#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 1.20 -0.32 1.12 2.01 -1.26 -4.97 115.64 113.42 2i8l s THR 2 Ca 0.00 -0.60 -0.02 0.00 0.31 0.00 0.00 61.69 61.38 2i8l s THR 2 Cb 0.00 -1.04 0.11 0.00 0.01 0.00 0.00 72.50 71.58 2i8l s THR 2 CO 0.00 0.35 0.15 -0.62 -0.69 0.00 0.00 174.62 173.81 2i8l s ASP 3 N 0.04 3.49 0.15 3.53 2.15 -1.26 -0.61 116.67 124.16 2i8l s ASP 3 Ca -0.02 -1.68 -0.17 0.00 0.43 0.00 0.00 52.55 51.10 2i8l s ASP 3 Cb -0.10 -0.50 -0.07 0.00 -0.30 0.00 0.00 42.92 41.95 2i8l s ASP 3 CO 0.01 -0.39 0.62 -0.69 -0.17 0.00 0.00 175.17 174.55 2i8l s VAL 4 N 1.62 4.72 -0.32 1.11 1.01 -0.55 -1.43 120.40 126.56 2i8l s VAL 4 Ca 0.12 1.09 -0.03 0.00 0.00 0.00 0.00 61.98 63.16 2i8l s VAL 4 Cb -0.19 -3.82 0.05 0.00 0.00 0.00 0.00 36.38 32.43 2i8l s VAL 4 CO -0.22 0.31 0.05 -0.22 0.00 0.00 0.00 175.10 175.02 2i8l s LEU 5 N -1.75 4.18 -0.51 3.92 2.96 -0.65 -1.39 118.68 125.44 2i8l s LEU 5 Ca 0.37 -1.34 -0.17 0.00 -0.22 0.00 0.00 54.13 52.78 2i8l s LEU 5 Cb -0.17 -1.77 0.09 0.00 0.50 0.00 0.00 46.19 44.85 2i8l s LEU 5 CO 0.20 -0.31 0.51 -0.22 -1.32 0.00 0.00 176.35 175.21 2i8l s LEU 6 N 1.28 5.61 0.29 -0.68 2.96 0.22 -0.76 118.68 127.59 2i8l s LEU 6 Ca -0.03 -1.38 -0.28 0.00 -0.22 0.00 0.00 54.13 52.22 2i8l s LEU 6 Cb -0.20 -2.26 -0.09 0.00 0.50 0.00 0.00 46.19 44.14 2i8l s LEU 6 CO -0.00 -0.82 1.01 0.00 -1.32 0.00 0.00 176.35 175.21 2i8l s VAL 8 N -1.32 0.02 0.00 0.00 1.01 -0.53 -0.90 120.40 118.67 2i8l s VAL 8 Ca 0.46 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.30 2i8l s VAL 8 Cb -0.26 -0.09 0.00 0.00 0.00 0.00 0.00 36.38 36.03 2i8l s VAL 8 CO 0.33 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.96 2i8l n GLY 9 N 2.81 0.72 3.09 4.51 0.00 -0.16 -2.29 105.19 113.89 2i8l n GLY 9 Ca -0.14 -1.48 -0.32 0.00 0.00 0.00 0.00 46.02 44.08 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 0.00 3.69 0.02 1.61 3.84 -0.93 -2.55 114.94 120.62 2i8l s ASN 10 Ca 0.00 -0.97 0.11 0.00 0.21 0.00 0.00 52.86 52.20 2i8l s ASN 10 Cb 0.00 -1.50 0.46 0.00 -0.55 0.00 0.00 41.25 39.66 2i8l s ASN 10 CO 0.00 -0.08 1.33 -1.20 -2.79 0.00 0.00 177.10 174.36 2i8l n SER 11 N 4.54 0.05 -0.14 -4.21 7.64 -1.26 -2.19 113.62 118.05 2i8l n SER 11 Ca -0.18 0.52 0.02 0.00 1.01 0.00 0.00 58.87 60.23 2i8l n SER 11 Cb 0.47 -0.53 0.02 0.00 -1.01 0.00 0.00 64.21 63.16 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 -1.56 0.15 -1.15 1.43 0.00 -1.26 -4.67 117.12 110.06 2i8l n MET 12 Ca 0.02 -0.88 -0.27 0.00 0.00 0.00 0.00 57.70 56.56 2i8l n MET 12 Cb 0.11 -1.06 0.06 0.00 0.00 0.00 0.00 33.22 32.33 2i8l n MET 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 175.97 175.85 2i8l n MET 13 N 0.10 2.33 0.00 3.17 0.00 -0.93 -0.78 117.12 121.01 2i8l n MET 13 Ca 0.02 -2.59 0.00 0.00 0.00 0.00 0.00 57.70 55.13 2i8l n MET 13 Cb 0.12 -2.01 0.00 0.00 0.00 0.00 0.00 33.22 31.33 2i8l n MET 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2i8l n GLY 14 N -0.41 4.03 0.32 -5.12 0.00 -0.82 -2.18 105.19 101.00 2i8l n GLY 14 Ca 0.50 0.13 0.22 0.00 0.00 0.00 0.00 46.02 46.86 2i8l n GLY 14 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2i8l h ASP 15 N 0.00 0.00 0.37 1.61 3.32 -1.87 -1.82 116.42 118.03 2i8l h ASP 15 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2i8l h ASP 15 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2i8l h ASP 15 CO 0.00 0.00 0.00 -0.67 -1.72 0.00 0.00 179.24 176.85 2i8l n ASP 16 N -3.03 0.40 -0.37 6.45 2.03 -0.93 -2.94 116.55 118.16 2i8l n ASP 16 Ca -0.02 0.63 0.00 0.00 0.52 0.00 0.00 54.79 55.92 2i8l n ASP 16 Cb 0.10 -0.70 0.00 0.00 -0.72 0.00 0.00 41.12 39.80 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 -0.60 0.52 0.15 0.27 0.00 -0.68 -2.20 105.19 102.64 2i8l n GLY 17 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 1.77 -0.28 0.55 4.61 0.00 -1.77 -0.50 119.26 123.63 2i8l h ALA 18 Ca 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2i8l h ALA 18 Cb 0.23 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.13 2i8l h ALA 18 CO 0.00 -0.63 -0.27 0.78 0.00 0.00 0.00 179.25 179.14 2i8l h GLY 19 N -0.35 -0.78 -0.02 0.00 0.00 -1.62 -1.88 103.07 98.43 2i8l h GLY 19 Ca -0.03 0.29 0.21 0.00 0.00 0.00 0.00 47.33 47.80 2i8l h GLY 19 CO 0.05 -0.28 0.53 -2.55 0.00 0.00 0.00 176.54 174.29 2i8l h PRO 20 N -0.77 0.58 -0.17 4.80 0.11 -1.71 0.14 132.00 134.98 2i8l h PRO 20 Ca -0.08 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.82 2i8l h PRO 20 Cb 0.58 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 2i8l h PRO 20 CO 0.13 0.39 -0.62 1.25 -0.21 0.00 0.00 178.00 178.94 2i8l h LEU 21 N 0.60 0.65 -0.01 2.35 5.85 -1.01 -1.08 115.31 122.67 2i8l h LEU 21 Ca 0.58 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 2i8l h LEU 21 Cb 1.01 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 2i8l h LEU 21 CO -0.44 1.11 0.00 0.25 -0.34 0.00 0.00 178.44 179.02 2i8l h LEU 22 N 0.43 0.01 -1.06 2.25 5.85 -0.35 -1.70 115.31 120.74 2i8l h LEU 22 Ca -0.01 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.68 2i8l h LEU 22 Cb 1.18 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.15 2i8l h LEU 22 CO 0.12 0.09 0.63 0.00 -0.34 0.00 0.00 178.44 178.94 2i8l h ALA 23 N 0.92 1.42 -0.05 1.25 0.00 -0.71 0.02 119.26 122.11 2i8l h ALA 23 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2i8l h ALA 23 Cb 0.09 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2i8l h ALA 23 CO -0.00 0.45 0.02 1.49 0.00 0.00 0.00 179.25 181.21 2i8l h GLU 24 N 1.15 0.07 -0.48 0.00 4.57 -0.96 0.73 114.58 119.65 2i8l h GLU 24 Ca 0.41 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.56 2i8l h GLU 24 Cb 0.13 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 2i8l h GLU 24 CO -0.15 0.15 0.24 0.87 -1.18 0.00 0.00 179.01 178.93 2i8l h LYS 25 N -0.03 0.68 -0.60 1.92 1.57 -0.81 -0.72 116.57 118.59 2i8l h LYS 25 Ca 0.02 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 2i8l h LYS 25 Cb 0.10 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 2i8l h LYS 25 CO -0.00 0.57 0.21 0.00 -0.57 0.00 0.00 179.45 179.66 2i8l h ALA 27 N 1.07 1.08 -0.26 0.00 0.00 -0.55 -1.63 119.26 118.96 2i8l h ALA 27 Ca 0.20 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2i8l h ALA 27 Cb 0.25 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2i8l h ALA 27 CO -0.01 0.65 -0.39 0.00 0.00 0.00 0.00 179.25 179.50 2i8l h ALA 28 N 1.21 0.83 -1.24 0.00 0.00 -0.86 -3.42 119.26 115.78 2i8l h ALA 28 Ca 0.26 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 2i8l h ALA 28 Cb 0.22 -0.11 -0.22 0.00 0.00 0.00 0.00 17.79 17.67 2i8l h ALA 28 CO -0.02 0.65 -0.50 0.00 0.00 0.00 0.00 179.25 179.38 2i8l s ALA 29 N -4.29 -1.90 1.01 0.00 0.00 -0.42 -5.10 121.76 111.07 2i8l s ALA 29 Ca -0.08 0.04 -0.13 0.00 0.00 0.00 0.00 51.96 51.79 2i8l s ALA 29 Cb 0.12 -2.54 0.12 0.00 0.00 0.00 0.00 23.12 20.83 2i8l s ALA 29 CO 0.83 -2.14 0.63 -2.30 0.00 0.00 0.00 175.76 172.78 2i8l n PRO 30 N 4.53 -0.94 -4.38 0.00 -0.02 -0.64 -4.34 135.00 129.21 2i8l n PRO 30 Ca 0.10 -0.23 -0.20 0.00 -2.02 0.00 0.00 63.50 61.14 2i8l n PRO 30 Cb 0.54 -2.02 -0.09 0.00 -0.02 0.00 0.00 33.50 31.90 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 -4.00 1.66 0.04 -0.52 -0.14 -1.26 -5.05 119.74 110.47 2i8l s LYS 31 Ca 0.61 -1.96 0.00 0.00 -1.36 0.00 0.00 55.97 53.27 2i8l s LYS 31 Cb -0.21 -0.29 0.00 0.00 -1.68 0.00 0.00 37.83 35.65 2i8l s LYS 31 CO 0.64 -0.42 0.00 0.41 -0.76 0.00 0.00 175.35 175.22 2i8l n GLY 32 N -0.65 2.35 2.61 -3.33 0.00 -1.23 -3.46 105.19 101.48 2i8l n GLY 32 Ca -0.01 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 1.49 1.30 -4.79 1.61 5.15 -1.26 -5.06 115.26 113.69 2i8l n ASN 33 Ca 0.00 -2.03 -0.29 0.00 -0.60 0.00 0.00 54.58 51.66 2i8l n ASN 33 Cb 0.00 -0.38 0.12 0.00 -0.53 0.00 0.00 39.78 38.99 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 -2.99 2.61 -0.29 1.20 0.52 -1.22 -4.62 118.94 114.13 2i8l s TRP 34 Ca 0.27 0.95 0.03 0.00 0.02 0.00 0.00 56.10 57.37 2i8l s TRP 34 Cb 0.33 -3.31 0.08 0.00 -1.15 0.00 0.00 33.47 29.43 2i8l s TRP 34 CO -0.06 -2.19 -0.04 0.08 0.02 0.00 0.00 176.95 174.76 2i8l s VAL 35 N -3.24 2.17 0.26 4.03 1.01 -0.52 -4.97 120.40 119.15 2i8l s VAL 35 Ca 0.63 -1.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.39 2i8l s VAL 35 Cb -0.15 -2.43 -0.09 0.00 0.00 0.00 0.00 36.38 33.71 2i8l s VAL 35 CO 0.54 -0.28 1.24 -0.69 0.00 0.00 0.00 175.10 175.90 2i8l s VAL 36 N 1.03 3.17 0.04 2.92 1.01 -1.26 -1.63 120.40 125.68 2i8l s VAL 36 Ca -0.00 1.09 0.03 0.00 0.00 0.00 0.00 61.98 63.09 2i8l s VAL 36 Cb -0.19 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 2i8l s VAL 36 CO -0.07 0.22 -0.09 -0.63 0.00 0.00 0.00 175.10 174.53 2i8l s ILE 37 N -0.65 0.67 -0.21 2.22 -1.09 0.06 -4.91 121.20 117.28 2i8l s ILE 37 Ca 0.50 -0.99 -0.01 0.00 -2.23 0.00 0.00 60.65 57.92 2i8l s ILE 37 Cb -0.36 -0.68 0.06 0.00 -1.58 0.00 0.00 42.46 39.90 2i8l s ILE 37 CO 0.43 -0.25 -0.00 -0.62 -1.23 0.00 0.00 174.94 173.27 2i8l s ASP 38 N -1.36 3.34 0.00 3.58 2.15 -1.26 -0.94 116.67 122.17 2i8l s ASP 38 Ca -0.06 -0.99 0.29 0.00 0.43 0.00 0.00 52.55 52.22 2i8l s ASP 38 Cb -0.09 -0.85 1.35 0.00 -0.30 0.00 0.00 42.92 43.03 2i8l s ASP 38 CO 0.01 -0.28 1.92 0.61 -0.17 0.00 0.00 175.17 177.26 2i8l n GLY 39 N 4.88 -0.65 7.00 2.66 0.00 -0.08 -4.97 105.19 114.03 2i8l n GLY 39 Ca -0.10 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 1.17 1.64 0.57 -0.02 0.00 -1.26 -3.35 105.19 103.94 2i8l n GLY 40 Ca 0.18 -0.54 0.13 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.43 1.91 -3.18 1.61 3.41 -1.06 -0.99 113.62 113.90 2i8l n SER 41 Ca 0.00 -1.52 -0.23 0.00 -0.26 0.00 0.00 58.87 56.86 2i8l n SER 41 Cb 0.00 0.10 -0.07 0.00 -0.26 0.00 0.00 64.21 63.99 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 0.31 2.30 0.30 7.33 0.00 -1.24 -4.86 120.51 124.65 2i8l n ALA 42 Ca 0.15 -3.33 0.08 0.00 0.00 0.00 0.00 53.44 50.33 2i8l n ALA 42 Cb 0.44 -0.83 0.36 0.00 0.00 0.00 0.00 19.45 19.43 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 1.42 0.09 -0.33 0.00 -0.04 -1.21 -1.94 135.00 132.99 2i8l n PRO 43 Ca 0.21 0.43 0.22 0.00 -0.04 0.00 0.00 63.50 64.31 2i8l n PRO 43 Cb 0.53 -1.71 0.44 0.00 -0.04 0.00 0.00 33.50 32.72 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 0.27 0.00 0.54 4.57 -1.95 -0.14 114.58 117.87 2i8l h GLU 44 Ca 0.00 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 2i8l h GLU 44 Cb 0.19 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.72 2i8l h GLU 44 CO 0.00 0.18 -0.05 -2.95 -1.18 0.00 0.00 179.01 175.01 2i8l h ASN 45 N 0.28 0.00 -0.01 1.04 7.08 -1.73 -3.18 115.58 119.06 2i8l h ASN 45 Ca 0.70 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.92 2i8l h ASN 45 Cb 1.57 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.81 2i8l h ASN 45 CO -0.63 0.05 -0.07 -0.67 -2.08 0.00 0.00 177.43 174.03 2i8l n ASP 46 N -3.56 1.32 -0.32 6.14 2.03 -0.09 -4.52 116.55 117.55 2i8l n ASP 46 Ca -0.02 -1.16 0.18 0.00 0.52 0.00 0.00 54.79 54.30 2i8l n ASP 46 Cb 0.16 0.22 0.43 0.00 -0.72 0.00 0.00 41.12 41.21 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 1.12 0.64 -0.99 5.18 2.04 -1.47 -0.12 117.51 123.92 2i8l h ILE 47 Ca 0.00 -0.19 0.09 0.00 1.00 0.00 0.00 64.86 65.76 2i8l h ILE 47 Cb 0.27 0.03 -0.08 0.00 -0.74 0.00 0.00 36.82 36.31 2i8l h ILE 47 CO 0.00 0.10 0.62 0.58 0.00 0.00 0.00 178.15 179.46 2i8l h VAL 48 N 0.56 1.00 -0.39 1.67 2.07 -1.82 -0.27 116.25 119.07 2i8l h VAL 48 Ca 0.56 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.64 2i8l h VAL 48 Cb 1.16 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2i8l h VAL 48 CO -0.31 0.19 -0.04 0.00 0.02 0.00 0.00 177.57 177.43 2i8l h ALA 49 N 1.49 0.53 -0.82 1.67 0.00 -1.34 -2.49 119.26 118.31 2i8l h ALA 49 Ca 0.46 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2i8l h ALA 49 Cb 0.33 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2i8l h ALA 49 CO -0.22 0.35 0.39 0.82 0.00 0.00 0.00 179.25 180.58 2i8l h ILE 50 N 0.53 1.25 0.00 0.00 2.04 -1.22 -1.59 117.51 118.52 2i8l h ILE 50 Ca 0.10 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.25 2i8l h ILE 50 Cb 0.54 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2i8l h ILE 50 CO 0.03 0.31 0.00 0.03 0.00 0.00 0.00 178.15 178.51 2i8l h ARG 51 N 1.16 0.00 -0.30 2.37 3.08 -0.76 -0.82 114.38 119.12 2i8l h ARG 51 Ca 0.28 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.22 2i8l h ARG 51 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2i8l h ARG 51 CO -0.03 0.00 -0.23 0.93 -1.07 0.00 0.00 179.97 179.57 2i8l h GLU 52 N 0.00 0.69 0.00 0.04 5.08 -0.85 -3.28 114.58 116.26 2i8l h GLU 52 Ca 0.00 -0.34 -0.08 0.00 -1.00 0.00 0.00 59.36 57.95 2i8l h GLU 52 Cb 0.28 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2i8l h GLU 52 CO 0.00 0.94 -0.36 -0.07 -1.00 0.00 0.00 179.01 178.52 2i8l h LEU 53 N 0.44 0.00 -3.92 1.33 3.38 -1.11 -3.48 115.31 111.95 2i8l h LEU 53 Ca 0.06 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.47 2i8l h LEU 53 Cb 0.78 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 2i8l h LEU 53 CO 0.06 0.36 -0.93 0.54 0.09 0.00 0.00 178.44 178.56 2i8l n ARG 54 N -3.49 -0.30 -1.53 1.13 1.74 -0.74 -4.84 116.66 108.63 2i8l n ARG 54 Ca -0.00 0.02 -0.37 0.00 -0.77 0.00 0.00 57.85 56.73 2i8l n ARG 54 Cb 0.51 -2.13 0.06 0.00 -1.02 0.00 0.00 32.46 29.89 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 -4.67 0.74 -0.01 5.56 -0.02 -1.26 -4.93 135.00 130.40 2i8l n PRO 55 Ca -0.11 0.30 -0.11 0.00 -2.02 0.00 0.00 63.50 61.56 2i8l n PRO 55 Cb 0.51 -2.17 0.02 0.00 -0.02 0.00 0.00 33.50 31.84 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 0.19 1.31 -3.56 3.45 2.02 -1.19 -3.34 112.91 111.80 2i8l h THR 56 Ca -0.48 -1.83 -0.10 0.00 0.77 0.00 0.00 66.41 64.76 2i8l h THR 56 Cb 1.36 1.79 -0.17 0.00 -1.74 0.00 0.00 68.15 69.39 2i8l h THR 56 CO 0.49 0.58 -0.36 -0.60 0.37 0.00 0.00 175.52 176.00 2i8l s ARG 57 N -3.97 0.75 -0.07 6.66 3.52 -0.96 -1.19 118.95 123.69 2i8l s ARG 57 Ca -0.08 -0.67 -0.05 0.00 -0.13 0.00 0.00 55.73 54.80 2i8l s ARG 57 Cb 0.11 0.31 0.03 0.00 -1.56 0.00 0.00 34.95 33.83 2i8l s ARG 57 CO 0.86 -0.23 0.17 -1.17 -0.81 0.00 0.00 175.30 174.12 2i8l s LEU 58 N -2.24 1.09 -0.03 -0.88 2.96 -0.25 -1.48 118.68 117.85 2i8l s LEU 58 Ca -0.03 0.34 0.06 0.00 -0.22 0.00 0.00 54.13 54.29 2i8l s LEU 58 Cb 0.00 0.53 -0.01 0.00 0.50 0.00 0.00 46.19 47.21 2i8l s LEU 58 CO -0.05 -0.09 -0.23 -0.22 -1.32 0.00 0.00 176.35 174.44 2i8l s LEU 59 N 0.51 2.03 0.03 -0.68 2.96 -0.48 -1.24 118.68 121.80 2i8l s LEU 59 Ca -0.03 -0.44 0.08 0.00 -0.22 0.00 0.00 54.13 53.52 2i8l s LEU 59 Cb -0.05 -1.21 -0.02 0.00 0.50 0.00 0.00 46.19 45.40 2i8l s LEU 59 CO -0.02 0.25 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.39 2i8l s ILE 60 N -0.34 1.89 -0.02 6.68 1.01 -0.14 -0.61 121.20 129.66 2i8l s ILE 60 Ca 0.03 -1.20 -0.01 0.00 0.00 0.00 0.00 60.65 59.47 2i8l s ILE 60 Cb -0.11 -1.61 0.02 0.00 0.01 0.00 0.00 42.46 40.78 2i8l s ILE 60 CO 0.01 0.36 0.05 -0.69 0.00 0.00 0.00 174.94 174.67 2i8l s VAL 61 N -0.72 -0.03 0.28 2.92 1.01 -0.64 -0.91 120.40 122.29 2i8l s VAL 61 Ca 0.09 0.12 -0.20 0.00 0.00 0.00 0.00 61.98 62.00 2i8l s VAL 61 Cb -0.09 -0.10 0.04 0.00 0.00 0.00 0.00 36.38 36.23 2i8l s VAL 61 CO 0.01 0.05 0.81 -0.62 0.00 0.00 0.00 175.10 175.35 2i8l s ASP 62 N 0.66 -0.15 0.68 3.32 2.15 -1.21 -1.45 116.67 120.68 2i8l s ASP 62 Ca -0.05 -0.73 -0.14 0.00 0.43 0.00 0.00 52.55 52.06 2i8l s ASP 62 Cb -0.08 0.70 0.01 0.00 -0.30 0.00 0.00 42.92 43.25 2i8l s ASP 62 CO -0.02 -1.33 1.10 0.00 -0.17 0.00 0.00 175.17 174.74 2i8l s ALA 63 N -3.22 2.46 -0.19 3.66 0.00 -1.26 -2.89 121.76 120.33 2i8l s ALA 63 Ca 0.13 0.42 -0.10 0.00 0.00 0.00 0.00 51.96 52.42 2i8l s ALA 63 Cb -0.05 -3.29 0.06 0.00 0.00 0.00 0.00 23.12 19.85 2i8l s ALA 63 CO 0.07 -1.34 0.46 0.99 0.00 0.00 0.00 175.76 175.94 2i8l s THR 64 N -2.55 -0.06 -1.20 0.00 2.01 0.33 -4.70 115.64 109.49 2i8l s THR 64 Ca 0.64 0.08 -0.20 0.00 0.31 0.00 0.00 61.69 62.53 2i8l s THR 64 Cb -0.19 -0.68 0.06 0.00 0.01 0.00 0.00 72.50 71.71 2i8l s THR 64 CO 0.46 0.03 1.64 -0.62 -0.69 0.00 0.00 174.62 175.44 2i8l s ASP 65 N 1.50 6.69 0.00 3.53 2.15 -1.26 -3.66 116.67 125.63 2i8l s ASP 65 Ca -0.09 -2.08 0.26 0.00 0.43 0.00 0.00 52.55 51.07 2i8l s ASP 65 Cb -0.08 -2.58 1.23 0.00 -0.30 0.00 0.00 42.92 41.19 2i8l s ASP 65 CO -0.14 -1.32 1.85 0.23 -0.17 0.00 0.00 175.17 175.63 2i8l n MET 66 N 8.58 0.23 -1.87 4.34 2.81 -1.26 -4.65 117.12 125.29 2i8l n MET 66 Ca 0.43 0.05 -0.09 0.00 -1.81 0.00 0.00 57.70 56.28 2i8l n MET 66 Cb 0.48 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.47 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 0.99 0.36 0.49 3.03 0.00 -1.26 -5.03 105.19 103.77 2i8l n GLY 67 Ca 0.10 -0.54 -0.03 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.22 0.00 -4.76 0.99 4.77 -1.26 -5.11 117.00 110.42 2i8l n LEU 68 Ca -0.10 -0.34 -0.40 0.00 -0.03 0.00 0.00 56.01 55.13 2i8l n LEU 68 Cb 0.49 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.51 2i8l n LEU 68 CO 0.13 -0.41 0.81 0.21 -1.33 0.00 0.00 177.39 176.79 2i8l s ASN 69 N -1.44 7.20 0.18 -1.43 2.47 -1.26 -4.99 114.94 115.67 2i8l s ASN 69 Ca 0.06 2.30 -0.31 0.00 0.42 0.00 0.00 52.86 55.33 2i8l s ASN 69 Cb -0.00 -2.63 -0.17 0.00 -1.45 0.00 0.00 41.25 37.00 2i8l s ASN 69 CO 0.04 -0.19 0.79 -2.65 -3.72 0.00 0.00 177.10 171.36 2i8l n PRO 70 N 1.11 0.40 -0.94 0.43 -0.02 -1.26 -1.82 135.00 132.90 2i8l n PRO 70 Ca -0.01 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2i8l n PRO 70 Cb 0.45 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.57 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 0.72 3.76 -1.23 0.00 -0.56 -4.88 105.19 104.79 2i8l n GLY 71 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.21 3.29 -0.03 1.61 0.41 -0.76 -4.66 118.70 118.35 2i8l s GLU 72 Ca 0.00 1.88 0.04 0.00 -0.41 0.00 0.00 54.97 56.47 2i8l s GLU 72 Cb 0.00 -2.16 -0.00 0.00 -1.78 0.00 0.00 34.13 30.19 2i8l s GLU 72 CO 0.00 -0.96 -0.13 0.42 -0.49 0.00 0.00 175.26 174.10 2i8l s ILE 73 N -1.53 1.11 0.01 -1.63 1.01 -1.26 -0.88 121.20 118.02 2i8l s ILE 73 Ca 0.71 -0.55 -0.09 0.00 0.00 0.00 0.00 60.65 60.73 2i8l s ILE 73 Cb -0.31 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.21 2i8l s ILE 73 CO 0.36 0.33 0.18 -0.13 0.00 0.00 0.00 174.94 175.67 2i8l s ARG 74 N 0.04 0.56 0.35 2.79 1.81 -0.70 -4.49 118.95 119.32 2i8l s ARG 74 Ca -0.02 -0.43 -0.26 0.00 -1.72 0.00 0.00 55.73 53.30 2i8l s ARG 74 Cb -0.09 0.24 -0.09 0.00 -0.45 0.00 0.00 34.95 34.55 2i8l s ARG 74 CO 0.01 -0.15 1.04 0.42 -0.68 0.00 0.00 175.30 175.95 2i8l s ILE 75 N -1.67 3.75 0.21 1.52 -1.09 -0.06 -0.94 121.20 122.92 2i8l s ILE 75 Ca -0.12 1.47 0.02 0.00 -2.23 0.00 0.00 60.65 59.79 2i8l s ILE 75 Cb -0.06 -3.82 -0.05 0.00 -1.58 0.00 0.00 42.46 36.96 2i8l s ILE 75 CO 0.01 0.13 0.02 -0.63 -1.23 0.00 0.00 174.94 173.24 2i8l s ILE 76 N -1.52 0.76 0.02 2.92 1.01 -0.16 -0.75 121.20 123.49 2i8l s ILE 76 Ca 0.53 -2.00 0.02 0.00 0.00 0.00 0.00 60.65 59.20 2i8l s ILE 76 Cb -0.24 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.93 2i8l s ILE 76 CO 0.30 -0.34 -0.07 -0.62 0.00 0.00 0.00 174.94 174.21 2i8l s ASP 77 N -3.24 0.81 0.58 3.58 -1.08 -1.26 -3.31 116.67 112.75 2i8l s ASP 77 Ca 0.28 -0.37 0.28 0.00 -0.52 0.00 0.00 52.55 52.22 2i8l s ASP 77 Cb 0.06 -0.01 1.53 0.00 -1.46 0.00 0.00 42.92 43.04 2i8l s ASP 77 CO 0.07 -0.09 1.99 1.55 0.52 0.00 0.00 175.17 179.22 2i8l h PRO 78 N 5.11 0.00 0.00 4.34 0.13 -1.96 0.40 132.00 140.02 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 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2i8l h PRO 78 CO 0.44 0.00 -0.04 0.22 -0.23 0.00 0.00 178.00 178.39 2i8l h ASP 79 N 0.00 0.00 0.00 1.44 3.58 -1.99 -3.27 116.42 116.18 2i8l h ASP 79 Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2i8l h ASP 79 Cb 0.89 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.94 2i8l h ASP 79 CO -0.00 0.04 -0.98 -0.67 -2.88 0.00 0.00 179.24 174.75 2i8l n ASP 80 N -3.23 4.90 -0.35 2.28 2.03 -0.03 -4.53 116.55 117.61 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 0.24 0.56 0.33 0.00 -0.72 0.00 0.00 41.12 41.53 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 0.70 -0.44 5.18 2.04 -1.21 -0.49 117.51 123.29 2i8l h ILE 81 Ca 0.00 -0.26 0.13 0.00 1.00 0.00 0.00 64.86 65.73 2i8l h ILE 81 Cb 0.84 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 2i8l h ILE 81 CO 0.00 0.14 0.35 0.00 0.00 0.00 0.00 178.15 178.64 2i8l h ALA 82 N 1.64 2.31 0.00 1.87 0.00 -1.79 -0.10 119.26 123.19 2i8l h ALA 82 Ca 0.58 -0.02 -0.41 0.00 0.00 0.00 0.00 54.91 55.07 2i8l h ALA 82 Cb 0.91 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 2i8l h ALA 82 CO -0.37 -0.58 -2.45 0.39 0.00 0.00 0.00 179.25 176.24 2i8l n GLU 83 N -4.18 0.60 0.22 0.00 1.02 -0.70 -4.39 120.64 113.21 2i8l n GLU 83 Ca 0.08 0.19 0.08 0.00 -0.02 0.00 0.00 57.16 57.48 2i8l n GLU 83 Cb 0.55 -1.47 0.52 0.00 -0.02 0.00 0.00 31.44 31.01 2i8l n GLU 83 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 2i8l h MET 84 N -0.41 0.00 0.04 3.49 2.86 -0.68 -0.92 114.93 119.30 2i8l h MET 84 Ca -0.61 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 56.84 2i8l h MET 84 Cb 1.75 0.00 0.02 0.00 0.06 0.00 0.00 31.60 33.42 2i8l h MET 84 CO -0.22 0.25 -0.77 0.74 1.06 0.00 0.00 176.91 177.96 2i8l h PHE 85 N 0.00 0.70 0.00 -0.22 -1.00 -1.27 -3.27 116.94 111.88 2i8l h PHE 85 Ca -0.00 -0.41 0.00 0.00 2.81 0.00 0.00 57.97 60.37 2i8l h PHE 85 Cb 0.55 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 40.04 2i8l h PHE 85 CO 0.00 1.25 0.00 0.00 -1.61 0.00 0.00 178.31 177.95 2i8l h MET 86 N -0.05 0.00 -0.34 1.51 -0.00 -1.52 -2.71 114.93 111.83 2i8l h MET 86 Ca -0.11 0.00 0.10 0.00 -0.00 0.00 0.00 59.70 59.69 2i8l h MET 86 Cb 1.49 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.08 2i8l h MET 86 CO 0.15 0.00 0.31 1.98 -0.00 0.00 0.00 176.91 179.35 2i8l h MET 87 N 0.00 0.00 -0.15 -0.10 -1.53 -1.23 -0.83 114.93 111.10 2i8l h MET 87 Ca 0.00 0.00 0.01 0.00 -3.44 0.00 0.00 59.70 56.27 2i8l h MET 87 Cb 0.50 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.54 2i8l h MET 87 CO 0.00 0.00 0.10 1.79 0.14 0.00 0.00 176.91 178.94 2i8l h THR 88 N 0.00 1.01 0.00 -0.77 1.35 -1.65 -3.46 112.91 109.40 2i8l h THR 88 Ca 0.16 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.97 2i8l h THR 88 Cb 0.77 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 2i8l h THR 88 CO -0.00 0.03 0.00 0.41 -0.25 0.00 0.00 175.52 175.71 2i8l n THR 89 N -4.51 0.00 0.00 6.82 -1.04 -0.33 -4.91 114.28 110.31 2i8l n THR 89 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2i8l n THR 89 Cb 0.11 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.62 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 0.00 -1.04 0.00 -1.42 -0.00 -1.14 -4.92 115.22 106.70 2i8l n HIS 90 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2i8l n HIS 90 Cb 0.00 0.21 0.00 0.00 -0.00 0.00 0.00 29.99 30.20 2i8l n HIS 90 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 2i8l n ASN 91 N -1.90 0.00 -3.76 0.26 2.85 -1.25 -3.70 115.26 107.76 2i8l n ASN 91 Ca 0.00 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.34 2i8l n ASN 91 Cb 0.00 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 40.92 2i8l n ASN 91 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 2i8l s MET 92 N 0.00 0.44 -1.09 1.20 -1.94 -1.26 -5.06 119.30 111.59 2i8l s MET 92 Ca 0.00 0.35 -0.07 0.00 -1.71 0.00 0.00 55.69 54.26 2i8l s MET 92 Cb 0.00 0.21 -0.08 0.00 2.01 0.00 0.00 34.83 36.97 2i8l s MET 92 CO 0.00 -0.07 2.49 -0.35 -0.01 0.00 0.00 175.02 177.08 2i8l n PRO 93 N 2.61 2.63 0.15 2.03 -0.04 -1.26 -4.70 135.00 136.41 2i8l n PRO 93 Ca -0.15 -1.66 0.04 0.00 -0.04 0.00 0.00 63.50 61.69 2i8l n PRO 93 Cb 0.57 -2.52 0.21 0.00 -0.04 0.00 0.00 33.50 31.72 2i8l n PRO 93 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2i8l n LEU 94 N 3.82 0.20 0.12 1.53 4.77 -1.26 -1.93 117.00 124.25 2i8l n LEU 94 Ca 0.56 0.42 0.20 0.00 -0.03 0.00 0.00 56.01 57.16 2i8l n LEU 94 Cb 0.22 -0.32 0.74 0.00 -2.33 0.00 0.00 43.42 41.73 2i8l n LEU 94 CO 0.71 -0.49 1.17 -0.55 -1.33 0.00 0.00 177.39 176.90 2i8l h ASN 95 N 0.00 0.00 -0.36 -1.43 7.08 -1.88 -1.19 115.58 117.80 2i8l h ASN 95 Ca 0.00 0.00 0.02 0.00 -3.08 0.00 0.00 56.30 53.24 2i8l h ASN 95 Cb 0.87 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 37.09 2i8l h ASN 95 CO 0.00 0.00 0.24 0.10 -2.08 0.00 0.00 177.43 175.69 2i8l h TYR 96 N 0.00 0.38 -0.02 4.14 -0.00 -1.79 -0.99 116.97 118.70 2i8l h TYR 96 Ca 0.18 0.01 -0.22 0.00 0.00 0.00 0.00 58.73 58.70 2i8l h TYR 96 Cb 1.10 -0.13 0.02 0.00 0.00 0.00 0.00 36.73 37.72 2i8l h TYR 96 CO 0.00 0.23 -0.84 1.25 -0.00 0.00 0.00 178.16 178.80 2i8l h LEU 97 N 0.40 0.76 -0.13 0.10 6.46 -1.49 -2.82 115.31 118.59 2i8l h LEU 97 Ca 0.15 -0.73 -0.00 0.00 -0.12 0.00 0.00 57.88 57.17 2i8l h LEU 97 Cb 0.09 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 39.78 2i8l h LEU 97 CO -0.03 1.39 0.07 0.40 -0.62 0.00 0.00 178.44 179.65 2i8l h ILE 98 N 0.21 1.08 0.00 4.05 2.04 -1.52 -2.57 117.51 120.80 2i8l h ILE 98 Ca -0.10 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 2i8l h ILE 98 Cb 1.51 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.59 2i8l h ILE 98 CO 0.17 0.08 -0.08 -0.78 0.00 0.00 0.00 178.15 177.53 2i8l h ASP 99 N 0.12 0.00 0.24 1.72 3.58 -1.23 0.21 116.42 121.06 2i8l h ASP 99 Ca 0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2i8l h ASP 99 Cb 0.06 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.11 2i8l h ASP 99 CO -0.01 0.08 -0.03 0.00 -2.88 0.00 0.00 179.24 176.40 2i8l n GLN 100 N -4.36 0.84 0.00 0.28 6.02 -0.99 -4.23 117.38 114.94 2i8l n GLN 100 Ca -0.03 -0.16 0.00 0.00 -0.01 0.00 0.00 57.00 56.80 2i8l n GLN 100 Cb 0.16 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.92 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 -0.94 0.00 0.32 1.08 4.77 -0.46 -4.78 117.00 117.00 2i8l n LEU 101 Ca 0.19 0.00 0.20 0.00 -0.03 0.00 0.00 56.01 56.36 2i8l n LEU 101 Cb 0.21 0.00 1.09 0.00 -2.33 0.00 0.00 43.42 42.39 2i8l n LEU 101 CO 0.21 0.00 1.17 0.07 -1.33 0.00 0.00 177.39 177.50 2i8l h LYS 102 N 0.00 0.00 0.00 3.23 2.10 -0.82 0.34 116.57 121.41 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 0.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 2i8l h LYS 102 CO 0.00 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.84 2i8l n GLU 103 N -3.29 0.05 0.00 0.07 1.02 -1.26 -4.26 120.64 112.97 2i8l n GLU 103 Ca -0.02 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 2i8l n GLU 103 Cb 0.13 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 2i8l n GLU 103 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2i8l n ASP 104 N -1.69 1.03 -4.76 1.62 2.03 -0.48 -5.06 116.55 109.24 2i8l n ASP 104 Ca 0.04 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.95 2i8l n ASP 104 Cb 0.24 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.59 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 -1.51 3.42 0.17 5.18 1.01 -0.01 -4.92 121.20 124.54 2i8l s ILE 105 Ca 0.00 1.41 -0.10 0.00 0.00 0.00 0.00 60.65 61.96 2i8l s ILE 105 Cb 0.00 -3.89 0.05 0.00 0.01 0.00 0.00 42.46 38.63 2i8l s ILE 105 CO 0.00 0.32 1.63 1.23 0.00 0.00 0.00 174.94 178.12 2i8l h GLY 106 N 3.68 1.08 -5.48 6.18 0.00 -1.27 -3.43 103.07 103.83 2i8l h GLY 106 Ca -0.47 -0.78 -0.15 0.00 0.00 0.00 0.00 47.33 45.93 2i8l h GLY 106 CO 0.66 0.72 -0.37 1.85 0.00 0.00 0.00 176.54 179.40 2i8l s GLU 107 N -5.05 0.33 -0.08 4.80 2.56 -1.14 -5.02 118.70 115.11 2i8l s GLU 107 Ca -0.12 0.48 -0.00 0.00 0.00 0.00 0.00 54.97 55.33 2i8l s GLU 107 Cb 0.13 0.10 0.02 0.00 2.00 0.00 0.00 34.13 36.38 2i8l s GLU 107 CO 0.84 -0.08 -0.06 0.08 -0.56 0.00 0.00 175.26 175.49 2i8l s VAL 108 N 0.49 0.78 0.13 3.70 1.01 -1.26 -1.09 120.40 124.15 2i8l s VAL 108 Ca -0.03 -0.17 0.06 0.00 0.00 0.00 0.00 61.98 61.84 2i8l s VAL 108 Cb -0.04 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 2i8l s VAL 108 CO -0.03 0.31 -0.14 -0.63 0.00 0.00 0.00 175.10 174.62 2i8l s ILE 109 N 1.50 1.32 0.06 2.22 1.01 -0.38 -4.98 121.20 121.96 2i8l s ILE 109 Ca -0.01 -1.77 0.06 0.00 0.00 0.00 0.00 60.65 58.94 2i8l s ILE 109 Cb -0.13 -1.58 -0.03 0.00 0.01 0.00 0.00 42.46 40.73 2i8l s ILE 109 CO -0.04 -0.46 -0.17 0.12 0.00 0.00 0.00 174.94 174.39 2i8l s PHE 110 N -2.29 1.46 -0.06 3.97 2.19 -1.21 -0.97 117.98 121.07 2i8l s PHE 110 Ca 0.10 -0.39 0.02 0.00 0.33 0.00 0.00 56.93 56.99 2i8l s PHE 110 Cb -0.04 -0.85 0.01 0.00 -1.31 0.00 0.00 43.02 40.84 2i8l s PHE 110 CO 0.03 0.08 -0.12 -1.17 1.83 0.00 0.00 175.22 175.88 2i8l s LEU 111 N -1.40 1.64 0.22 6.12 0.20 -0.09 -0.99 118.68 124.38 2i8l s LEU 111 Ca 0.03 -0.29 0.10 0.00 0.69 0.00 0.00 54.13 54.66 2i8l s LEU 111 Cb -0.09 -0.80 -0.04 0.00 -0.43 0.00 0.00 46.19 44.83 2i8l s LEU 111 CO 0.02 0.03 -0.09 -0.83 -0.29 0.00 0.00 176.35 175.19 2i8l s GLY 112 N 0.64 1.73 -0.06 7.98 0.00 -0.11 -3.29 107.32 114.21 2i8l s GLY 112 Ca -0.14 -1.60 0.01 0.00 0.00 0.00 0.00 44.72 42.99 2i8l s GLY 112 CO 0.03 -1.65 -0.05 -0.42 0.00 0.00 0.00 173.10 171.02 2i8l s ILE 113 N -2.01 0.62 -0.12 0.90 1.01 -1.14 -1.72 121.20 118.74 2i8l s ILE 113 Ca 0.27 -0.14 -0.29 0.00 0.00 0.00 0.00 60.65 60.49 2i8l s ILE 113 Cb -0.07 -0.65 -0.05 0.00 0.01 0.00 0.00 42.46 41.70 2i8l s ILE 113 CO 0.16 0.26 1.69 -1.58 0.00 0.00 0.00 174.94 175.47 2i8l s GLN 114 N 1.10 3.98 1.01 2.79 2.00 -0.06 -0.51 119.66 129.97 2i8l s GLN 114 Ca -0.08 2.01 -0.16 0.00 -2.00 0.00 0.00 55.36 55.13 2i8l s GLN 114 Cb -0.14 -4.03 0.20 0.00 0.80 0.00 0.00 33.01 29.84 2i8l s GLN 114 CO -0.01 -1.09 1.19 -1.25 -0.50 0.00 0.00 175.29 173.64 2i8l s PRO 115 N 4.42 0.30 0.00 1.67 0.04 -1.26 -1.49 135.00 138.68 2i8l s PRO 115 Ca 0.75 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.73 2i8l s PRO 115 Cb -0.31 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2i8l s PRO 115 CO 0.30 -2.70 0.00 -3.47 0.04 0.00 0.00 177.00 171.17 2i8l n ASP 116 N -4.04 1.47 0.00 6.66 2.03 -1.26 -4.56 116.55 116.85 2i8l n ASP 116 Ca 0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.42 2i8l n ASP 116 Cb 0.59 0.16 0.00 0.00 -0.72 0.00 0.00 41.12 41.15 2i8l n ASP 116 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2i8l n ILE 117 N -0.90 0.16 -1.54 5.18 -6.64 -1.26 -5.11 119.36 109.25 2i8l n ILE 117 Ca 0.00 -0.27 -0.62 0.00 -1.77 0.00 0.00 62.75 60.09 2i8l n ILE 117 Cb 0.13 1.27 -0.09 0.00 -1.44 0.00 0.00 39.64 39.51 2i8l n ILE 117 CO 0.00 0.00 0.00 0.55 -1.77 0.00 0.00 176.55 175.33 2i8l n VAL 118 N -0.08 0.00 0.00 7.28 3.14 -1.26 -4.84 118.33 122.57 2i8l n VAL 118 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2i8l n VAL 118 Cb 0.26 -0.46 0.00 0.00 -1.06 0.00 0.00 33.84 32.58 2i8l n VAL 118 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2i8l n GLY 119 N 4.17 1.91 3.76 7.55 0.00 -1.13 -4.99 105.19 116.46 2i8l n GLY 119 Ca 0.32 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 2i8l n GLY 119 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2i8l s PHE 120 N -2.00 2.46 -1.42 1.61 0.08 -1.26 -2.59 117.98 114.85 2i8l s PHE 120 Ca 0.00 1.55 -0.10 0.00 0.12 0.00 0.00 56.93 58.50 2i8l s PHE 120 Cb 0.00 -3.33 0.04 0.00 -0.57 0.00 0.00 43.02 39.16 2i8l s PHE 120 CO 0.00 -1.98 1.03 0.66 -0.10 0.00 0.00 175.22 174.83 2i8l n TYR 121 N -2.04 -2.48 -4.26 0.36 4.01 0.04 -4.90 117.16 107.89 2i8l n TYR 121 Ca 0.12 0.95 -0.21 0.00 -0.16 0.00 0.00 57.90 58.60 2i8l n TYR 121 Cb 0.51 -4.50 -0.12 0.00 -0.31 0.00 0.00 39.34 34.92 2i8l n TYR 121 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 2i8l s TYR 122 N -3.35 1.58 0.61 -0.72 2.02 -1.13 -5.00 117.35 111.36 2i8l s TYR 122 Ca 0.52 -0.48 -0.13 0.00 -0.37 0.00 0.00 57.07 56.61 2i8l s TYR 122 Cb -0.25 -0.84 -0.04 0.00 -0.40 0.00 0.00 41.96 40.44 2i8l s TYR 122 CO 0.78 0.19 1.03 -1.25 -1.57 0.00 0.00 175.55 174.73 2i8l s PRO 123 N -2.31 3.48 0.27 -1.71 0.04 -1.26 -1.95 135.00 131.57 2i8l s PRO 123 Ca 0.08 0.94 -0.30 0.00 0.04 0.00 0.00 61.00 61.76 2i8l s PRO 123 Cb -0.07 -2.06 -0.10 0.00 0.04 0.00 0.00 34.50 32.30 2i8l s PRO 123 CO 0.04 -0.66 1.38 1.41 0.04 0.00 0.00 177.00 179.21 2i8l s MET 124 N -4.65 4.31 0.54 4.56 -2.45 -1.25 -4.30 119.30 116.05 2i8l s MET 124 Ca 0.58 2.25 -0.16 0.00 -1.25 0.00 0.00 55.69 57.11 2i8l s MET 124 Cb -0.12 -3.10 -0.06 0.00 1.25 0.00 0.00 34.83 32.79 2i8l s MET 124 CO 0.45 -0.33 1.01 0.95 1.05 0.00 0.00 175.02 178.16 2i8l s THR 125 N -0.38 4.25 0.23 10.11 -4.23 -1.26 -4.84 115.64 119.51 2i8l s THR 125 Ca 0.55 1.08 -0.09 0.00 -1.18 0.00 0.00 61.69 62.06 2i8l s THR 125 Cb -0.41 -3.59 0.21 0.00 1.34 0.00 0.00 72.50 70.06 2i8l s THR 125 CO 0.46 -0.61 1.67 -0.61 -0.54 0.00 0.00 174.62 174.99 2i8l h GLN 126 N 0.75 0.17 0.00 3.99 -0.00 -1.99 -1.14 115.11 116.89 2i8l h GLN 126 Ca -0.47 -0.01 -0.06 0.00 -0.00 0.00 0.00 58.65 58.11 2i8l h GLN 126 Cb 1.20 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 28.63 2i8l h GLN 126 CO 0.60 0.11 -0.28 -1.00 0.00 0.00 0.00 178.83 178.26 2i8l h PRO 127 N 0.18 0.00 0.11 -2.39 0.13 -1.94 -0.21 132.00 127.88 2i8l h PRO 127 Ca 0.36 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 65.21 2i8l h PRO 127 Cb 0.59 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.74 2i8l h PRO 127 CO -0.52 0.28 -1.20 0.82 -0.23 0.00 0.00 178.00 177.15 2i8l h ILE 128 N 0.00 1.36 -0.36 -3.56 5.03 -1.61 -1.13 117.51 117.23 2i8l h ILE 128 Ca -0.00 -2.63 0.04 0.00 -0.12 0.00 0.00 64.86 62.15 2i8l h ILE 128 Cb 0.57 2.73 -0.04 0.00 -3.03 0.00 0.00 36.82 37.05 2i8l h ILE 128 CO 0.04 0.79 0.14 0.11 -0.68 0.00 0.00 178.15 178.55 2i8l h LYS 129 N 0.21 0.30 -0.77 2.37 1.57 -0.75 0.77 116.57 120.27 2i8l h LYS 129 Ca -0.16 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 2i8l h LYS 129 Cb 1.88 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 34.09 2i8l h LYS 129 CO 0.22 0.20 0.44 0.22 -0.57 0.00 0.00 179.45 179.96 2i8l h ASP 130 N 0.31 0.94 -0.18 0.86 3.58 -1.04 -1.10 116.42 119.78 2i8l h ASP 130 Ca 0.16 -0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 2i8l h ASP 130 Cb 0.12 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 2i8l h ASP 130 CO -0.15 0.74 0.08 0.00 -2.88 0.00 0.00 179.24 177.03 2i8l h ALA 131 N 1.23 0.23 -0.89 -0.78 0.00 -0.69 -0.09 119.26 118.28 2i8l h ALA 131 Ca 0.27 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2i8l h ALA 131 Cb -0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 2i8l h ALA 131 CO -0.05 -0.19 0.58 0.28 0.00 0.00 0.00 179.25 179.88 2i8l h VAL 132 N 0.14 1.18 0.00 0.00 2.07 -0.60 0.29 116.25 119.33 2i8l h VAL 132 Ca 0.06 -0.40 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 2i8l h VAL 132 Cb 0.15 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 2i8l h VAL 132 CO -0.01 0.21 -0.37 -0.08 0.02 0.00 0.00 177.57 177.34 2i8l h GLU 133 N 1.16 0.00 -0.18 1.57 4.81 -0.93 0.12 114.58 121.13 2i8l h GLU 133 Ca 0.34 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.42 2i8l h GLU 133 Cb -0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.33 2i8l h GLU 133 CO -0.10 0.37 -0.49 1.15 -0.73 0.00 0.00 179.01 179.21 2i8l h THR 134 N 0.00 1.32 -0.53 0.32 2.02 0.14 -1.61 112.91 114.58 2i8l h THR 134 Ca -0.00 -1.73 -0.01 0.00 0.77 0.00 0.00 66.41 65.44 2i8l h THR 134 Cb 0.76 1.94 -0.03 0.00 -1.74 0.00 0.00 68.15 69.08 2i8l h THR 134 CO 0.05 0.54 0.30 0.58 0.37 0.00 0.00 175.52 177.36 2i8l h VAL 135 N 0.33 1.17 -0.50 3.16 2.07 -0.72 -0.73 116.25 121.03 2i8l h VAL 135 Ca -0.01 -0.40 0.08 0.00 0.82 0.00 0.00 66.70 67.19 2i8l h VAL 135 Cb 1.11 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.30 2i8l h VAL 135 CO 0.11 0.17 0.14 0.22 0.02 0.00 0.00 177.57 178.23 2i8l h TYR 136 N 0.70 0.23 -0.78 1.57 3.20 -0.93 -1.32 116.97 119.65 2i8l h TYR 136 Ca 0.19 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.05 2i8l h TYR 136 Cb 0.01 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 2i8l h TYR 136 CO -0.02 0.04 0.35 1.96 -1.64 0.00 0.00 178.16 178.85 2i8l h GLN 137 N 0.29 1.14 0.00 1.82 4.20 -0.87 -2.55 115.11 119.14 2i8l h GLN 137 Ca 0.25 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 2i8l h GLN 137 Cb 0.30 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 2i8l h GLN 137 CO -0.29 0.90 -0.01 0.00 -0.67 0.00 0.00 178.83 178.76 2i8l h ARG 138 N 1.11 0.00 -0.07 1.46 -0.00 -0.03 -2.32 114.38 114.51 2i8l h ARG 138 Ca 0.26 0.00 0.02 0.00 -0.50 0.00 0.00 59.98 59.77 2i8l h ARG 138 Cb 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.12 2i8l h ARG 138 CO -0.03 0.01 0.16 -0.07 0.00 0.00 0.00 179.97 180.04 2i8l h LEU 139 N 0.00 0.00 0.00 3.04 3.38 -0.94 0.22 115.31 121.01 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 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2i8l h LEU 139 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 178.44 179.74 2i8l n GLU 140 N -3.38 0.05 0.00 1.13 2.13 -0.87 -3.47 120.64 116.22 2i8l n GLU 140 Ca -0.01 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.83 2i8l n GLU 140 Cb 0.24 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.45 2i8l n GLU 140 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2i8l n GLY 141 N 1.34 0.91 3.74 8.31 0.00 -0.45 -4.72 105.19 114.33 2i8l n GLY 141 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2i8l n GLY 141 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2i8l n TRP 142 N 0.00 2.71 -1.29 1.61 -0.00 0.65 -4.85 117.44 116.26 2i8l n TRP 142 Ca 0.00 0.47 0.00 0.00 -0.00 0.00 0.00 57.50 57.98 2i8l n TRP 142 Cb 0.00 -2.49 0.01 0.00 -0.00 0.00 0.00 31.31 28.82 2i8l n TRP 142 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 2i8l n GLU 143 N 0.63 0.27 0.00 5.87 -0.58 -1.26 -4.94 120.64 120.63 2i8l n GLU 143 Ca 0.03 -0.85 0.00 0.00 -0.42 0.00 0.00 57.16 55.92 2i8l n GLU 143 Cb 0.37 -0.58 0.00 0.00 -0.57 0.00 0.00 31.44 30.66 2i8l n GLU 143 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2i8l n GLY 144 N -0.10 1.40 0.00 0.62 0.00 -1.26 -4.99 105.19 100.86 2i8l n GLY 144 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2i8l n GLY 144 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2i8l n ASN 145 N 0.00 1.59 -0.58 1.61 2.85 -1.26 -5.03 115.26 114.44 2i8l n ASN 145 Ca 0.00 0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.40 2i8l n ASN 145 Cb 0.00 0.22 -0.03 0.00 1.24 0.00 0.00 39.78 41.21 2i8l n ASN 145 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2i8l n GLY 146 N 1.11 0.69 2.14 8.20 0.00 -1.26 -1.76 105.19 114.30 2i8l n GLY 146 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.45 0.84 3.79 -0.02 0.00 -1.26 -4.92 105.19 104.08 2i8l n GLY 147 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.30 2.72 0.30 1.61 0.08 -0.73 -5.07 117.98 113.60 2i8l s PHE 148 Ca 0.00 1.10 -0.07 0.00 0.12 0.00 0.00 56.93 58.07 2i8l s PHE 148 Cb 0.00 -3.18 -0.06 0.00 -0.57 0.00 0.00 43.02 39.21 2i8l s PHE 148 CO 0.00 -1.94 0.60 0.00 -0.10 0.00 0.00 175.22 173.77 2i8l s ALA 149 N -3.16 3.55 -0.22 5.36 0.00 -1.26 -4.86 121.76 121.17 2i8l s ALA 149 Ca 0.62 -0.40 -0.18 0.00 0.00 0.00 0.00 51.96 51.99 2i8l s ALA 149 Cb -0.15 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.52 2i8l s ALA 149 CO 0.54 0.26 0.52 -1.14 0.00 0.00 0.00 175.76 175.94 2i8l s GLN 150 N -3.41 4.16 -0.07 0.00 -0.44 -1.26 -0.88 119.66 117.76 2i8l s GLN 150 Ca 0.46 0.40 -0.30 0.00 -2.50 0.00 0.00 55.36 53.42 2i8l s GLN 150 Cb -0.11 -3.58 -0.08 0.00 -1.64 0.00 0.00 33.01 27.60 2i8l s GLN 150 CO 0.28 -0.20 2.05 -0.11 0.50 0.00 0.00 175.29 177.80 2i8l n LEU 151 N 4.98 3.75 -2.84 3.68 7.94 0.07 -4.88 117.00 129.70 2i8l n LEU 151 Ca -0.04 0.69 -0.11 0.00 -1.11 0.00 0.00 56.01 55.43 2i8l n LEU 151 Cb 0.50 -1.51 0.05 0.00 0.53 0.00 0.00 43.42 42.99 2i8l n LEU 151 CO 0.42 -0.12 0.10 0.00 -1.11 0.00 0.00 177.39 176.68 2i8l n ALA 152 N 8.75 1.41 -4.25 1.96 0.00 -1.26 -4.90 120.51 122.22 2i8l n ALA 152 Ca 0.24 -2.38 -0.32 0.00 0.00 0.00 0.00 53.44 50.99 2i8l n ALA 152 Cb 0.40 -1.01 -0.07 0.00 0.00 0.00 0.00 19.45 18.77 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 0.04 -1.38 -1.82 0.00 0.24 -1.26 -4.92 118.33 109.23 2i8l n VAL 153 Ca 0.10 -0.39 -0.37 0.00 -2.04 0.00 0.00 64.34 61.64 2i8l n VAL 153 Cb 0.75 -1.40 0.06 0.00 -1.47 0.00 0.00 33.84 31.77 2i8l n VAL 153 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2i8l s GLU 154 N -7.12 2.68 -0.04 7.34 -1.05 -1.26 -4.98 118.70 114.27 2i8l s GLU 154 Ca 0.17 2.01 0.23 0.00 -0.15 0.00 0.00 54.97 57.23 2i8l s GLU 154 Cb -0.10 -1.88 0.40 0.00 -0.44 0.00 0.00 34.13 32.11 2i8l s GLU 154 CO 0.97 -1.48 1.15 0.39 0.95 0.00 0.00 175.26 177.24 2i8l n GLU 155 N -1.79 0.23 0.00 -4.83 -0.58 -1.26 -5.10 120.64 107.31 2i8l n GLU 155 Ca 0.15 -2.08 0.00 0.00 -0.42 0.00 0.00 57.16 54.81 2i8l n GLU 155 Cb 0.48 -0.14 0.00 0.00 -0.57 0.00 0.00 31.44 31.21 2i8l n GLU 155 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80