#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 0.15 -0.01 1.12 2.01 -1.26 -4.95 115.64 112.70 2i8l s THR 2 Ca 0.00 -1.27 0.02 0.00 0.31 0.00 0.00 61.69 60.74 2i8l s THR 2 Cb 0.00 -1.35 0.00 0.00 0.01 0.00 0.00 72.50 71.16 2i8l s THR 2 CO 0.00 -0.70 -0.06 -0.62 -0.69 0.00 0.00 174.62 172.55 2i8l s ASP 3 N -2.85 0.79 0.03 3.53 2.15 -1.26 -0.27 116.67 118.80 2i8l s ASP 3 Ca 0.05 -0.12 0.00 0.00 0.43 0.00 0.00 52.55 52.91 2i8l s ASP 3 Cb 0.05 -0.16 -0.02 0.00 -0.30 0.00 0.00 42.92 42.49 2i8l s ASP 3 CO -0.11 0.05 -0.04 -0.69 -0.17 0.00 0.00 175.17 174.22 2i8l s VAL 4 N 0.09 0.19 -0.08 1.11 1.01 -0.93 -0.59 120.40 121.20 2i8l s VAL 4 Ca -0.01 -1.10 0.03 0.00 0.00 0.00 0.00 61.98 60.90 2i8l s VAL 4 Cb -0.05 -0.53 0.01 0.00 0.00 0.00 0.00 36.38 35.80 2i8l s VAL 4 CO -0.00 -0.57 -0.16 -0.22 0.00 0.00 0.00 175.10 174.15 2i8l s LEU 5 N -1.74 1.77 -0.36 3.92 2.96 -0.40 -2.07 118.68 122.76 2i8l s LEU 5 Ca -0.11 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.44 2i8l s LEU 5 Cb -0.07 -1.00 0.10 0.00 0.50 0.00 0.00 46.19 45.73 2i8l s LEU 5 CO -0.02 0.07 0.09 -0.22 -1.32 0.00 0.00 176.35 174.95 2i8l s LEU 6 N 0.58 4.84 0.29 -0.68 2.96 0.36 -0.55 118.68 126.48 2i8l s LEU 6 Ca -0.16 -2.04 -0.28 0.00 -0.22 0.00 0.00 54.13 51.43 2i8l s LEU 6 Cb -0.16 -1.70 -0.09 0.00 0.50 0.00 0.00 46.19 44.73 2i8l s LEU 6 CO 0.05 -0.42 1.05 0.00 -1.32 0.00 0.00 176.35 175.70 2i8l s VAL 8 N -1.27 0.04 0.00 0.00 1.01 -0.43 -0.95 120.40 118.79 2i8l s VAL 8 Ca 0.46 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.17 2i8l s VAL 8 Cb -0.28 -0.09 0.00 0.00 0.00 0.00 0.00 36.38 36.01 2i8l s VAL 8 CO 0.36 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.92 2i8l n GLY 9 N 2.65 2.02 3.16 4.51 0.00 -0.11 -2.32 105.19 115.10 2i8l n GLY 9 Ca -0.16 -1.73 -0.33 0.00 0.00 0.00 0.00 46.02 43.80 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 3.37 0.40 1.61 3.84 -1.14 -1.97 114.94 121.06 2i8l s ASN 10 Ca 0.00 -0.59 0.26 0.00 0.21 0.00 0.00 52.86 52.74 2i8l s ASN 10 Cb 0.00 -1.53 1.44 0.00 -0.55 0.00 0.00 41.25 40.60 2i8l s ASN 10 CO 0.00 -0.00 1.81 0.28 -2.79 0.00 0.00 177.10 176.39 2i8l h SER 11 N 7.96 0.00 0.00 -4.21 0.02 -1.86 -2.20 113.55 113.25 2i8l h SER 11 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2i8l h SER 11 Cb 1.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.69 2i8l h SER 11 CO 0.63 0.00 -0.08 1.15 -1.14 0.00 0.00 176.83 177.39 2i8l n MET 12 N -2.43 1.46 -1.21 3.45 0.00 -1.26 -4.76 117.12 112.37 2i8l n MET 12 Ca -0.02 -1.55 -0.23 0.00 0.00 0.00 0.00 57.70 55.90 2i8l n MET 12 Cb 0.05 -0.97 0.17 0.00 0.00 0.00 0.00 33.22 32.47 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 -0.60 2.28 0.00 3.17 0.00 -0.87 -0.58 117.12 120.51 2i8l n MET 13 Ca 0.05 -3.09 0.00 0.00 0.00 0.00 0.00 57.70 54.66 2i8l n MET 13 Cb 0.48 -2.16 0.00 0.00 0.00 0.00 0.00 33.22 31.55 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 -1.11 0.26 0.26 -5.12 0.00 -0.54 -1.56 105.19 97.38 2i8l n GLY 14 Ca 0.57 -1.10 0.18 0.00 0.00 0.00 0.00 46.02 45.67 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 7.31 0.00 0.00 1.61 3.32 -1.29 -2.54 116.42 124.84 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 0.14 -0.78 -1.72 0.00 0.00 179.24 176.88 2i8l h ASP 16 N 0.00 0.00 0.00 6.45 3.58 -1.78 -2.86 116.42 121.81 2i8l h ASP 16 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2i8l h ASP 16 Cb 0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.06 2i8l h ASP 16 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2i8l n GLY 17 N -1.15 0.95 0.18 -0.78 0.00 -0.94 -2.87 105.19 100.58 2i8l n GLY 17 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 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 1.65 -0.39 0.37 4.61 0.00 -1.74 -1.24 119.26 122.53 2i8l h ALA 18 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2i8l h ALA 18 Cb 0.34 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2i8l h ALA 18 CO 0.00 -0.66 -0.20 0.78 0.00 0.00 0.00 179.25 179.17 2i8l h GLY 19 N -0.50 -0.55 -0.10 0.00 0.00 -1.60 -2.15 103.07 98.17 2i8l h GLY 19 Ca -0.04 0.22 0.22 0.00 0.00 0.00 0.00 47.33 47.73 2i8l h GLY 19 CO 0.06 -0.20 0.52 -2.55 0.00 0.00 0.00 176.54 174.37 2i8l h PRO 20 N -0.53 0.54 -0.22 4.80 0.11 -1.71 0.16 132.00 135.15 2i8l h PRO 20 Ca -0.05 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.86 2i8l h PRO 20 Cb 0.42 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.40 2i8l h PRO 20 CO 0.07 0.35 -0.57 1.25 -0.21 0.00 0.00 178.00 178.89 2i8l h LEU 21 N 0.55 0.76 -0.27 2.35 5.85 -1.07 -0.95 115.31 122.53 2i8l h LEU 21 Ca 0.60 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2i8l h LEU 21 Cb 1.09 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 2i8l h LEU 21 CO -0.47 1.17 0.14 0.25 -0.34 0.00 0.00 178.44 179.19 2i8l h LEU 22 N 0.52 0.34 -0.95 2.25 5.85 -0.54 -1.65 115.31 121.13 2i8l h LEU 22 Ca 0.00 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.64 2i8l h LEU 22 Cb 1.15 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.04 2i8l h LEU 22 CO 0.12 0.35 0.63 0.00 -0.34 0.00 0.00 178.44 179.19 2i8l h ALA 23 N 1.01 1.22 -0.11 1.25 0.00 -0.66 0.08 119.26 122.05 2i8l h ALA 23 Ca 0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2i8l h ALA 23 Cb 0.09 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2i8l h ALA 23 CO -0.01 0.56 0.07 1.49 0.00 0.00 0.00 179.25 181.36 2i8l h GLU 24 N 1.26 0.15 -0.33 0.00 4.57 -0.91 0.11 114.58 119.43 2i8l h GLU 24 Ca 0.36 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.51 2i8l h GLU 24 Cb -0.10 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.45 2i8l h GLU 24 CO -0.09 0.15 0.16 0.87 -1.18 0.00 0.00 179.01 178.92 2i8l h LYS 25 N 0.11 0.48 -0.60 1.92 1.57 -0.94 -0.90 116.57 118.22 2i8l h LYS 25 Ca 0.04 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 2i8l h LYS 25 Cb 0.04 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 2i8l h LYS 25 CO -0.01 0.44 0.11 0.00 -0.57 0.00 0.00 179.45 179.42 2i8l h ALA 27 N 1.20 1.04 -0.34 0.00 0.00 -0.47 -1.46 119.26 119.23 2i8l h ALA 27 Ca 0.19 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 2i8l h ALA 27 Cb 0.38 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2i8l h ALA 27 CO 0.01 0.62 -0.36 0.00 0.00 0.00 0.00 179.25 179.52 2i8l h ALA 28 N 1.19 0.71 -1.22 0.00 0.00 -0.79 -3.42 119.26 115.72 2i8l h ALA 28 Ca 0.20 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 2i8l h ALA 28 Cb 0.38 -0.12 -0.23 0.00 0.00 0.00 0.00 17.79 17.82 2i8l h ALA 28 CO 0.01 0.66 -0.47 0.00 0.00 0.00 0.00 179.25 179.45 2i8l s ALA 29 N -4.39 -1.96 0.93 0.00 0.00 -0.41 -5.10 121.76 110.82 2i8l s ALA 29 Ca -0.10 0.32 -0.12 0.00 0.00 0.00 0.00 51.96 52.07 2i8l s ALA 29 Cb 0.12 -2.50 0.09 0.00 0.00 0.00 0.00 23.12 20.83 2i8l s ALA 29 CO 0.86 -2.02 0.77 -2.30 0.00 0.00 0.00 175.76 173.06 2i8l n PRO 30 N 4.84 -0.33 -4.26 0.00 -0.02 -0.56 -4.26 135.00 130.40 2i8l n PRO 30 Ca 0.08 -0.04 -0.14 0.00 -2.02 0.00 0.00 63.50 61.37 2i8l n PRO 30 Cb 0.53 -2.11 -0.10 0.00 -0.02 0.00 0.00 33.50 31.80 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 -4.07 1.23 1.69 -0.52 -0.14 -1.26 -5.05 119.74 111.63 2i8l s LYS 31 Ca 0.62 -1.63 0.00 0.00 -1.36 0.00 0.00 55.97 53.60 2i8l s LYS 31 Cb -0.23 -0.16 0.00 0.00 -1.68 0.00 0.00 37.83 35.77 2i8l s LYS 31 CO 0.62 -0.24 0.00 0.41 -0.76 0.00 0.00 175.35 175.38 2i8l n GLY 32 N -0.33 2.73 0.00 -3.33 0.00 -1.11 -3.79 105.19 99.37 2i8l n GLY 32 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 2.28 0.38 -4.69 1.61 5.15 -1.26 -5.04 115.26 113.70 2i8l n ASN 33 Ca 0.00 -1.19 -0.42 0.00 -0.60 0.00 0.00 54.58 52.37 2i8l n ASN 33 Cb 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 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 -0.19 2.89 -0.02 1.20 0.52 -1.25 -4.50 118.94 117.60 2i8l s TRP 34 Ca 0.00 0.87 -0.30 0.00 0.02 0.00 0.00 56.10 56.69 2i8l s TRP 34 Cb 0.00 -3.63 -0.05 0.00 -1.15 0.00 0.00 33.47 28.63 2i8l s TRP 34 CO 0.00 -2.30 1.46 0.08 0.02 0.00 0.00 176.95 176.21 2i8l s VAL 35 N 2.39 3.68 0.15 4.03 1.01 0.24 -4.76 120.40 127.14 2i8l s VAL 35 Ca 0.63 1.01 -0.30 0.00 0.00 0.00 0.00 61.98 63.32 2i8l s VAL 35 Cb -0.30 -3.65 -0.07 0.00 0.00 0.00 0.00 36.38 32.36 2i8l s VAL 35 CO 0.26 -0.03 1.04 -0.69 0.00 0.00 0.00 175.10 175.68 2i8l s VAL 36 N 2.80 4.13 0.04 2.92 1.01 -1.26 -1.27 120.40 128.77 2i8l s VAL 36 Ca 0.66 1.81 0.05 0.00 0.00 0.00 0.00 61.98 64.49 2i8l s VAL 36 Cb -0.32 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 31.89 2i8l s VAL 36 CO 0.26 0.30 -0.13 -0.63 0.00 0.00 0.00 175.10 174.90 2i8l s ILE 37 N -0.15 1.05 -0.22 2.22 -1.09 0.28 -4.93 121.20 118.36 2i8l s ILE 37 Ca 0.48 -0.98 -0.03 0.00 -2.23 0.00 0.00 60.65 57.89 2i8l s ILE 37 Cb -0.27 -0.96 0.07 0.00 -1.58 0.00 0.00 42.46 39.72 2i8l s ILE 37 CO 0.33 -0.02 0.05 -0.62 -1.23 0.00 0.00 174.94 173.44 2i8l s ASP 38 N -1.14 3.14 0.00 3.58 2.15 -1.26 -1.07 116.67 122.06 2i8l s ASP 38 Ca 0.01 -0.98 0.30 0.00 0.43 0.00 0.00 52.55 52.30 2i8l s ASP 38 Cb -0.08 -0.63 1.40 0.00 -0.30 0.00 0.00 42.92 43.31 2i8l s ASP 38 CO 0.01 -0.33 1.95 0.61 -0.17 0.00 0.00 175.17 177.24 2i8l n GLY 39 N 5.02 -0.71 7.00 2.66 0.00 -0.13 -4.97 105.19 114.07 2i8l n GLY 39 Ca -0.08 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 1.16 1.73 0.86 -0.02 0.00 -1.26 -2.01 105.19 105.65 2i8l n GLY 40 Ca 0.19 -0.47 0.05 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 -1.61 2.46 -3.11 1.61 3.41 -0.83 -0.93 113.62 114.61 2i8l n SER 41 Ca 0.00 -2.17 -0.17 0.00 -0.26 0.00 0.00 58.87 56.27 2i8l n SER 41 Cb 0.00 -0.37 -0.02 0.00 -0.26 0.00 0.00 64.21 63.56 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 0.47 2.12 0.24 7.33 0.00 -0.85 -4.93 120.51 124.89 2i8l n ALA 42 Ca 0.13 -3.31 0.13 0.00 0.00 0.00 0.00 53.44 50.38 2i8l n ALA 42 Cb 0.46 -0.94 0.50 0.00 0.00 0.00 0.00 19.45 19.47 2i8l n ALA 42 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2i8l h PRO 43 N 3.00 0.00 -0.60 0.00 0.13 -1.72 -3.23 132.00 129.58 2i8l h PRO 43 Ca 0.07 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2i8l h PRO 43 Cb 1.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.10 2i8l h PRO 43 CO 0.49 0.13 0.35 1.05 -0.23 0.00 0.00 178.00 179.79 2i8l h GLU 44 N 0.00 0.81 0.00 0.86 9.09 -1.94 -0.52 114.58 122.87 2i8l h GLU 44 Ca -0.00 -0.07 0.00 0.00 0.05 0.00 0.00 59.36 59.34 2i8l h GLU 44 Cb 0.71 -0.17 0.00 0.00 -1.65 0.00 0.00 28.75 27.64 2i8l h GLU 44 CO 0.02 0.57 0.00 0.09 0.05 0.00 0.00 179.01 179.74 2i8l n ASN 45 N -4.41 0.25 -0.29 3.06 3.02 -1.22 -2.85 115.26 112.81 2i8l n ASN 45 Ca 0.06 0.59 0.04 0.00 -0.03 0.00 0.00 54.58 55.23 2i8l n ASN 45 Cb 0.08 -0.63 0.03 0.00 -0.61 0.00 0.00 39.78 38.65 2i8l n ASN 45 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2i8l n ASP 46 N -1.80 1.59 -0.33 6.41 2.03 -0.22 -4.60 116.55 119.64 2i8l n ASP 46 Ca 0.01 -1.30 0.16 0.00 0.52 0.00 0.00 54.79 54.18 2i8l n ASP 46 Cb 0.10 0.03 0.35 0.00 -0.72 0.00 0.00 41.12 40.88 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 1.43 0.50 -0.67 5.18 2.04 -1.40 -0.65 117.51 123.96 2i8l h ILE 47 Ca 0.00 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 65.75 2i8l h ILE 47 Cb 0.31 -0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 36.30 2i8l h ILE 47 CO 0.00 0.09 0.37 0.58 0.00 0.00 0.00 178.15 179.19 2i8l h VAL 48 N 0.49 0.97 -0.64 1.67 2.07 -1.83 -0.49 116.25 118.49 2i8l h VAL 48 Ca 0.61 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 67.82 2i8l h VAL 48 Cb 1.17 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 2i8l h VAL 48 CO -0.50 0.13 0.10 0.00 0.02 0.00 0.00 177.57 177.31 2i8l h ALA 49 N 1.35 0.96 -0.33 1.67 0.00 -1.45 -1.71 119.26 119.74 2i8l h ALA 49 Ca 0.30 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2i8l h ALA 49 Cb 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2i8l h ALA 49 CO -0.18 0.65 0.09 0.82 0.00 0.00 0.00 179.25 180.63 2i8l h ILE 50 N 0.99 1.21 -0.09 0.00 2.04 -1.18 -3.05 117.51 117.43 2i8l h ILE 50 Ca 0.20 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 2i8l h ILE 50 Cb 0.44 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 2i8l h ILE 50 CO 0.01 0.24 -0.19 0.03 0.00 0.00 0.00 178.15 178.24 2i8l h ARG 51 N 0.38 0.15 -0.45 2.37 3.08 -0.61 -1.37 114.38 117.92 2i8l h ARG 51 Ca 0.11 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.18 2i8l h ARG 51 Cb 0.27 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 2i8l h ARG 51 CO -0.00 0.34 0.30 0.93 -1.07 0.00 0.00 179.97 180.48 2i8l h GLU 52 N 0.14 0.36 0.00 0.04 4.39 -1.21 -1.47 114.58 116.83 2i8l h GLU 52 Ca 0.03 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2i8l h GLU 52 Cb 0.43 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2i8l h GLU 52 CO 0.03 0.24 0.00 1.28 -1.16 0.00 0.00 179.01 179.40 2i8l n LEU 53 N -4.48 0.00 -3.81 1.33 4.77 -0.52 -4.95 117.00 109.35 2i8l n LEU 53 Ca 0.06 0.41 -0.25 0.00 -0.03 0.00 0.00 56.01 56.20 2i8l n LEU 53 Cb 0.25 -0.41 0.01 0.00 -2.33 0.00 0.00 43.42 40.93 2i8l n LEU 53 CO 0.35 -0.08 -0.11 0.54 -1.33 0.00 0.00 177.39 176.76 2i8l n ARG 54 N -1.41 -0.62 -1.67 3.23 1.74 -0.55 -4.61 116.66 112.76 2i8l n ARG 54 Ca 0.08 -0.06 -0.41 0.00 -0.77 0.00 0.00 57.85 56.69 2i8l n ARG 54 Cb 0.24 -1.10 0.01 0.00 -1.02 0.00 0.00 32.46 30.59 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 -3.06 1.72 0.06 5.56 -0.02 -1.26 -4.44 135.00 133.56 2i8l n PRO 55 Ca -0.09 0.61 -0.10 0.00 -2.02 0.00 0.00 63.50 61.90 2i8l n PRO 55 Cb 0.35 -2.24 -0.13 0.00 -0.02 0.00 0.00 33.50 31.46 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 1.93 1.50 -3.75 3.45 2.02 -0.95 -3.36 112.91 113.75 2i8l h THR 56 Ca -0.46 -3.19 -0.15 0.00 0.77 0.00 0.00 66.41 63.38 2i8l h THR 56 Cb 1.31 2.81 -0.20 0.00 -1.74 0.00 0.00 68.15 70.33 2i8l h THR 56 CO 0.59 0.88 -0.58 -0.60 0.37 0.00 0.00 175.52 176.18 2i8l s ARG 57 N -2.67 0.43 0.01 6.66 3.52 -1.21 -1.34 118.95 124.35 2i8l s ARG 57 Ca -0.02 -0.55 0.01 0.00 -0.13 0.00 0.00 55.73 55.04 2i8l s ARG 57 Cb 0.09 0.17 -0.01 0.00 -1.56 0.00 0.00 34.95 33.64 2i8l s ARG 57 CO 0.84 -0.09 -0.02 -1.17 -0.81 0.00 0.00 175.30 174.04 2i8l s LEU 58 N -1.54 2.07 -0.02 -0.88 2.96 -0.17 -2.20 118.68 118.91 2i8l s LEU 58 Ca -0.14 -0.17 0.04 0.00 -0.22 0.00 0.00 54.13 53.65 2i8l s LEU 58 Cb -0.08 -0.05 -0.01 0.00 0.50 0.00 0.00 46.19 46.56 2i8l s LEU 58 CO -0.00 -0.06 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.59 2i8l s LEU 59 N -0.46 1.99 0.01 -0.68 2.96 -0.88 -1.30 118.68 120.32 2i8l s LEU 59 Ca -0.04 -0.27 0.06 0.00 -0.22 0.00 0.00 54.13 53.66 2i8l s LEU 59 Cb -0.03 -0.78 -0.02 0.00 0.50 0.00 0.00 46.19 45.86 2i8l s LEU 59 CO -0.00 0.17 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.37 2i8l s ILE 60 N -0.24 1.54 -0.02 6.68 1.01 0.12 -0.49 121.20 129.80 2i8l s ILE 60 Ca 0.04 -0.96 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 2i8l s ILE 60 Cb -0.07 -1.31 0.02 0.00 0.01 0.00 0.00 42.46 41.11 2i8l s ILE 60 CO -0.00 0.32 0.05 -0.69 0.00 0.00 0.00 174.94 174.62 2i8l s VAL 61 N -0.60 -0.03 0.26 2.92 1.01 -0.59 -0.98 120.40 122.40 2i8l s VAL 61 Ca 0.07 0.12 -0.21 0.00 0.00 0.00 0.00 61.98 61.96 2i8l s VAL 61 Cb -0.08 -0.09 0.03 0.00 0.00 0.00 0.00 36.38 36.24 2i8l s VAL 61 CO 0.00 0.05 0.78 -0.62 0.00 0.00 0.00 175.10 175.32 2i8l s ASP 62 N 0.66 -0.21 0.68 3.32 2.15 -1.18 -1.32 116.67 120.77 2i8l s ASP 62 Ca -0.05 -0.63 -0.13 0.00 0.43 0.00 0.00 52.55 52.16 2i8l s ASP 62 Cb -0.08 0.69 0.01 0.00 -0.30 0.00 0.00 42.92 43.24 2i8l s ASP 62 CO -0.02 -1.29 1.09 0.00 -0.17 0.00 0.00 175.17 174.78 2i8l s ALA 63 N -3.57 2.50 -0.23 3.66 0.00 -1.26 -2.79 121.76 120.07 2i8l s ALA 63 Ca 0.12 0.38 -0.12 0.00 0.00 0.00 0.00 51.96 52.35 2i8l s ALA 63 Cb -0.05 -3.27 0.08 0.00 0.00 0.00 0.00 23.12 19.88 2i8l s ALA 63 CO 0.07 -1.29 0.55 0.99 0.00 0.00 0.00 175.76 176.07 2i8l s THR 64 N -2.60 -0.19 -0.04 0.00 2.01 0.28 -4.66 115.64 110.44 2i8l s THR 64 Ca 0.64 0.06 -0.30 0.00 0.31 0.00 0.00 61.69 62.39 2i8l s THR 64 Cb -0.18 -0.81 -0.05 0.00 0.01 0.00 0.00 72.50 71.47 2i8l s THR 64 CO 0.46 0.02 1.39 -0.62 -0.69 0.00 0.00 174.62 175.18 2i8l s ASP 65 N 1.80 6.87 0.00 3.53 2.15 -1.26 -3.54 116.67 126.21 2i8l s ASP 65 Ca -0.08 2.03 0.00 0.00 0.43 0.00 0.00 52.55 54.92 2i8l s ASP 65 Cb -0.08 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 2i8l s ASP 65 CO -0.16 -0.73 0.51 0.23 -0.17 0.00 0.00 175.17 174.84 2i8l n MET 66 N 5.75 -0.26 -1.93 4.34 2.81 -1.26 -4.75 117.12 121.83 2i8l n MET 66 Ca 0.13 -0.58 -0.17 0.00 -1.81 0.00 0.00 57.70 55.28 2i8l n MET 66 Cb 0.44 -0.92 -0.04 0.00 -0.71 0.00 0.00 33.22 31.99 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 -0.07 0.63 0.91 3.03 0.00 -1.26 -4.90 105.19 103.54 2i8l n GLY 67 Ca 0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.20 0.00 -4.76 0.99 4.77 -1.26 -5.02 117.00 109.53 2i8l n LEU 68 Ca -0.19 -0.58 -0.40 0.00 -0.03 0.00 0.00 56.01 54.81 2i8l n LEU 68 Cb 0.61 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.55 2i8l n LEU 68 CO 0.25 -0.55 0.76 0.21 -1.33 0.00 0.00 177.39 176.73 2i8l s ASN 69 N -1.84 7.32 0.16 -1.43 2.47 -1.26 -4.99 114.94 115.37 2i8l s ASN 69 Ca 0.14 2.21 -0.32 0.00 0.42 0.00 0.00 52.86 55.31 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 0.09 -0.10 0.87 -2.65 -3.72 0.00 0.00 177.10 171.59 2i8l n PRO 70 N 1.20 0.47 -0.94 0.43 -0.02 -1.26 -1.60 135.00 133.28 2i8l n PRO 70 Ca -0.01 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 2i8l n PRO 70 Cb 0.45 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 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 1.80 0.67 3.75 -1.23 0.00 -0.51 -4.89 105.19 104.79 2i8l n GLY 71 Ca 0.17 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 -0.25 3.12 -0.04 1.61 0.41 -0.62 -4.63 118.70 118.30 2i8l s GLU 72 Ca 0.00 1.92 0.05 0.00 -0.41 0.00 0.00 54.97 56.53 2i8l s GLU 72 Cb 0.00 -2.08 -0.01 0.00 -1.78 0.00 0.00 34.13 30.26 2i8l s GLU 72 CO 0.00 -1.11 -0.17 0.42 -0.49 0.00 0.00 175.26 173.91 2i8l s ILE 73 N -1.51 1.44 0.02 -1.63 1.01 -1.26 -0.78 121.20 118.49 2i8l s ILE 73 Ca 0.74 -0.73 -0.12 0.00 0.00 0.00 0.00 60.65 60.54 2i8l s ILE 73 Cb -0.33 -1.23 0.01 0.00 0.01 0.00 0.00 42.46 40.92 2i8l s ILE 73 CO 0.37 0.41 0.25 -0.13 0.00 0.00 0.00 174.94 175.84 2i8l s ARG 74 N -0.04 0.69 0.30 2.79 1.81 -0.58 -4.58 118.95 119.34 2i8l s ARG 74 Ca -0.02 -0.43 -0.24 0.00 -1.72 0.00 0.00 55.73 53.32 2i8l s ARG 74 Cb -0.11 0.29 -0.09 0.00 -0.45 0.00 0.00 34.95 34.59 2i8l s ARG 74 CO 0.02 -0.20 0.88 0.42 -0.68 0.00 0.00 175.30 175.74 2i8l s ILE 75 N -2.01 4.32 -0.08 1.52 -1.09 -0.01 -0.60 121.20 123.26 2i8l s ILE 75 Ca -0.09 1.66 0.02 0.00 -2.23 0.00 0.00 60.65 60.01 2i8l s ILE 75 Cb -0.03 -3.95 0.01 0.00 -1.58 0.00 0.00 42.46 36.91 2i8l s ILE 75 CO -0.00 0.13 -0.15 -0.63 -1.23 0.00 0.00 174.94 173.06 2i8l s ILE 76 N -1.62 1.34 0.27 2.92 1.01 -0.77 -0.74 121.20 123.61 2i8l s ILE 76 Ca 0.49 -0.59 -0.29 0.00 0.00 0.00 0.00 60.65 60.25 2i8l s ILE 76 Cb -0.18 -1.21 -0.09 0.00 0.01 0.00 0.00 42.46 40.99 2i8l s ILE 76 CO 0.22 0.40 1.13 -0.62 0.00 0.00 0.00 174.94 176.08 2i8l s ASP 77 N 0.66 7.20 0.42 3.58 -1.08 -1.26 -4.25 116.67 121.94 2i8l s ASP 77 Ca -0.14 2.30 0.24 0.00 -0.52 0.00 0.00 52.55 54.42 2i8l s ASP 77 Cb -0.16 -2.63 1.27 0.00 -1.46 0.00 0.00 42.92 39.94 2i8l s ASP 77 CO 0.04 -0.21 1.69 -0.65 0.52 0.00 0.00 175.17 176.56 2i8l h PRO 78 N 4.03 0.22 0.00 4.34 0.11 -1.97 0.69 132.00 139.43 2i8l h PRO 78 Ca -0.46 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 2i8l h PRO 78 Cb 1.21 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2i8l h PRO 78 CO 0.68 0.15 -0.23 0.22 -0.21 0.00 0.00 178.00 178.61 2i8l h ASP 79 N 0.23 0.00 0.13 -2.05 3.58 -1.98 -3.07 116.42 113.26 2i8l h ASP 79 Ca 0.71 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.86 2i8l h ASP 79 Cb 2.05 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 43.04 2i8l h ASP 79 CO -0.37 0.23 -2.16 -0.67 -2.88 0.00 0.00 179.24 173.38 2i8l n ASP 80 N -3.80 0.20 -0.28 2.28 2.03 0.12 -4.12 116.55 112.97 2i8l n ASP 80 Ca -0.02 0.09 0.07 0.00 0.52 0.00 0.00 54.79 55.46 2i8l n ASP 80 Cb 0.33 0.88 0.22 0.00 -0.72 0.00 0.00 41.12 41.83 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 0.65 -0.75 5.18 2.04 -1.14 0.12 117.51 123.61 2i8l h ILE 81 Ca -0.42 -0.17 0.20 0.00 1.00 0.00 0.00 64.86 65.47 2i8l h ILE 81 Cb 2.02 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 38.17 2i8l h ILE 81 CO 0.04 0.09 0.52 0.00 0.00 0.00 0.00 178.15 178.80 2i8l h ALA 82 N 1.58 2.51 0.02 1.87 0.00 -1.69 0.05 119.26 123.60 2i8l h ALA 82 Ca 0.46 -0.01 -0.39 0.00 0.00 0.00 0.00 54.91 54.97 2i8l h ALA 82 Cb 0.72 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 2i8l h ALA 82 CO -0.41 -0.72 -2.33 0.39 0.00 0.00 0.00 179.25 176.17 2i8l n GLU 83 N -4.38 0.66 0.06 0.00 -0.58 -0.74 -4.51 120.64 111.14 2i8l n GLU 83 Ca 0.15 0.21 -0.02 0.00 -0.42 0.00 0.00 57.16 57.09 2i8l n GLU 83 Cb 0.73 -1.56 0.24 0.00 -0.57 0.00 0.00 31.44 30.28 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 -0.22 0.35 -0.57 3.49 2.86 -0.37 -2.49 114.93 117.99 2i8l h MET 84 Ca -0.56 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 56.92 2i8l h MET 84 Cb 1.84 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 33.46 2i8l h MET 84 CO -0.12 0.61 0.27 0.74 1.06 0.00 0.00 176.91 179.47 2i8l h PHE 85 N 0.31 0.82 -0.01 -0.22 -1.00 -1.25 -2.52 116.94 113.07 2i8l h PHE 85 Ca 0.05 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2i8l h PHE 85 Cb 0.66 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 39.97 2i8l h PHE 85 CO 0.02 0.63 0.00 0.00 -1.61 0.00 0.00 178.31 177.35 2i8l n MET 86 N -4.55 1.06 0.13 1.51 0.00 -0.94 -2.95 117.12 111.39 2i8l n MET 86 Ca 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 57.70 57.66 2i8l n MET 86 Cb 0.12 -1.30 0.15 0.00 0.00 0.00 0.00 33.22 32.19 2i8l n MET 86 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 2i8l h MET 87 N 0.09 0.00 -0.04 3.17 2.86 -1.38 -3.36 114.93 116.27 2i8l h MET 87 Ca 0.00 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 2i8l h MET 87 Cb 0.31 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.97 2i8l h MET 87 CO 0.01 0.63 -0.36 1.79 1.06 0.00 0.00 176.91 180.03 2i8l h THR 88 N 0.00 1.45 -1.96 2.22 1.35 -1.74 -3.48 112.91 110.75 2i8l h THR 88 Ca -0.01 -1.84 0.02 0.00 -0.55 0.00 0.00 66.41 64.03 2i8l h THR 88 Cb 1.19 2.47 -0.00 0.00 -1.73 0.00 0.00 68.15 70.08 2i8l h THR 88 CO 0.08 0.53 0.09 0.35 -0.25 0.00 0.00 175.52 176.32 2i8l n THR 89 N -4.40 0.00 -0.70 6.82 -2.24 -1.26 -5.00 114.28 107.50 2i8l n THR 89 Ca -0.09 -0.15 -0.11 0.00 -2.27 0.00 0.00 64.05 61.42 2i8l n THR 89 Cb 0.54 0.18 -0.10 0.00 -2.10 0.00 0.00 70.33 68.85 2i8l n THR 89 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2i8l n HIS 90 N -0.13 0.29 -0.97 4.78 -0.00 -1.26 -4.39 115.22 113.53 2i8l n HIS 90 Ca -0.01 -1.21 -0.31 0.00 -0.00 0.00 0.00 57.72 56.19 2i8l n HIS 90 Cb 0.12 -1.31 0.14 0.00 -0.00 0.00 0.00 29.99 28.94 2i8l n HIS 90 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 2i8l s ASN 91 N 2.48 3.52 0.29 0.41 3.84 -1.26 -4.98 114.94 119.24 2i8l s ASN 91 Ca 0.45 1.93 -0.30 0.00 0.21 0.00 0.00 52.86 55.15 2i8l s ASN 91 Cb 0.19 -2.49 -0.11 0.00 -0.55 0.00 0.00 41.25 38.30 2i8l s ASN 91 CO -0.01 -2.68 1.48 -0.04 -2.79 0.00 0.00 177.10 173.07 2i8l s MET 92 N -4.78 4.21 -1.27 0.43 -1.94 -1.26 -4.58 119.30 110.11 2i8l s MET 92 Ca 0.64 2.42 -0.09 0.00 -1.71 0.00 0.00 55.69 56.95 2i8l s MET 92 Cb -0.20 -3.06 -0.07 0.00 2.01 0.00 0.00 34.83 33.51 2i8l s MET 92 CO 0.57 -0.48 2.49 -0.35 -0.01 0.00 0.00 175.02 177.25 2i8l n PRO 93 N 1.86 2.84 0.00 2.03 -0.04 -1.26 -4.63 135.00 135.80 2i8l n PRO 93 Ca 0.06 -1.91 0.00 0.00 -0.04 0.00 0.00 63.50 61.61 2i8l n PRO 93 Cb 0.39 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.15 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 4.29 0.00 0.19 1.53 4.77 -1.26 -2.31 117.00 124.22 2i8l n LEU 94 Ca 0.61 0.22 0.18 0.00 -0.03 0.00 0.00 56.01 56.99 2i8l n LEU 94 Cb 0.21 -0.22 0.76 0.00 -2.33 0.00 0.00 43.42 41.84 2i8l n LEU 94 CO 0.81 -0.22 1.16 -0.55 -1.33 0.00 0.00 177.39 177.25 2i8l h ASN 95 N 0.00 0.00 0.04 -1.43 7.08 -1.87 -0.73 115.58 118.67 2i8l h ASN 95 Ca 0.00 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2i8l h ASN 95 Cb 0.26 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.50 2i8l h ASN 95 CO 0.00 0.00 -0.02 0.10 -2.08 0.00 0.00 177.43 175.43 2i8l h TYR 96 N 0.00 0.00 -0.25 4.14 -0.00 -1.84 -1.10 116.97 117.92 2i8l h TYR 96 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.74 2i8l h TYR 96 Cb 0.93 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.66 2i8l h TYR 96 CO 0.00 0.02 -0.23 1.25 -0.00 0.00 0.00 178.16 179.20 2i8l h LEU 97 N 0.00 0.63 -0.58 0.10 6.46 -1.42 -2.98 115.31 117.53 2i8l h LEU 97 Ca -0.00 -0.47 -0.02 0.00 -0.12 0.00 0.00 57.88 57.28 2i8l h LEU 97 Cb 0.05 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 39.77 2i8l h LEU 97 CO 0.00 0.97 0.30 0.40 -0.62 0.00 0.00 178.44 179.49 2i8l h ILE 98 N 0.30 1.20 0.00 4.05 2.04 -1.45 -2.01 117.51 121.64 2i8l h ILE 98 Ca 0.04 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.37 2i8l h ILE 98 Cb 0.78 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2i8l h ILE 98 CO 0.06 0.22 0.00 -0.78 0.00 0.00 0.00 178.15 177.65 2i8l h ASP 99 N 0.78 0.00 -0.46 1.72 3.58 -1.21 0.15 116.42 120.99 2i8l h ASP 99 Ca 0.20 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.65 2i8l h ASP 99 Cb 0.08 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.13 2i8l h ASP 99 CO -0.03 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.33 2i8l n GLN 100 N -2.52 3.59 0.00 0.28 6.02 -0.77 -4.51 117.38 119.47 2i8l n GLN 100 Ca -0.00 -2.82 0.00 0.00 -0.01 0.00 0.00 57.00 54.17 2i8l n GLN 100 Cb 0.14 -1.87 0.00 0.00 1.02 0.00 0.00 30.24 29.53 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 0.37 0.44 0.27 1.08 4.77 -0.41 -4.81 117.00 118.71 2i8l n LEU 101 Ca 0.23 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.39 2i8l n LEU 101 Cb 0.89 0.00 0.89 0.00 -2.33 0.00 0.00 43.42 42.88 2i8l n LEU 101 CO 0.21 0.07 1.15 0.07 -1.33 0.00 0.00 177.39 177.56 2i8l h LYS 102 N 0.00 0.00 0.00 3.23 2.10 -0.99 -2.46 116.57 118.46 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 -0.01 0.93 -2.00 0.00 0.00 179.45 178.37 2i8l h GLU 103 N 0.00 0.00 0.00 0.07 5.08 -1.82 -3.18 114.58 114.73 2i8l h GLU 103 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2i8l h GLU 103 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2i8l h GLU 103 CO -0.00 0.01 0.00 -3.47 -1.00 0.00 0.00 179.01 174.54 2i8l n ASP 104 N -3.76 0.52 -4.27 1.42 2.03 -0.93 -5.07 116.55 106.49 2i8l n ASP 104 Ca -0.03 -1.22 -0.28 0.00 0.52 0.00 0.00 54.79 53.78 2i8l n ASP 104 Cb 0.09 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.33 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 -0.22 1.83 0.15 5.18 1.01 -1.19 -4.60 121.20 123.37 2i8l s ILE 105 Ca 0.00 -1.08 -0.10 0.00 0.00 0.00 0.00 60.65 59.47 2i8l s ILE 105 Cb 0.00 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.90 2i8l s ILE 105 CO 0.00 0.44 1.51 1.23 0.00 0.00 0.00 174.94 178.11 2i8l h GLY 106 N 5.33 1.02 -5.78 6.18 0.00 -1.35 -3.44 103.07 105.02 2i8l h GLY 106 Ca -0.42 -0.99 -0.18 0.00 0.00 0.00 0.00 47.33 45.74 2i8l h GLY 106 CO 0.46 0.90 -0.44 1.85 0.00 0.00 0.00 176.54 179.31 2i8l s GLU 107 N -4.47 0.26 -0.09 4.80 2.56 -1.14 -5.02 118.70 115.59 2i8l s GLU 107 Ca -0.11 0.52 0.03 0.00 0.00 0.00 0.00 54.97 55.41 2i8l s GLU 107 Cb 0.12 -0.03 0.01 0.00 2.00 0.00 0.00 34.13 36.22 2i8l s GLU 107 CO 0.88 -0.13 -0.20 0.08 -0.56 0.00 0.00 175.26 175.33 2i8l s VAL 108 N 0.96 1.78 0.07 3.70 1.01 -1.26 -1.00 120.40 125.66 2i8l s VAL 108 Ca -0.07 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.12 2i8l s VAL 108 Cb -0.08 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 2i8l s VAL 108 CO -0.07 0.50 -0.16 -0.63 0.00 0.00 0.00 175.10 174.75 2i8l s ILE 109 N 0.50 1.25 -0.00 2.22 1.01 -0.42 -4.99 121.20 120.76 2i8l s ILE 109 Ca -0.16 -1.27 0.04 0.00 0.00 0.00 0.00 60.65 59.27 2i8l s ILE 109 Cb -0.17 -1.16 -0.01 0.00 0.01 0.00 0.00 42.46 41.13 2i8l s ILE 109 CO 0.06 -0.12 -0.14 0.12 0.00 0.00 0.00 174.94 174.87 2i8l s PHE 110 N -1.12 1.23 -0.10 3.97 2.19 -1.26 -0.70 117.98 122.18 2i8l s PHE 110 Ca 0.01 -0.26 0.03 0.00 0.33 0.00 0.00 56.93 57.04 2i8l s PHE 110 Cb -0.09 -0.78 0.01 0.00 -1.31 0.00 0.00 43.02 40.85 2i8l s PHE 110 CO 0.02 -0.01 -0.18 -1.17 1.83 0.00 0.00 175.22 175.71 2i8l s LEU 111 N -0.49 1.88 0.19 6.12 0.20 -0.15 -1.84 118.68 124.59 2i8l s LEU 111 Ca 0.05 -0.47 0.07 0.00 0.69 0.00 0.00 54.13 54.47 2i8l s LEU 111 Cb -0.06 -1.19 -0.04 0.00 -0.43 0.00 0.00 46.19 44.47 2i8l s LEU 111 CO -0.00 0.08 0.05 -0.83 -0.29 0.00 0.00 176.35 175.35 2i8l s GLY 112 N 0.67 1.69 -0.06 7.98 0.00 0.23 -3.08 107.32 114.75 2i8l s GLY 112 Ca -0.13 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.23 2i8l s GLY 112 CO 0.03 -1.38 -0.05 -0.42 0.00 0.00 0.00 173.10 171.28 2i8l s ILE 113 N -1.82 0.66 -0.14 0.90 1.01 -1.12 -1.53 121.20 119.17 2i8l s ILE 113 Ca 0.29 -0.14 -0.29 0.00 0.00 0.00 0.00 60.65 60.51 2i8l s ILE 113 Cb -0.09 -0.70 -0.06 0.00 0.01 0.00 0.00 42.46 41.62 2i8l s ILE 113 CO 0.20 0.27 1.98 -1.58 0.00 0.00 0.00 174.94 175.81 2i8l s GLN 114 N 1.24 3.62 0.90 2.79 2.00 0.04 -0.56 119.66 129.70 2i8l s GLN 114 Ca -0.05 2.11 -0.13 0.00 -2.00 0.00 0.00 55.36 55.29 2i8l s GLN 114 Cb -0.14 -4.22 0.13 0.00 0.80 0.00 0.00 33.01 29.59 2i8l s GLN 114 CO -0.02 -1.53 1.15 -1.25 -0.50 0.00 0.00 175.29 173.14 2i8l s PRO 115 N 5.31 1.22 0.00 1.67 0.04 -1.26 -1.43 135.00 140.55 2i8l s PRO 115 Ca 0.89 0.22 0.00 0.00 0.04 0.00 0.00 61.00 62.15 2i8l s PRO 115 Cb -0.34 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2i8l s PRO 115 CO 0.36 -2.13 0.00 -3.47 0.04 0.00 0.00 177.00 171.80 2i8l n ASP 116 N -3.71 2.56 -3.93 6.66 2.03 -1.26 -4.66 116.55 114.24 2i8l n ASP 116 Ca 0.07 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.22 2i8l n ASP 116 Cb 0.60 0.25 -0.15 0.00 -0.72 0.00 0.00 41.12 41.10 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 -1.51 0.39 -0.09 5.18 -5.25 -1.26 -5.10 121.20 113.57 2i8l s ILE 117 Ca 0.00 -0.16 -0.08 0.00 -0.99 0.00 0.00 60.65 59.42 2i8l s ILE 117 Cb 0.00 -0.37 0.02 0.00 2.95 0.00 0.00 42.46 45.07 2i8l s ILE 117 CO 0.00 0.14 0.23 -0.69 -1.79 0.00 0.00 174.94 172.82 2i8l s VAL 118 N 0.19 -0.00 0.00 8.37 1.01 -1.26 -1.19 120.40 127.52 2i8l s VAL 118 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.97 2i8l s VAL 118 Cb -0.06 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 36.00 2i8l s VAL 118 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 2i8l n GLY 119 N 3.00 3.86 3.75 4.51 0.00 -0.60 -4.92 105.19 114.79 2i8l n GLY 119 Ca -0.13 -0.80 -0.37 0.00 0.00 0.00 0.00 46.02 44.72 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 2.37 -1.30 1.61 0.08 -1.26 -2.60 117.98 114.89 2i8l s PHE 120 Ca 0.00 1.49 -0.04 0.00 0.12 0.00 0.00 56.93 58.50 2i8l s PHE 120 Cb 0.00 -3.55 0.01 0.00 -0.57 0.00 0.00 43.02 38.91 2i8l s PHE 120 CO 0.00 -2.36 1.01 0.98 -0.10 0.00 0.00 175.22 174.75 2i8l n TYR 121 N -1.44 -2.37 -4.20 0.36 9.36 0.25 -4.94 117.16 114.18 2i8l n TYR 121 Ca 0.13 0.95 -0.17 0.00 3.32 0.00 0.00 57.90 62.12 2i8l n TYR 121 Cb 0.49 -4.87 -0.13 0.00 -0.63 0.00 0.00 39.34 34.20 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 -3.39 0.95 0.70 2.98 2.02 -0.93 -4.99 117.35 114.69 2i8l s TYR 122 Ca 0.24 -0.39 -0.10 0.00 -0.37 0.00 0.00 57.07 56.45 2i8l s TYR 122 Cb -0.11 -0.56 0.03 0.00 -0.40 0.00 0.00 41.96 40.92 2i8l s TYR 122 CO 0.75 -0.00 1.06 -1.25 -1.57 0.00 0.00 175.55 174.54 2i8l s PRO 123 N -1.28 2.64 0.20 -1.71 0.04 -1.26 -1.47 135.00 132.17 2i8l s PRO 123 Ca -0.03 0.23 -0.30 0.00 0.04 0.00 0.00 61.00 60.94 2i8l s PRO 123 Cb -0.08 -2.08 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 2i8l s PRO 123 CO 0.01 -1.09 1.29 1.41 0.04 0.00 0.00 177.00 178.66 2i8l s MET 124 N -5.31 4.40 0.69 4.56 -2.45 -1.25 -4.04 119.30 115.91 2i8l s MET 124 Ca 0.58 2.03 -0.11 0.00 -1.25 0.00 0.00 55.69 56.94 2i8l s MET 124 Cb -0.11 -3.20 0.00 0.00 1.25 0.00 0.00 34.83 32.78 2i8l s MET 124 CO 0.49 -0.23 1.06 0.99 1.05 0.00 0.00 175.02 178.38 2i8l s THR 125 N 0.05 4.03 0.16 10.11 2.01 -1.26 -4.85 115.64 125.89 2i8l s THR 125 Ca 0.56 0.68 -0.16 0.00 0.31 0.00 0.00 61.69 63.08 2i8l s THR 125 Cb -0.36 -3.41 0.03 0.00 0.01 0.00 0.00 72.50 68.77 2i8l s THR 125 CO 0.38 -0.84 1.79 -0.61 -0.69 0.00 0.00 174.62 174.65 2i8l h GLN 126 N -0.64 0.45 0.00 4.92 -0.00 -1.99 -1.77 115.11 116.08 2i8l h GLN 126 Ca -0.44 -0.03 -0.05 0.00 -0.00 0.00 0.00 58.65 58.13 2i8l h GLN 126 Cb 1.21 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 28.58 2i8l h GLN 126 CO 0.57 0.30 -0.24 -1.00 0.00 0.00 0.00 178.83 178.45 2i8l h PRO 127 N 0.46 0.00 0.12 -2.39 0.13 -1.94 -1.26 132.00 127.11 2i8l h PRO 127 Ca 0.17 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 65.02 2i8l h PRO 127 Cb 0.03 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.17 2i8l h PRO 127 CO -0.09 0.24 -1.22 0.82 -0.23 0.00 0.00 178.00 177.52 2i8l h ILE 128 N 0.00 1.46 -0.45 -3.56 5.03 -1.76 -1.38 117.51 116.84 2i8l h ILE 128 Ca -0.00 -2.91 0.05 0.00 -0.12 0.00 0.00 64.86 61.88 2i8l h ILE 128 Cb 0.54 2.86 -0.05 0.00 -3.03 0.00 0.00 36.82 37.14 2i8l h ILE 128 CO 0.03 0.85 0.18 0.11 -0.68 0.00 0.00 178.15 178.64 2i8l h LYS 129 N 0.11 0.35 -0.66 2.37 1.57 -0.91 0.52 116.57 119.93 2i8l h LYS 129 Ca -0.14 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 2i8l h LYS 129 Cb 1.92 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 34.13 2i8l h LYS 129 CO 0.21 0.23 0.24 0.22 -0.57 0.00 0.00 179.45 179.78 2i8l h ASP 130 N 0.36 0.90 -0.16 0.86 3.58 -1.17 -0.28 116.42 120.50 2i8l h ASP 130 Ca 0.21 -0.14 -0.02 0.00 0.42 0.00 0.00 57.03 57.51 2i8l h ASP 130 Cb 0.19 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 2i8l h ASP 130 CO -0.20 0.82 0.04 0.00 -2.88 0.00 0.00 179.24 177.02 2i8l h ALA 131 N 1.31 0.21 -0.87 -0.78 0.00 -0.69 -0.26 119.26 118.19 2i8l h ALA 131 Ca 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2i8l h ALA 131 Cb 0.22 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2i8l h ALA 131 CO -0.02 -0.15 0.50 0.28 0.00 0.00 0.00 179.25 179.86 2i8l h VAL 132 N 0.07 1.25 -0.69 0.00 2.07 -0.61 -0.10 116.25 118.23 2i8l h VAL 132 Ca 0.05 -0.58 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 2i8l h VAL 132 Cb 0.26 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 2i8l h VAL 132 CO 0.00 0.27 0.21 -0.08 0.02 0.00 0.00 177.57 177.99 2i8l h GLU 133 N 1.20 1.07 -0.15 1.57 4.57 -0.88 0.65 114.58 122.63 2i8l h GLU 133 Ca 0.31 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 2i8l h GLU 133 Cb -0.01 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 2i8l h GLU 133 CO -0.05 0.92 0.05 1.15 -1.18 0.00 0.00 179.01 179.89 2i8l h THR 134 N 1.03 1.18 -0.39 0.32 2.02 -0.20 -1.04 112.91 115.83 2i8l h THR 134 Ca 0.22 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.86 2i8l h THR 134 Cb 0.30 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 2i8l h THR 134 CO -0.01 0.17 0.25 0.58 0.37 0.00 0.00 175.52 176.88 2i8l h VAL 135 N 0.06 1.11 -0.36 3.16 2.07 -0.84 -0.56 116.25 120.89 2i8l h VAL 135 Ca 0.05 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 67.41 2i8l h VAL 135 Cb 0.21 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 2i8l h VAL 135 CO -0.00 0.11 0.02 0.22 0.02 0.00 0.00 177.57 177.93 2i8l h TYR 136 N 0.52 0.02 -0.56 1.57 3.20 -0.71 -1.36 116.97 119.65 2i8l h TYR 136 Ca 0.14 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 2i8l h TYR 136 Cb -0.04 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 2i8l h TYR 136 CO -0.04 -0.05 0.05 1.96 -1.64 0.00 0.00 178.16 178.44 2i8l h GLN 137 N 0.12 0.92 0.00 1.82 4.20 -0.88 -2.77 115.11 118.52 2i8l h GLN 137 Ca 0.17 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 2i8l h GLN 137 Cb 0.23 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 2i8l h GLN 137 CO -0.28 0.88 -0.10 -0.09 -0.67 0.00 0.00 178.83 178.58 2i8l h ARG 138 N 0.87 0.00 -0.06 1.46 9.65 -0.05 -2.45 114.38 123.79 2i8l h ARG 138 Ca 0.17 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 59.07 2i8l h ARG 138 Cb 0.44 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.01 2i8l h ARG 138 CO 0.02 0.10 0.26 -0.07 2.80 0.00 0.00 179.97 183.08 2i8l h LEU 139 N 0.00 0.00 0.00 3.80 3.38 -1.04 0.16 115.31 121.61 2i8l h LEU 139 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2i8l h LEU 139 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2i8l h LEU 139 CO 0.01 0.00 -0.20 -0.08 0.09 0.00 0.00 178.44 178.26 2i8l h GLU 140 N 0.00 0.00 0.00 1.13 4.81 -1.61 -2.94 114.58 115.96 2i8l h GLU 140 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2i8l h GLU 140 Cb 0.56 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2i8l h GLU 140 CO -0.00 0.19 0.00 0.41 -0.73 0.00 0.00 179.01 178.88 2i8l n GLY 141 N 1.15 -0.81 3.64 1.92 0.00 -0.37 -4.62 105.19 106.10 2i8l n GLY 141 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 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 1.81 -3.90 1.61 -0.00 0.42 -5.03 117.44 112.34 2i8l n TRP 142 Ca 0.00 0.60 -0.11 0.00 -0.00 0.00 0.00 57.50 57.99 2i8l n TRP 142 Cb 0.39 -2.35 -0.12 0.00 -0.00 0.00 0.00 31.31 29.23 2i8l n TRP 142 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 177.69 175.69 2i8l s GLU 143 N -1.34 0.23 4.78 5.87 2.12 -1.26 -4.92 118.70 124.18 2i8l s GLU 143 Ca 0.61 -0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.68 2i8l s GLU 143 Cb -0.66 0.09 0.00 0.00 0.26 0.00 0.00 34.13 33.82 2i8l s GLU 143 CO 0.58 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.67 2i8l n GLY 144 N 2.25 0.98 0.80 -1.50 0.00 -1.26 -0.95 105.19 105.51 2i8l n GLY 144 Ca -0.18 0.52 0.07 0.00 0.00 0.00 0.00 46.02 46.42 2i8l n GLY 144 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2i8l n ASN 145 N 9.90 3.43 0.00 1.61 6.94 -1.26 -4.96 115.26 130.92 2i8l n ASN 145 Ca 0.00 -2.43 0.00 0.00 -0.02 0.00 0.00 54.58 52.13 2i8l n ASN 145 Cb 0.00 -0.38 0.00 0.00 -2.36 0.00 0.00 39.78 37.04 2i8l n ASN 145 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2i8l n GLY 146 N 0.15 0.83 2.77 4.83 0.00 -0.12 -3.35 105.19 110.30 2i8l n GLY 146 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.22 0.43 3.76 -0.02 0.00 -1.26 -4.84 105.19 101.04 2i8l n GLY 147 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.09 2.58 0.44 1.61 0.08 -1.21 -5.01 117.98 114.37 2i8l s PHE 148 Ca 0.00 1.52 -0.23 0.00 0.12 0.00 0.00 56.93 58.33 2i8l s PHE 148 Cb 0.00 -3.43 -0.08 0.00 -0.57 0.00 0.00 43.02 38.94 2i8l s PHE 148 CO 0.00 -1.92 1.12 0.00 -0.10 0.00 0.00 175.22 174.32 2i8l s ALA 149 N -1.61 3.01 -0.25 5.36 0.00 -1.26 -4.71 121.76 122.30 2i8l s ALA 149 Ca 0.72 0.83 -0.18 0.00 0.00 0.00 0.00 51.96 53.34 2i8l s ALA 149 Cb -0.29 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 2i8l s ALA 149 CO 0.33 -0.48 0.51 -1.14 0.00 0.00 0.00 175.76 174.98 2i8l s GLN 150 N -2.65 4.10 0.17 0.00 -0.44 -1.26 -0.83 119.66 118.75 2i8l s GLN 150 Ca 0.62 0.34 -0.34 0.00 -2.50 0.00 0.00 55.36 53.48 2i8l s GLN 150 Cb -0.26 -3.63 -0.14 0.00 -1.64 0.00 0.00 33.01 27.34 2i8l s GLN 150 CO 0.31 -0.30 1.55 -0.11 0.50 0.00 0.00 175.29 177.25 2i8l n LEU 151 N 5.35 3.06 -2.83 3.68 7.94 0.09 -4.90 117.00 129.40 2i8l n LEU 151 Ca -0.04 1.09 -0.11 0.00 -1.11 0.00 0.00 56.01 55.83 2i8l n LEU 151 Cb 0.50 -1.42 0.03 0.00 0.53 0.00 0.00 43.42 43.06 2i8l n LEU 151 CO 0.41 -0.33 -0.00 0.00 -1.11 0.00 0.00 177.39 176.36 2i8l n ALA 152 N 3.22 2.22 0.00 1.96 0.00 -1.26 -4.79 120.51 121.86 2i8l n ALA 152 Ca 0.16 -2.73 0.00 0.00 0.00 0.00 0.00 53.44 50.87 2i8l n ALA 152 Cb 0.29 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.77 2i8l n ALA 152 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2i8l n VAL 153 N -0.01 0.00 -2.57 0.00 0.31 -1.26 -4.66 118.33 110.15 2i8l n VAL 153 Ca 0.11 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.29 2i8l n VAL 153 Cb 0.77 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.69 2i8l n VAL 153 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2i8l n GLU 154 N 0.00 -2.43 -3.97 5.55 1.02 -1.26 -4.91 120.64 114.63 2i8l n GLU 154 Ca 0.00 0.68 -0.09 0.00 -0.02 0.00 0.00 57.16 57.73 2i8l n GLU 154 Cb 0.00 -5.32 -0.04 0.00 -0.02 0.00 0.00 31.44 26.06 2i8l n GLU 154 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2i8l s GLU 155 N -5.18 1.63 0.00 3.49 -1.05 -1.26 -5.04 118.70 111.29 2i8l s GLU 155 Ca 0.06 -1.24 0.00 0.00 -0.15 0.00 0.00 54.97 53.64 2i8l s GLU 155 Cb -0.03 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.16 2i8l s GLU 155 CO 0.08 -0.69 0.00 -1.91 0.95 0.00 0.00 175.26 173.68