2.04 -1.35 -0.77 117.51 122.16 2i8l h ILE 98 Ca -0.13 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.42 2i8l h ILE 98 Cb 1.59 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 2i8l h ILE 98 CO 0.15 0.17 0.02 -0.78 0.00 0.00 0.00 178.15 177.71 2i8l h ASP 99 N 0.92 0.00 0.21 1.72 3.58 -1.22 0.13 116.42 121.76 2i8l h ASP 99 Ca 0.34 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.79 2i8l h ASP 99 Cb 0.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.17 2i8l h ASP 99 CO -0.16 0.00 -0.18 0.00 -2.88 0.00 0.00 179.24 176.02 2i8l n GLN 100 N -3.79 0.96 0.00 0.28 6.02 -0.30 -4.25 117.38 116.30 2i8l n GLN 100 Ca -0.03 -0.52 0.00 0.00 -0.01 0.00 0.00 57.00 56.44 2i8l n GLN 100 Cb 0.11 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.88 2i8l n GLN 100 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2i8l n LEU 101 N -0.56 0.22 0.33 1.08 7.99 -0.45 -4.77 117.00 120.84 2i8l n LEU 101 Ca 0.14 0.00 0.22 0.00 -0.01 0.00 0.00 56.01 56.36 2i8l n LEU 101 Cb 0.33 0.00 1.18 0.00 -0.11 0.00 0.00 43.42 44.83 2i8l n LEU 101 CO 0.24 0.04 1.18 0.07 -1.51 0.00 0.00 177.39 177.40 2i8l h LYS 102 N 0.00 0.00 0.00 3.23 2.10 -0.98 -0.16 116.57 120.75 2i8l h LYS 102 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2i8l h LYS 102 Cb 0.85 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.18 2i8l h LYS 102 CO 0.00 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 178.38 2i8l h GLU 103 N 0.00 0.00 0.00 0.07 5.08 -1.83 -3.38 114.58 114.52 2i8l h GLU 103 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2i8l h GLU 103 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2i8l h GLU 103 CO 0.00 0.00 0.00 -3.47 -1.00 0.00 0.00 179.01 174.54 2i8l n ASP 104 N -2.48 0.00 -4.76 1.42 2.03 -0.65 -5.06 116.55 107.06 2i8l n ASP 104 Ca 0.02 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.92 2i8l n ASP 104 Cb 0.24 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.61 2i8l n ASP 104 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2i8l s ILE 105 N -1.00 3.03 0.23 5.18 1.01 -0.17 -4.92 121.20 124.57 2i8l s ILE 105 Ca 0.00 0.99 -0.04 0.00 0.00 0.00 0.00 60.65 61.60 2i8l s ILE 105 Cb 0.00 -3.63 0.07 0.00 0.01 0.00 0.00 42.46 38.91 2i8l s ILE 105 CO 0.00 0.22 1.68 1.23 0.00 0.00 0.00 174.94 178.07 2i8l h GLY 106 N 3.93 0.88 -5.43 6.18 0.00 -1.29 -3.43 103.07 103.90 2i8l h GLY 106 Ca -0.47 -0.67 -0.15 0.00 0.00 0.00 0.00 47.33 46.03 2i8l h GLY 106 CO 0.68 0.62 -0.36 1.85 0.00 0.00 0.00 176.54 179.33 2i8l s GLU 107 N -4.79 0.35 -0.09 4.80 2.56 -1.08 -5.01 118.70 115.44 2i8l s GLU 107 Ca -0.10 0.48 0.01 0.00 0.00 0.00 0.00 54.97 55.36 2i8l s GLU 107 Cb 0.14 0.12 0.02 0.00 2.00 0.00 0.00 34.13 36.41 2i8l s GLU 107 CO 0.83 -0.07 -0.09 0.08 -0.56 0.00 0.00 175.26 175.45 2i8l s VAL 108 N 0.42 1.03 0.12 3.70 1.01 -1.26 -1.06 120.40 124.36 2i8l s VAL 108 Ca -0.02 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 61.67 2i8l s VAL 108 Cb -0.04 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 2i8l s VAL 108 CO -0.02 0.35 -0.13 -0.63 0.00 0.00 0.00 175.10 174.67 2i8l s ILE 109 N 1.26 1.27 0.03 2.22 1.01 -0.25 -4.91 121.20 121.83 2i8l s ILE 109 Ca -0.04 -1.72 0.06 0.00 0.00 0.00 0.00 60.65 58.96 2i8l s ILE 109 Cb -0.14 -1.52 -0.02 0.00 0.01 0.00 0.00 42.46 40.79 2i8l s ILE 109 CO -0.03 -0.45 -0.19 0.12 0.00 0.00 0.00 174.94 174.39 2i8l s PHE 110 N -2.22 1.69 -0.13 3.97 2.19 -1.15 -0.81 117.98 121.51 2i8l s PHE 110 Ca 0.09 -0.35 0.02 0.00 0.33 0.00 0.00 56.93 57.01 2i8l s PHE 110 Cb -0.04 -1.03 0.01 0.00 -1.31 0.00 0.00 43.02 40.65 2i8l s PHE 110 CO 0.03 0.05 -0.19 -1.17 1.83 0.00 0.00 175.22 175.77 2i8l s LEU 111 N -0.94 1.94 0.21 6.12 0.20 -0.37 -0.85 118.68 124.98 2i8l s LEU 111 Ca 0.07 -0.54 0.08 0.00 0.69 0.00 0.00 54.13 54.43 2i8l s LEU 111 Cb -0.08 -1.30 -0.04 0.00 -0.43 0.00 0.00 46.19 44.34 2i8l s LEU 111 CO 0.01 0.04 0.03 -0.83 -0.29 0.00 0.00 176.35 175.30 2i8l s GLY 112 N 0.99 1.67 -0.06 7.98 0.00 0.10 -3.29 107.32 114.72 2i8l s GLY 112 Ca -0.04 -1.45 -0.00 0.00 0.00 0.00 0.00 44.72 43.23 2i8l s GLY 112 CO -0.04 -1.48 -0.03 -0.42 0.00 0.00 0.00 173.10 171.13 2i8l s ILE 113 N -1.94 0.51 -0.07 0.90 1.01 -1.15 -1.42 121.20 119.04 2i8l s ILE 113 Ca 0.29 -0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.61 2i8l s ILE 113 Cb -0.08 -0.59 -0.06 0.00 0.01 0.00 0.00 42.46 41.74 2i8l s ILE 113 CO 0.20 0.25 1.79 -1.58 0.00 0.00 0.00 174.94 175.60 2i8l s GLN 114 N 1.41 4.00 0.92 2.79 2.00 -0.00 -0.56 119.66 130.22 2i8l s GLN 114 Ca -0.03 2.20 -0.13 0.00 -2.00 0.00 0.00 55.36 55.39 2i8l s GLN 114 Cb -0.13 -4.08 0.15 0.00 0.80 0.00 0.00 33.01 29.74 2i8l s GLN 114 CO -0.03 -1.08 1.17 -1.25 -0.50 0.00 0.00 175.29 173.60 2i8l s PRO 115 N 4.49 1.04 0.00 1.67 0.04 -1.26 -1.41 135.00 139.58 2i8l s PRO 115 Ca 0.80 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.97 2i8l s PRO 115 Cb -0.34 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2i8l s PRO 115 CO 0.33 -2.23 0.00 -3.47 0.04 0.00 0.00 177.00 171.67 2i8l n ASP 116 N -3.76 2.88 -3.93 6.66 2.03 -1.26 -4.57 116.55 114.60 2i8l n ASP 116 Ca 0.08 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.23 2i8l n ASP 116 Cb 0.60 0.24 -0.15 0.00 -0.72 0.00 0.00 41.12 41.09 2i8l n ASP 116 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2i8l s ILE 117 N -1.60 0.41 -0.03 5.18 -5.25 -1.26 -5.09 121.20 113.56 2i8l s ILE 117 Ca 0.00 -0.16 -0.01 0.00 -0.99 0.00 0.00 60.65 59.49 2i8l s ILE 117 Cb 0.00 -0.38 0.03 0.00 2.95 0.00 0.00 42.46 45.05 2i8l s ILE 117 CO 0.00 0.14 0.05 -0.69 -1.79 0.00 0.00 174.94 172.65 2i8l s VAL 118 N 0.24 -0.04 0.00 8.37 1.01 -1.26 -1.25 120.40 127.46 2i8l s VAL 118 Ca -0.02 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.12 2i8l s VAL 118 Cb -0.06 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.22 2i8l s VAL 118 CO -0.00 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.77 2i8l n GLY 119 N 3.95 3.01 3.77 4.51 0.00 -0.50 -4.94 105.19 114.99 2i8l n GLY 119 Ca -0.24 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 44.77 2i8l n GLY 119 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2i8l s PHE 120 N -2.00 2.67 -1.55 1.61 5.36 -1.26 -2.56 117.98 120.25 2i8l s PHE 120 Ca 0.00 1.55 -0.14 0.00 -0.96 0.00 0.00 56.93 57.37 2i8l s PHE 120 Cb 0.00 -3.20 0.10 0.00 -0.34 0.00 0.00 43.02 39.59 2i8l s PHE 120 CO 0.00 -1.60 0.85 0.98 -1.46 0.00 0.00 175.22 173.99 2i8l n TYR 121 N -1.98 -2.06 -4.56 10.12 9.36 0.36 -4.93 117.16 123.47 2i8l n TYR 121 Ca 0.11 0.80 -0.29 0.00 3.32 0.00 0.00 57.90 61.84 2i8l n TYR 121 Cb 0.52 -3.53 -0.14 0.00 -0.63 0.00 0.00 39.34 35.56 2i8l n TYR 121 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 2i8l s TYR 122 N -3.23 2.28 0.68 2.98 2.02 -0.42 -5.00 117.35 116.66 2i8l s TYR 122 Ca 0.65 -0.39 -0.10 0.00 -0.37 0.00 0.00 57.07 56.85 2i8l s TYR 122 Cb -0.33 -1.28 0.01 0.00 -0.40 0.00 0.00 41.96 39.95 2i8l s TYR 122 CO 0.79 0.26 1.06 -1.25 -1.57 0.00 0.00 175.55 174.84 2i8l s PRO 123 N -1.77 2.90 0.30 -1.71 0.04 -1.26 -1.80 135.00 131.71 2i8l s PRO 123 Ca 0.13 0.38 -0.29 0.00 0.04 0.00 0.00 61.00 61.26 2i8l s PRO 123 Cb -0.10 -2.07 -0.10 0.00 0.04 0.00 0.00 34.50 32.27 2i8l s PRO 123 CO 0.05 -0.95 1.14 1.41 0.04 0.00 0.00 177.00 178.69 2i8l s MET 124 N -5.28 4.53 0.59 4.56 -2.45 -1.24 -4.07 119.30 115.93 2i8l s MET 124 Ca 0.57 1.87 -0.10 0.00 -1.25 0.00 0.00 55.69 56.78 2i8l s MET 124 Cb -0.11 -3.10 -0.04 0.00 1.25 0.00 0.00 34.83 32.83 2i8l s MET 124 CO 0.50 0.09 0.99 0.95 1.05 0.00 0.00 175.02 178.60 2i8l s THR 125 N -1.20 4.74 0.19 10.11 -4.23 -1.26 -4.87 115.64 119.12 2i8l s THR 125 Ca 0.47 0.77 -0.13 0.00 -1.18 0.00 0.00 61.69 61.62 2i8l s THR 125 Cb -0.33 -3.86 0.15 0.00 1.34 0.00 0.00 72.50 69.79 2i8l s THR 125 CO 0.42 -1.08 1.67 -0.61 -0.54 0.00 0.00 174.62 174.49 2i8l h GLN 126 N -0.18 0.10 -0.00 3.99 -0.00 -1.99 -1.05 115.11 115.97 2i8l h GLN 126 Ca -0.45 -0.01 -0.08 0.00 -0.00 0.00 0.00 58.65 58.12 2i8l h GLN 126 Cb 1.19 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 28.64 2i8l h GLN 126 CO 0.62 0.07 -0.39 -1.00 0.00 0.00 0.00 178.83 178.13 2i8l h PRO 127 N 0.10 0.00 0.14 -2.39 0.13 -1.94 -0.52 132.00 127.52 2i8l h PRO 127 Ca 0.26 -0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 65.11 2i8l h PRO 127 Cb 0.41 -0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.55 2i8l h PRO 127 CO -0.45 0.39 -1.27 0.82 -0.23 0.00 0.00 178.00 177.26 2i8l h ILE 128 N 0.00 1.46 -0.40 -3.56 5.03 -1.78 -1.20 117.51 117.06 2i8l h ILE 128 Ca -0.00 -2.97 0.04 0.00 -0.12 0.00 0.00 64.86 61.81 2i8l h ILE 128 Cb 0.69 2.94 -0.04 0.00 -3.03 0.00 0.00 36.82 37.38 2i8l h ILE 128 CO 0.05 0.87 0.16 0.11 -0.68 0.00 0.00 178.15 178.66 2i8l h LYS 129 N 0.10 0.32 -0.69 2.37 1.57 -0.84 0.93 116.57 120.34 2i8l h LYS 129 Ca -0.15 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 2i8l h LYS 129 Cb 1.99 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 34.19 2i8l h LYS 129 CO 0.22 0.21 0.38 0.22 -0.57 0.00 0.00 179.45 179.91 2i8l h ASP 130 N 0.33 0.85 -0.14 0.86 3.58 -1.08 -0.90 116.42 119.94 2i8l h ASP 130 Ca 0.18 -0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 2i8l h ASP 130 Cb 0.14 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 2i8l h ASP 130 CO -0.16 0.70 0.07 0.00 -2.88 0.00 0.00 179.24 176.97 2i8l h ALA 131 N 1.19 0.17 -0.84 -0.78 0.00 -0.73 -0.00 119.26 118.26 2i8l h ALA 131 Ca 0.24 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.10 2i8l h ALA 131 Cb 0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2i8l h ALA 131 CO -0.04 -0.28 0.56 0.28 0.00 0.00 0.00 179.25 179.77 2i8l h VAL 132 N 0.11 1.22 0.00 0.00 2.07 -0.59 0.29 116.25 119.35 2i8l h VAL 132 Ca 0.05 -0.39 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 2i8l h VAL 132 Cb 0.09 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 2i8l h VAL 132 CO -0.01 0.21 -0.48 -0.08 0.02 0.00 0.00 177.57 177.24 2i8l h GLU 133 N 1.14 0.00 -0.18 1.57 4.81 -0.91 0.51 114.58 121.52 2i8l h GLU 133 Ca 0.31 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.47 2i8l h GLU 133 Cb -0.13 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.24 2i8l h GLU 133 CO -0.07 0.48 -0.16 1.15 -0.73 0.00 0.00 179.01 179.67 2i8l h THR 134 N 0.00 1.33 -0.32 0.32 2.02 -0.17 -1.90 112.91 114.20 2i8l h THR 134 Ca -0.00 -1.31 0.01 0.00 0.77 0.00 0.00 66.41 65.88 2i8l h THR 134 Cb 0.85 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 69.02 2i8l h THR 134 CO 0.06 0.39 0.18 0.58 0.37 0.00 0.00 175.52 177.11 2i8l h VAL 135 N 0.09 1.03 -0.51 3.16 2.07 -0.74 -0.46 116.25 120.89 2i8l h VAL 135 Ca 0.03 -0.13 0.10 0.00 0.82 0.00 0.00 66.70 67.52 2i8l h VAL 135 Cb 0.70 0.62 -0.08 0.00 -1.52 0.00 0.00 31.29 31.01 2i8l h VAL 135 CO 0.04 0.07 0.04 0.22 0.02 0.00 0.00 177.57 177.96 2i8l h TYR 136 N 0.37 0.04 -0.45 1.57 3.20 -0.86 -0.89 116.97 119.95 2i8l h TYR 136 Ca 0.12 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 2i8l h TYR 136 Cb 0.00 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 2i8l h TYR 136 CO -0.08 -0.08 0.14 1.96 -1.64 0.00 0.00 178.16 178.46 2i8l h GLN 137 N 0.16 0.70 0.00 1.82 4.20 -0.91 -3.07 115.11 118.02 2i8l h GLN 137 Ca 0.26 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 2i8l h GLN 137 Cb 0.38 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 2i8l h GLN 137 CO -0.40 0.68 -0.13 -0.09 -0.67 0.00 0.00 178.83 178.21 2i8l h ARG 138 N 0.60 0.00 -0.10 1.46 9.65 0.17 -2.41 114.38 123.74 2i8l h ARG 138 Ca 0.15 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 59.06 2i8l h ARG 138 Cb 0.26 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.84 2i8l h ARG 138 CO -0.00 0.13 0.16 -0.07 2.80 0.00 0.00 179.97 182.99 2i8l h LEU 139 N 0.00 0.00 -1.67 3.80 3.38 -1.11 -0.12 115.31 119.59 2i8l h LEU 139 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2i8l h LEU 139 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2i8l h LEU 139 CO 0.02 0.00 0.00 -0.08 0.09 0.00 0.00 178.44 178.47 2i8l h GLU 140 N 0.00 0.00 0.00 1.13 4.57 -1.60 -3.30 114.58 115.38 2i8l h GLU 140 Ca 0.05 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 2i8l h GLU 140 Cb 0.37 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 2i8l h GLU 140 CO -0.00 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.24 2i8l n GLY 141 N -0.25 -1.12 3.77 1.92 0.00 -0.37 -4.46 105.19 104.68 2i8l n GLY 141 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2i8l n GLY 141 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2i8l s TRP 142 N -0.10 2.64 -0.45 1.61 -0.00 -0.20 -4.68 118.94 117.76 2i8l s TRP 142 Ca 0.00 1.28 0.07 0.00 -0.00 0.00 0.00 56.10 57.45 2i8l s TRP 142 Cb 0.00 -3.88 0.24 0.00 -0.00 0.00 0.00 33.47 29.84 2i8l s TRP 142 CO 0.00 -2.66 0.72 -1.91 -0.00 0.00 0.00 176.95 173.11 2i8l n GLU 143 N 0.20 0.74 0.00 5.86 4.07 -1.26 -4.84 120.64 125.41 2i8l n GLU 143 Ca 0.03 -2.38 0.00 0.00 -0.06 0.00 0.00 57.16 54.75 2i8l n GLU 143 Cb 0.41 -1.36 0.00 0.00 -0.06 0.00 0.00 31.44 30.43 2i8l n GLU 143 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2i8l n GLY 144 N 1.59 1.32 2.80 8.31 0.00 -1.26 -4.60 105.19 113.36 2i8l n GLY 144 Ca 0.15 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 2i8l n GLY 144 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2i8l s ASN 145 N 0.00 1.14 0.00 1.61 3.84 -1.26 -5.02 114.94 115.25 2i8l s ASN 145 Ca 0.00 -1.00 0.00 0.00 0.21 0.00 0.00 52.86 52.07 2i8l s ASN 145 Cb 0.00 0.69 0.01 0.00 -0.55 0.00 0.00 41.25 41.40 2i8l s ASN 145 CO 0.00 -0.33 0.14 0.61 -2.79 0.00 0.00 177.10 174.73 2i8l n GLY 146 N 4.89 -0.03 0.00 1.21 0.00 -1.26 -4.71 105.19 105.29 2i8l n GLY 146 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2i8l n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i8l n GLY 147 N -0.56 0.95 3.63 -0.02 0.00 -1.26 -4.81 105.19 103.11 2i8l n GLY 147 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 2i8l n GLY 147 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2i8l s PHE 148 N -1.63 2.76 0.51 1.61 0.08 -1.26 -5.13 117.98 114.92 2i8l s PHE 148 Ca 0.00 -0.17 -0.19 0.00 0.12 0.00 0.00 56.93 56.69 2i8l s PHE 148 Cb 0.00 -1.34 -0.07 0.00 -0.57 0.00 0.00 43.02 41.03 2i8l s PHE 148 CO 0.00 0.52 1.04 0.00 -0.10 0.00 0.00 175.22 176.68 2i8l s ALA 149 N -1.73 2.84 -0.25 5.36 0.00 -1.26 -4.66 121.76 122.06 2i8l s ALA 149 Ca 0.27 0.56 -0.18 0.00 0.00 0.00 0.00 51.96 52.60 2i8l s ALA 149 Cb -0.09 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 2i8l s ALA 149 CO 0.17 -0.43 0.53 -1.14 0.00 0.00 0.00 175.76 174.89 2i8l s GLN 150 N -3.44 4.09 0.12 0.00 -0.44 -1.26 -0.67 119.66 118.06 2i8l s GLN 150 Ca 0.66 0.36 -0.31 0.00 -2.50 0.00 0.00 55.36 53.57 2i8l s GLN 150 Cb -0.16 -3.64 -0.11 0.00 -1.64 0.00 0.00 33.01 27.46 2i8l s GLN 150 CO 0.24 -0.34 1.83 -0.11 0.50 0.00 0.00 175.29 177.42 2i8l n LEU 151 N 5.48 4.01 0.00 3.68 7.94 -0.12 -4.81 117.00 133.17 2i8l n LEU 151 Ca -0.04 0.99 0.00 0.00 -1.11 0.00 0.00 56.01 55.85 2i8l n LEU 151 Cb 0.50 -1.54 0.00 0.00 0.53 0.00 0.00 43.42 42.91 2i8l n LEU 151 CO 0.41 0.16 -0.00 0.00 -1.11 0.00 0.00 177.39 176.84 2i8l n ALA 152 N 5.58 2.76 0.11 1.96 0.00 -1.26 -4.90 120.51 124.76 2i8l n ALA 152 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2i8l n ALA 152 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 2i8l n ALA 152 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2i8l n VAL 153 N -2.26 0.00 -2.77 0.00 0.24 -1.26 -5.03 118.33 107.24 2i8l n VAL 153 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 2i8l n VAL 153 Cb 0.00 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.37 2i8l n VAL 153 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2i8l n GLU 154 N -2.95 -2.68 -1.25 7.34 4.71 -1.26 -4.80 120.64 119.74 2i8l n GLU 154 Ca 0.00 0.41 0.03 0.00 -0.01 0.00 0.00 57.16 57.59 2i8l n GLU 154 Cb 0.00 -5.01 0.02 0.00 -1.01 0.00 0.00 31.44 25.44 2i8l n GLU 154 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2i8l n GLU 155 N -3.02 0.04 0.00 3.49 1.02 -1.26 -5.16 120.64 115.74 2i8l n GLU 155 Ca -0.07 -1.81 0.00 0.00 -0.02 0.00 0.00 57.16 55.26 2i8l n GLU 155 Cb 0.56 -0.15 0.00 0.00 -0.02 0.00 0.00 31.44 31.83 2i8l n GLU 155 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70