#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r7l s TYR -5 N 0.00 0.68 -0.13 -1.77 2.02 -1.26 -5.17 117.35 111.72 1r7l s TYR -5 Ca 0.00 -1.03 -0.13 0.00 -0.37 0.00 0.00 57.07 55.54 1r7l s TYR -5 Cb 0.00 -0.27 0.04 0.00 -0.40 0.00 0.00 41.96 41.32 1r7l s TYR -5 CO 0.00 -0.65 0.37 -0.59 -1.57 0.00 0.00 175.55 173.11 1r7l s PHE -4 N -4.03 -0.39 -0.17 2.71 -0.12 -1.26 -5.13 117.98 109.59 1r7l s PHE -4 Ca 0.23 0.94 -0.29 0.00 -0.05 0.00 0.00 56.93 57.76 1r7l s PHE -4 Cb 0.05 0.14 -0.01 0.00 -0.63 0.00 0.00 43.02 42.57 1r7l s PHE -4 CO 0.03 -0.22 1.12 -0.65 -0.05 0.00 0.00 175.22 175.45 1r7l s GLN -3 N 0.06 4.29 -0.13 1.99 -1.52 -1.26 -5.01 119.66 118.07 1r7l s GLN -3 Ca -0.01 1.49 -0.04 0.00 -1.95 0.00 0.00 55.36 54.85 1r7l s GLN -3 Cb -0.03 -3.65 -0.03 0.00 -0.22 0.00 0.00 33.01 29.08 1r7l s GLN -3 CO 0.01 -0.58 0.00 0.45 -0.25 0.00 0.00 175.29 174.92 1r7l s SER -2 N 1.44 5.17 0.37 5.90 0.15 -1.26 -4.98 113.70 120.48 1r7l s SER -2 Ca 0.49 0.03 0.13 0.00 0.70 0.00 0.00 55.95 57.30 1r7l s SER -2 Cb -0.19 -1.70 0.71 0.00 -1.71 0.00 0.00 66.02 63.14 1r7l s SER -2 CO 0.12 0.26 1.81 -1.13 1.20 0.00 0.00 173.24 175.50 1r7l h ASN -1 N 6.07 0.00 -1.70 5.45 -0.73 -2.09 -3.42 115.58 119.16 1r7l h ASN -1 Ca -0.40 0.00 0.10 0.00 1.87 0.00 0.00 56.30 57.86 1r7l h ASN -1 Cb 1.19 0.00 -0.21 0.00 0.27 0.00 0.00 38.32 39.57 1r7l h ASN -1 CO 0.61 0.39 -0.11 0.00 -0.37 0.00 0.00 177.43 177.95 1r7l s ALA 0 N -4.11 -2.18 0.15 1.57 0.00 -1.26 -5.17 121.76 110.76 1r7l s ALA 0 Ca -0.03 2.22 0.06 0.00 0.00 0.00 0.00 51.96 54.21 1r7l s ALA 0 Cb 0.14 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 1r7l s ALA 0 CO 0.72 -1.01 0.05 -1.64 0.00 0.00 0.00 175.76 173.88 1r7l s MET 1 N 2.84 2.60 0.41 0.00 -1.94 -1.26 -5.10 119.30 116.86 1r7l s MET 1 Ca -0.01 -0.97 -0.25 0.00 -1.71 0.00 0.00 55.69 52.75 1r7l s MET 1 Cb -0.12 -2.49 -0.08 0.00 2.01 0.00 0.00 34.83 34.15 1r7l s MET 1 CO -0.19 0.48 1.24 0.15 -0.01 0.00 0.00 175.02 176.70 1r7l s LYS 2 N -2.86 3.96 0.26 2.03 1.02 -1.26 -4.82 119.74 118.08 1r7l s LYS 2 Ca 0.28 2.01 -0.01 0.00 0.02 0.00 0.00 55.97 58.27 1r7l s LYS 2 Cb -0.10 -2.69 0.58 0.00 -0.52 0.00 0.00 37.83 35.10 1r7l s LYS 2 CO 0.20 -0.45 1.69 -1.00 -0.92 0.00 0.00 175.35 174.87 1r7l h PRO 3 N 2.59 0.31 -0.91 -1.68 0.13 -1.98 -0.23 132.00 130.23 1r7l h PRO 3 Ca -0.49 -0.02 0.15 0.00 -0.87 0.00 0.00 66.00 64.76 1r7l h PRO 3 Cb 1.24 -0.07 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 1r7l h PRO 3 CO 0.62 0.20 0.51 0.07 -0.23 0.00 0.00 178.00 179.18 1r7l h ARG 4 N 0.32 0.71 -0.17 0.86 0.11 -1.99 0.20 114.38 114.42 1r7l h ARG 4 Ca 0.48 -0.04 -0.18 0.00 0.10 0.00 0.00 59.98 60.33 1r7l h ARG 4 Cb 0.86 -0.16 -0.00 0.00 1.11 0.00 0.00 29.97 31.78 1r7l h ARG 4 CO -0.53 0.47 -0.64 -0.44 0.10 0.00 0.00 179.97 178.93 1r7l h ASP 5 N 0.74 0.71 -0.38 0.08 3.32 -1.43 -2.97 116.42 116.48 1r7l h ASP 5 Ca 0.49 -0.42 -0.11 0.00 0.02 0.00 0.00 57.03 57.01 1r7l h ASP 5 Cb 0.65 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 1r7l h ASP 5 CO -0.34 1.17 -0.17 0.40 -1.72 0.00 0.00 179.24 178.58 1r7l h ILE 6 N 0.45 1.27 -0.38 0.35 2.04 -0.45 -2.46 117.51 118.33 1r7l h ILE 6 Ca -0.01 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.55 1r7l h ILE 6 Cb 1.22 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 1r7l h ILE 6 CO 0.12 0.44 0.17 0.78 0.00 0.00 0.00 178.15 179.67 1r7l h ASN 7 N 0.75 0.46 -0.14 1.72 2.35 -0.58 0.51 115.58 120.64 1r7l h ASN 7 Ca 0.11 -0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 1r7l h ASN 7 Cb 0.69 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.94 1r7l h ASN 7 CO 0.05 0.40 -0.22 0.11 -1.65 0.00 0.00 177.43 176.13 1r7l h LYS 8 N 0.52 0.40 -0.83 0.81 1.57 -1.33 -0.97 116.57 116.74 1r7l h LYS 8 Ca 0.13 -0.24 0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1r7l h LYS 8 Cb 0.07 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 1r7l h LYS 8 CO -0.02 0.82 0.54 -0.07 -0.57 0.00 0.00 179.45 180.15 1r7l h LEU 9 N 0.01 0.90 -0.29 2.94 3.38 -0.98 -1.25 115.31 120.02 1r7l h LEU 9 Ca 0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1r7l h LEU 9 Cb 0.78 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1r7l h LEU 9 CO 0.05 0.63 0.10 0.40 0.09 0.00 0.00 178.44 179.71 1r7l h ILE 10 N 1.06 1.19 -0.43 1.22 1.08 -0.87 0.42 117.51 121.19 1r7l h ILE 10 Ca 0.33 -0.62 0.07 0.00 -0.39 0.00 0.00 64.86 64.25 1r7l h ILE 10 Cb -0.02 1.06 -0.06 0.00 -3.07 0.00 0.00 36.82 34.72 1r7l h ILE 10 CO -0.10 0.21 0.06 0.00 -0.69 0.00 0.00 178.15 177.62 1r7l h ALA 11 N 0.93 0.45 0.07 1.87 0.00 -0.67 0.03 119.26 121.95 1r7l h ALA 11 Ca 0.09 0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.90 1r7l h ALA 11 Cb 0.23 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1r7l h ALA 11 CO -0.00 -0.34 -1.02 0.66 0.00 0.00 0.00 179.25 178.55 1r7l h SER 12 N 0.18 0.23 0.50 0.00 4.64 -1.14 -1.77 113.55 116.20 1r7l h SER 12 Ca 0.21 -0.82 -0.17 0.00 -0.47 0.00 0.00 61.79 60.54 1r7l h SER 12 Cb 0.28 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 1r7l h SER 12 CO -0.30 1.44 -0.74 0.11 -0.87 0.00 0.00 176.83 176.47 1r7l h LYS 13 N -0.60 0.19 0.03 4.77 1.57 -0.18 -0.60 116.57 121.74 1r7l h LYS 13 Ca -0.23 -0.17 -0.38 0.00 -1.87 0.00 0.00 60.65 58.00 1r7l h LYS 13 Cb 1.49 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.79 1r7l h LYS 13 CO 0.00 0.85 -2.34 -0.89 -0.57 0.00 0.00 179.45 176.50 1r7l n ILE 14 N -3.75 1.56 0.63 1.86 2.08 -0.04 -4.50 119.36 117.19 1r7l n ILE 14 Ca -0.03 -0.62 0.09 0.00 0.56 0.00 0.00 62.75 62.76 1r7l n ILE 14 Cb 0.71 -1.41 0.10 0.00 -0.75 0.00 0.00 39.64 38.30 1r7l n ILE 14 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 1r7l n PHE 15 N -3.27 0.12 -1.70 1.39 3.72 -0.98 -4.97 117.46 111.77 1r7l n PHE 15 Ca -0.41 -0.07 -0.21 0.00 -0.05 0.00 0.00 57.45 56.71 1r7l n PHE 15 Cb 1.02 -0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.48 1r7l n PHE 15 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1r7l n GLY 16 N 1.08 1.69 3.81 1.37 0.00 -0.23 -4.92 105.19 107.99 1r7l n GLY 16 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1r7l n GLY 16 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1r7l s TYR 17 N -2.80 3.15 -0.07 1.61 2.02 -0.69 -4.93 117.35 115.63 1r7l s TYR 17 Ca 0.00 1.56 -0.23 0.00 -0.37 0.00 0.00 57.07 58.04 1r7l s TYR 17 Cb 0.00 -2.96 -0.04 0.00 -0.40 0.00 0.00 41.96 38.56 1r7l s TYR 17 CO 0.00 -0.59 0.67 -2.00 -1.57 0.00 0.00 175.55 172.06 1r7l s GLU 18 N -3.44 4.43 -0.05 -0.62 2.12 -1.26 -4.11 118.70 115.76 1r7l s GLU 18 Ca 0.64 0.83 0.00 0.00 0.36 0.00 0.00 54.97 56.80 1r7l s GLU 18 Cb -0.13 -3.44 -0.03 0.00 0.26 0.00 0.00 34.13 30.78 1r7l s GLU 18 CO 0.22 0.08 -0.02 0.42 -0.54 0.00 0.00 175.26 175.42 1r7l s ILE 19 N 0.76 4.08 -0.19 -3.70 -1.09 -1.26 -1.01 121.20 118.79 1r7l s ILE 19 Ca 0.36 -0.44 -0.04 0.00 -2.23 0.00 0.00 60.65 58.30 1r7l s ILE 19 Cb -0.17 -2.74 0.10 0.00 -1.58 0.00 0.00 42.46 38.06 1r7l s ILE 19 CO 0.17 0.52 0.33 -0.75 -1.23 0.00 0.00 174.94 173.98 1r7l s LYS 20 N -1.10 0.26 -1.49 2.79 2.20 -0.41 -4.86 119.74 117.12 1r7l s LYS 20 Ca 0.15 0.65 -0.06 0.00 -0.36 0.00 0.00 55.97 56.35 1r7l s LYS 20 Cb -0.11 -0.30 0.02 0.00 -1.51 0.00 0.00 37.83 35.93 1r7l s LYS 20 CO 0.05 -0.46 0.57 -0.25 -0.36 0.00 0.00 175.35 174.90 1r7l n ASP 21 N 5.36 -5.53 -0.91 1.43 9.92 -1.26 -2.19 116.55 123.37 1r7l n ASP 21 Ca -0.06 -0.30 -0.09 0.00 -0.53 0.00 0.00 54.79 53.81 1r7l n ASP 21 Cb 0.50 -4.49 -0.01 0.00 -0.64 0.00 0.00 41.12 36.48 1r7l n ASP 21 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1r7l n ASP 22 N -2.46 -3.30 -4.29 -2.24 8.00 -1.26 -5.04 116.55 105.96 1r7l n ASP 22 Ca -0.09 0.05 -0.17 0.00 0.71 0.00 0.00 54.79 55.29 1r7l n ASP 22 Cb 0.60 -2.34 -0.10 0.00 -0.02 0.00 0.00 41.12 39.26 1r7l n ASP 22 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1r7l s ASN 23 N -2.68 2.18 -0.05 -2.24 0.01 -0.93 -4.67 114.94 106.55 1r7l s ASN 23 Ca 0.00 -0.99 -0.17 0.00 -0.71 0.00 0.00 52.86 50.99 1r7l s ASN 23 Cb 0.00 -0.07 -0.05 0.00 0.41 0.00 0.00 41.25 41.53 1r7l s ASN 23 CO 0.00 -0.24 0.45 -0.63 -1.51 0.00 0.00 177.10 175.17 1r7l s ILE 24 N -3.03 5.08 -0.20 0.60 1.01 -0.11 -1.29 121.20 123.27 1r7l s ILE 24 Ca 0.18 0.91 0.01 0.00 0.00 0.00 0.00 60.65 61.76 1r7l s ILE 24 Cb 0.00 -3.77 0.04 0.00 0.01 0.00 0.00 42.46 38.74 1r7l s ILE 24 CO 0.04 0.45 -0.11 0.27 0.00 0.00 0.00 174.94 175.58 1r7l s ILE 25 N -0.23 1.70 0.05 2.92 -4.36 -0.18 -0.53 121.20 120.56 1r7l s ILE 25 Ca 0.25 -1.01 -0.15 0.00 -0.26 0.00 0.00 60.65 59.48 1r7l s ILE 25 Cb -0.16 -1.74 -0.06 0.00 1.25 0.00 0.00 42.46 41.75 1r7l s ILE 25 CO 0.12 0.21 0.46 -0.54 0.24 0.00 0.00 174.94 175.43 1r7l s LYS 26 N 1.38 3.96 -1.28 0.37 1.02 0.84 -4.17 119.74 121.86 1r7l s LYS 26 Ca -0.01 0.46 0.00 0.00 0.02 0.00 0.00 55.97 56.45 1r7l s LYS 26 Cb -0.16 -3.16 0.00 0.00 -0.52 0.00 0.00 37.83 34.00 1r7l s LYS 26 CO -0.09 0.63 0.00 -0.25 -0.92 0.00 0.00 175.35 174.73 1r7l n ASP 27 N 1.54 -4.12 -0.28 2.83 8.00 -1.26 -1.88 116.55 121.38 1r7l n ASP 27 Ca -0.11 0.21 -0.04 0.00 0.71 0.00 0.00 54.79 55.56 1r7l n ASP 27 Cb 0.52 -3.57 -0.02 0.00 -0.02 0.00 0.00 41.12 38.03 1r7l n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r7l n GLY 28 N -0.68 0.46 0.00 0.44 0.00 -1.26 -4.69 105.19 99.45 1r7l n GLY 28 Ca -0.16 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1r7l n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r7l n ARG 29 N -0.55 3.08 -3.66 1.61 5.12 -0.88 -5.09 116.66 116.29 1r7l n ARG 29 Ca -0.04 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.52 1r7l n ARG 29 Cb 0.41 -0.28 -0.10 0.00 -1.16 0.00 0.00 32.46 31.34 1r7l n ARG 29 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1r7l s TYR 30 N -0.07 3.31 0.16 -1.55 2.02 -0.79 -4.94 117.35 115.50 1r7l s TYR 30 Ca 0.00 0.22 -0.03 0.00 -0.37 0.00 0.00 57.07 56.88 1r7l s TYR 30 Cb 0.00 -2.27 -0.05 0.00 -0.40 0.00 0.00 41.96 39.24 1r7l s TYR 30 CO 0.00 0.06 0.37 1.03 -1.57 0.00 0.00 175.55 175.44 1r7l s ARG 31 N 1.07 3.57 0.05 -0.62 3.00 -1.26 -0.12 118.95 124.64 1r7l s ARG 31 Ca 0.07 -0.19 -0.09 0.00 0.00 0.00 0.00 55.73 55.53 1r7l s ARG 31 Cb -0.14 -2.85 0.00 0.00 0.00 0.00 0.00 34.95 31.96 1r7l s ARG 31 CO 0.05 0.45 0.18 -0.51 0.00 0.00 0.00 175.30 175.46 1r7l s LEU 32 N -2.88 1.45 0.75 2.53 1.43 0.30 -4.97 118.68 117.30 1r7l s LEU 32 Ca 0.40 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 52.95 1r7l s LEU 32 Cb -0.12 0.90 0.05 0.00 0.03 0.00 0.00 46.19 47.05 1r7l s LEU 32 CO 0.26 -0.57 1.12 -0.83 0.23 0.00 0.00 176.35 176.57 1r7l s GLY 33 N -2.19 1.61 -0.20 -3.19 0.00 -1.26 -0.93 107.32 101.16 1r7l s GLY 33 Ca -0.04 -0.55 -0.09 0.00 0.00 0.00 0.00 44.72 44.03 1r7l s GLY 33 CO -0.05 -0.12 0.12 -0.42 0.00 0.00 0.00 173.10 172.62 1r7l s ILE 34 N -3.45 5.28 0.71 0.90 1.01 -1.26 -4.58 121.20 119.80 1r7l s ILE 34 Ca 0.60 0.14 -0.16 0.00 0.00 0.00 0.00 60.65 61.23 1r7l s ILE 34 Cb -0.11 -3.41 0.01 0.00 0.01 0.00 0.00 42.46 38.97 1r7l s ILE 34 CO 0.50 0.44 1.13 -2.65 0.00 0.00 0.00 174.94 174.36 1r7l n PRO 35 N 3.56 0.67 -2.02 2.79 -0.02 -1.26 -4.87 135.00 133.85 1r7l n PRO 35 Ca -0.16 0.29 -0.40 0.00 -2.02 0.00 0.00 63.50 61.20 1r7l n PRO 35 Cb 0.52 -2.37 -0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1r7l n PRO 35 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1r7l n LEU 36 N -2.05 7.82 -0.28 2.45 4.32 -1.26 -4.76 117.00 123.24 1r7l n LEU 36 Ca 0.14 -4.81 0.08 0.00 -0.02 0.00 0.00 56.01 51.40 1r7l n LEU 36 Cb 0.49 -1.40 0.23 0.00 -1.62 0.00 0.00 43.42 41.13 1r7l n LEU 36 CO 0.48 1.93 1.02 1.88 -1.22 0.00 0.00 177.39 181.48 1r7l h TYR 37 N 4.85 0.54 -0.00 -1.77 0.05 -1.86 0.07 116.97 118.85 1r7l h TYR 37 Ca 0.65 0.04 0.00 0.00 0.05 0.00 0.00 58.73 59.47 1r7l h TYR 37 Cb 0.37 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 37.99 1r7l h TYR 37 CO 1.55 0.00 -0.00 -1.13 -1.05 0.00 0.00 178.16 177.53 1r7l n SER 38 N -5.04 0.22 -0.00 3.88 3.41 -1.26 -3.25 113.62 111.59 1r7l n SER 38 Ca 0.17 -1.03 -0.00 0.00 -0.26 0.00 0.00 58.87 57.75 1r7l n SER 38 Cb 0.52 -0.01 -0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1r7l n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r7l n GLN 39 N -0.84 2.55 -3.92 4.33 3.00 -0.26 -3.33 117.38 118.90 1r7l n GLN 39 Ca 0.23 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.86 1r7l n GLN 39 Cb 0.15 -1.01 -0.07 0.00 0.00 0.00 0.00 30.24 29.31 1r7l n GLN 39 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1r7l s ASN 40 N -3.39 6.10 0.39 1.08 0.02 -0.15 -4.88 114.94 114.11 1r7l s ASN 40 Ca -0.00 0.32 0.20 0.00 -1.02 0.00 0.00 52.86 52.35 1r7l s ASN 40 Cb 0.00 -1.99 0.76 0.00 0.02 0.00 0.00 41.25 40.04 1r7l s ASN 40 CO 0.01 0.32 1.77 -0.29 0.02 0.00 0.00 177.10 178.93 1r7l h ILE 41 N 4.29 0.82 -0.24 0.60 6.09 -1.88 0.53 117.51 127.73 1r7l h ILE 41 Ca -0.49 -1.39 -0.07 0.00 -1.37 0.00 0.00 64.86 61.54 1r7l h ILE 41 Cb 1.20 1.86 -0.01 0.00 0.47 0.00 0.00 36.82 40.35 1r7l h ILE 41 CO 0.64 0.33 -0.13 -0.08 -3.07 0.00 0.00 178.15 175.84 1r7l h GLU 42 N 0.00 0.51 -0.20 2.19 4.81 -1.94 0.87 114.58 120.82 1r7l h GLU 42 Ca -0.00 -0.23 -0.08 0.00 -0.13 0.00 0.00 59.36 58.92 1r7l h GLU 42 Cb 0.84 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.20 1r7l h GLU 42 CO 0.04 0.78 -0.18 0.77 -0.73 0.00 0.00 179.01 179.70 1r7l h SER 43 N 0.23 0.50 -0.41 1.04 0.02 -1.81 -3.02 113.55 110.10 1r7l h SER 43 Ca 0.05 -0.47 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1r7l h SER 43 Cb 0.64 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 1r7l h SER 43 CO 0.04 0.87 0.27 0.00 -1.14 0.00 0.00 176.83 176.86 1r7l h ALA 44 N 0.65 1.69 0.00 3.77 0.00 -0.86 -0.88 119.26 123.63 1r7l h ALA 44 Ca 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1r7l h ALA 44 Cb 0.72 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1r7l h ALA 44 CO 0.05 0.28 -0.11 2.35 0.00 0.00 0.00 179.25 181.82 1r7l h TRP 45 N 0.56 0.00 -0.25 0.00 2.91 -0.69 -0.25 115.95 118.23 1r7l h TRP 45 Ca 0.15 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 60.11 1r7l h TRP 45 Cb -0.05 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.59 1r7l h TRP 45 CO 0.00 0.11 -0.13 1.96 -1.03 0.00 0.00 178.44 179.35 1r7l h GLN 46 N 0.00 0.42 -0.06 2.65 4.20 -1.09 -1.94 115.11 119.29 1r7l h GLN 46 Ca -0.00 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1r7l h GLN 46 Cb 0.53 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 1r7l h GLN 46 CO 0.01 0.55 -0.00 0.28 -0.67 0.00 0.00 178.83 179.00 1r7l h VAL 47 N 0.39 1.26 -0.47 -0.54 2.07 -1.02 -0.72 116.25 117.22 1r7l h VAL 47 Ca 0.07 -0.82 0.09 0.00 0.82 0.00 0.00 66.70 66.87 1r7l h VAL 47 Cb 0.47 1.70 -0.08 0.00 -1.52 0.00 0.00 31.29 31.86 1r7l h VAL 47 CO 0.03 0.22 0.00 0.58 0.02 0.00 0.00 177.57 178.42 1r7l h VAL 48 N -0.21 0.64 -0.07 2.57 2.07 -1.06 -0.82 116.25 119.38 1r7l h VAL 48 Ca 0.02 -0.04 -0.17 0.00 0.82 0.00 0.00 66.70 67.32 1r7l h VAL 48 Cb 0.36 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1r7l h VAL 48 CO 0.00 0.02 -0.70 -0.33 0.02 0.00 0.00 177.57 176.59 1r7l h GLU 49 N 0.12 0.34 -0.63 1.57 5.08 -1.33 -3.21 114.58 116.51 1r7l h GLU 49 Ca 0.24 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1r7l h GLU 49 Cb 0.35 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1r7l h GLU 49 CO -0.39 0.91 0.06 -0.22 -1.00 0.00 0.00 179.01 178.37 1r7l h LYS 50 N 0.24 1.05 -6.91 2.33 1.63 -0.46 -3.43 116.57 111.01 1r7l h LYS 50 Ca -0.02 -0.29 -0.56 0.00 -0.85 0.00 0.00 60.65 58.93 1r7l h LYS 50 Cb 1.26 -0.12 0.13 0.00 -0.60 0.00 0.00 32.23 32.90 1r7l h LYS 50 CO 0.12 0.99 0.57 1.28 -3.45 0.00 0.00 179.45 178.95 1r7l n LEU 51 N -4.20 4.57 0.16 5.20 4.77 -0.37 -4.90 117.00 122.23 1r7l n LEU 51 Ca 0.04 1.09 0.08 0.00 -0.03 0.00 0.00 56.01 57.19 1r7l n LEU 51 Cb 0.31 -1.54 0.08 0.00 -2.33 0.00 0.00 43.42 39.94 1r7l n LEU 51 CO 0.43 -0.50 0.48 -0.08 -1.33 0.00 0.00 177.39 176.40 1r7l h GLU 52 N 2.05 0.00 -7.05 3.23 4.57 -1.88 -3.47 114.58 112.03 1r7l h GLU 52 Ca -0.49 0.00 -0.48 0.00 -1.18 0.00 0.00 59.36 57.21 1r7l h GLU 52 Cb 1.29 0.00 0.05 0.00 -0.16 0.00 0.00 28.75 29.93 1r7l h GLU 52 CO 0.60 0.16 0.15 0.71 -1.18 0.00 0.00 179.01 179.44 1r7l s TYR 53 N -3.15 3.35 0.47 0.92 2.02 -1.26 -5.05 117.35 114.65 1r7l s TYR 53 Ca 0.04 0.69 -0.22 0.00 -0.37 0.00 0.00 57.07 57.21 1r7l s TYR 53 Cb 0.07 -2.59 -0.07 0.00 -0.40 0.00 0.00 41.96 38.96 1r7l s TYR 53 CO 0.72 -0.64 1.12 -0.51 -1.57 0.00 0.00 175.55 174.67 1r7l s ASP 54 N -4.24 6.19 -0.01 2.29 1.01 -1.26 -4.88 116.67 115.76 1r7l s ASP 54 Ca 0.52 2.17 0.02 0.00 0.71 0.00 0.00 52.55 55.97 1r7l s ASP 54 Cb -0.10 -2.59 -0.00 0.00 1.01 0.00 0.00 42.92 41.24 1r7l s ASP 54 CO 0.45 -0.90 -0.07 -0.69 0.21 0.00 0.00 175.17 174.18 1r7l s VAL 55 N -1.68 0.56 -0.12 -1.27 1.01 -1.26 -2.01 120.40 115.63 1r7l s VAL 55 Ca 0.65 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.39 1r7l s VAL 55 Cb -0.24 -0.49 -0.00 0.00 0.00 0.00 0.00 36.38 35.65 1r7l s VAL 55 CO 0.29 0.17 -0.21 -0.54 0.00 0.00 0.00 175.10 174.81 1r7l s LYS 56 N 0.03 3.10 -0.15 2.72 1.02 0.30 -4.97 119.74 121.80 1r7l s LYS 56 Ca 0.00 -0.84 0.02 0.00 0.02 0.00 0.00 55.97 55.17 1r7l s LYS 56 Cb -0.05 -2.39 0.01 0.00 -0.52 0.00 0.00 37.83 34.87 1r7l s LYS 56 CO -0.00 0.14 -0.20 0.08 -0.92 0.00 0.00 175.35 174.45 1r7l s VAL 57 N 0.46 2.26 -0.09 3.17 1.01 -1.26 -1.00 120.40 124.95 1r7l s VAL 57 Ca -0.15 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 60.96 1r7l s VAL 57 Cb -0.17 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.29 1r7l s VAL 57 CO 0.06 0.54 -0.21 -0.89 0.00 0.00 0.00 175.10 174.60 1r7l s THR 58 N 0.83 1.82 -0.16 3.92 2.01 -0.09 -5.00 115.64 118.97 1r7l s THR 58 Ca -0.06 -0.88 -0.05 0.00 0.31 0.00 0.00 61.69 61.00 1r7l s THR 58 Cb -0.15 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 1r7l s THR 58 CO -0.02 0.51 0.01 -0.75 -0.69 0.00 0.00 174.62 173.68 1r7l s LYS 59 N 0.39 3.79 0.18 4.92 2.20 -1.26 -1.63 119.74 128.32 1r7l s LYS 59 Ca -0.17 -0.44 0.03 0.00 -0.36 0.00 0.00 55.97 55.02 1r7l s LYS 59 Cb -0.17 -3.04 -0.01 0.00 -1.51 0.00 0.00 37.83 33.10 1r7l s LYS 59 CO 0.07 0.27 0.09 0.25 -0.36 0.00 0.00 175.35 175.67 1r7l n THR 60 N 3.49 0.00 -0.60 3.43 -2.24 -0.27 -5.03 114.28 113.06 1r7l n THR 60 Ca -0.17 -1.15 0.07 0.00 -2.27 0.00 0.00 64.05 60.53 1r7l n THR 60 Cb 0.52 0.46 0.17 0.00 -2.10 0.00 0.00 70.33 69.38 1r7l n THR 60 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1r7l n ASP 61 N -1.99 3.03 -3.25 3.42 8.00 -1.26 -4.76 116.55 119.74 1r7l n ASP 61 Ca -0.01 -2.56 -0.11 0.00 0.71 0.00 0.00 54.79 52.82 1r7l n ASP 61 Cb 0.29 -0.34 0.06 0.00 -0.02 0.00 0.00 41.12 41.10 1r7l n ASP 61 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1r7l n LEU 62 N -0.36 0.00 -3.96 0.64 4.77 -1.26 -4.99 117.00 111.84 1r7l n LEU 62 Ca 0.14 -1.04 -0.28 0.00 -0.03 0.00 0.00 56.01 54.81 1r7l n LEU 62 Cb 0.61 -0.31 -0.17 0.00 -2.33 0.00 0.00 43.42 41.22 1r7l n LEU 62 CO 0.08 -0.73 -0.46 -0.54 -1.33 0.00 0.00 177.39 174.41 1r7l s LYS 63 N -3.69 1.80 0.62 3.23 3.01 -1.26 -2.53 119.74 120.92 1r7l s LYS 63 Ca 0.32 -0.37 -0.16 0.00 -1.01 0.00 0.00 55.97 54.75 1r7l s LYS 63 Cb -0.02 -1.73 -0.02 0.00 -1.01 0.00 0.00 37.83 35.05 1r7l s LYS 63 CO 0.21 -0.22 1.09 -1.25 0.51 0.00 0.00 175.35 175.70 1r7l s PRO 64 N 1.50 3.08 0.16 -1.68 0.04 -1.26 -5.10 135.00 131.73 1r7l s PRO 64 Ca 0.02 1.36 -0.16 0.00 0.04 0.00 0.00 61.00 62.26 1r7l s PRO 64 Cb -0.13 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.45 1r7l s PRO 64 CO -0.07 -1.02 1.80 -0.22 0.04 0.00 0.00 177.00 177.53 1r7l h LYS 65 N 0.38 0.46 -6.17 4.56 3.64 -1.50 -3.45 116.57 114.49 1r7l h LYS 65 Ca -0.47 -0.03 -0.64 0.00 -1.27 0.00 0.00 60.65 58.24 1r7l h LYS 65 Cb 1.24 -0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 32.87 1r7l h LYS 65 CO 0.56 0.31 -0.60 0.71 -2.27 0.00 0.00 179.45 178.16 1r7l s TYR 66 N -6.16 3.20 -0.01 1.91 2.02 0.01 -1.11 117.35 117.21 1r7l s TYR 66 Ca -0.13 0.08 0.01 0.00 -0.37 0.00 0.00 57.07 56.67 1r7l s TYR 66 Cb 0.11 -1.62 0.00 0.00 -0.40 0.00 0.00 41.96 40.05 1r7l s TYR 66 CO 0.72 0.52 -0.04 -1.14 -1.57 0.00 0.00 175.55 174.04 1r7l s GLN 67 N -2.41 0.44 -0.01 -0.62 0.74 -0.65 -1.60 119.66 115.56 1r7l s GLN 67 Ca 0.30 -0.14 0.04 0.00 0.05 0.00 0.00 55.36 55.61 1r7l s GLN 67 Cb -0.12 -0.45 -0.01 0.00 1.10 0.00 0.00 33.01 33.52 1r7l s GLN 67 CO 0.22 0.05 -0.13 0.08 -0.55 0.00 0.00 175.29 174.96 1r7l s VAL 68 N 0.15 1.05 -0.06 1.34 1.01 -0.80 -0.91 120.40 122.17 1r7l s VAL 68 Ca -0.01 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.44 1r7l s VAL 68 Cb -0.05 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 1r7l s VAL 68 CO -0.00 0.29 -0.23 -1.00 0.00 0.00 0.00 175.10 174.16 1r7l s HIS 69 N -0.33 2.27 -0.15 5.22 3.76 -0.17 -1.83 115.29 124.05 1r7l s HIS 69 Ca 0.05 -0.72 0.00 0.00 -0.15 0.00 0.00 55.06 54.24 1r7l s HIS 69 Cb -0.05 -1.50 0.03 0.00 1.11 0.00 0.00 32.58 32.17 1r7l s HIS 69 CO -0.00 -0.24 -0.11 0.08 -0.85 0.00 0.00 174.74 173.62 1r7l s VAL 70 N -0.02 1.40 -0.99 -0.90 1.01 -0.54 -0.54 120.40 119.82 1r7l s VAL 70 Ca -0.06 -0.63 -0.19 0.00 0.00 0.00 0.00 61.98 61.10 1r7l s VAL 70 Cb -0.14 -1.40 0.12 0.00 0.00 0.00 0.00 36.38 34.96 1r7l s VAL 70 CO 0.04 0.34 1.24 -0.36 0.00 0.00 0.00 175.10 176.36 1r7l s PHE 71 N 1.54 3.07 0.46 5.22 0.40 -0.85 -0.42 117.98 127.40 1r7l s PHE 71 Ca 0.03 -1.42 -0.20 0.00 -0.60 0.00 0.00 56.93 54.74 1r7l s PHE 71 Cb -0.14 -4.36 -0.10 0.00 0.51 0.00 0.00 43.02 38.93 1r7l s PHE 71 CO -0.09 -1.55 0.97 0.14 0.70 0.00 0.00 175.22 175.39 1r7l s VAL 72 N 2.92 4.32 0.07 -0.44 -7.23 -1.07 -4.32 120.40 114.65 1r7l s VAL 72 Ca 0.37 1.35 -0.36 0.00 -1.81 0.00 0.00 61.98 61.53 1r7l s VAL 72 Cb -0.03 -3.60 -0.15 0.00 0.56 0.00 0.00 36.38 33.15 1r7l s VAL 72 CO -0.08 -0.40 1.48 -0.81 -0.31 0.00 0.00 175.10 174.98 1r7l n PRO 73 N -0.96 1.54 -2.93 4.82 -0.04 -1.26 -3.28 135.00 132.88 1r7l n PRO 73 Ca 0.07 0.56 -0.10 0.00 -0.04 0.00 0.00 63.50 63.98 1r7l n PRO 73 Cb 0.54 -2.25 0.01 0.00 -0.04 0.00 0.00 33.50 31.76 1r7l n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1r7l n GLY 74 N 3.04 -1.18 0.00 0.55 0.00 -1.26 -4.95 105.19 101.40 1r7l n GLY 74 Ca 0.19 1.20 0.00 0.00 0.00 0.00 0.00 46.02 47.40 1r7l n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r7l n GLY 75 N -0.41 3.09 3.11 -0.02 0.00 -1.21 -5.09 105.19 104.66 1r7l n GLY 75 Ca 0.09 -1.90 -0.22 0.00 0.00 0.00 0.00 46.02 43.98 1r7l n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r7l s VAL 76 N -2.71 1.10 0.12 1.61 0.11 -1.26 -2.59 120.40 116.78 1r7l s VAL 76 Ca 0.00 -0.60 -0.15 0.00 -2.93 0.00 0.00 61.98 58.31 1r7l s VAL 76 Cb 0.00 -0.92 -0.07 0.00 -1.53 0.00 0.00 36.38 33.86 1r7l s VAL 76 CO 0.00 0.31 0.53 -0.54 -3.33 0.00 0.00 175.10 172.07 1r7l s LYS 77 N -0.32 3.99 -0.00 1.54 -0.14 0.44 -4.93 119.74 120.31 1r7l s LYS 77 Ca 0.05 0.49 0.00 0.00 -1.36 0.00 0.00 55.97 55.15 1r7l s LYS 77 Cb -0.05 -3.00 0.01 0.00 -1.68 0.00 0.00 37.83 33.10 1r7l s LYS 77 CO -0.01 0.53 0.00 1.41 -0.76 0.00 0.00 175.35 176.52 1r7l s MET 78 N -1.76 0.02 0.17 1.68 1.75 -1.26 -1.46 119.30 118.43 1r7l s MET 78 Ca 0.35 0.02 -0.03 0.00 -1.25 0.00 0.00 55.69 54.78 1r7l s MET 78 Cb -0.16 -0.07 -0.03 0.00 2.84 0.00 0.00 34.83 37.41 1r7l s MET 78 CO 0.19 -0.03 0.15 0.14 -0.65 0.00 0.00 175.02 174.82 1r7l s VAL 79 N 0.19 0.05 0.11 10.11 -7.23 -0.76 -5.00 120.40 117.87 1r7l s VAL 79 Ca -0.02 -1.84 0.05 0.00 -1.81 0.00 0.00 61.98 58.37 1r7l s VAL 79 Cb -0.02 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 1r7l s VAL 79 CO -0.01 -0.22 -0.13 -0.36 -0.31 0.00 0.00 175.10 174.07 1r7l s PHE 80 N -4.08 1.33 0.05 2.82 0.08 -1.26 -1.91 117.98 115.02 1r7l s PHE 80 Ca 0.29 -0.56 -0.27 0.00 0.12 0.00 0.00 56.93 56.50 1r7l s PHE 80 Cb 0.06 -0.71 0.09 0.00 -0.57 0.00 0.00 43.02 41.89 1r7l s PHE 80 CO 0.06 0.12 0.88 0.00 -0.10 0.00 0.00 175.22 176.17 1r7l s ALA 81 N -2.12 -1.75 -0.53 5.36 0.00 -0.63 -4.78 121.76 117.31 1r7l s ALA 81 Ca 0.08 0.72 0.24 0.00 0.00 0.00 0.00 51.96 53.00 1r7l s ALA 81 Cb -0.05 0.52 0.42 0.00 0.00 0.00 0.00 23.12 24.01 1r7l s ALA 81 CO 0.02 -0.79 1.50 0.93 0.00 0.00 0.00 175.76 177.42 1r7l h GLU 82 N 2.00 0.00 -5.76 0.00 4.39 -1.92 0.07 114.58 113.36 1r7l h GLU 82 Ca -0.24 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 58.98 1r7l h GLU 82 Cb 1.25 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.69 1r7l h GLU 82 CO 0.30 0.00 -0.80 0.95 -1.16 0.00 0.00 179.01 178.30 1r7l s THR 83 N -3.20 1.46 0.18 1.13 -4.23 -1.26 -4.56 115.64 105.17 1r7l s THR 83 Ca 0.07 -1.52 -0.11 0.00 -1.18 0.00 0.00 61.69 58.94 1r7l s THR 83 Cb 0.10 -1.42 0.10 0.00 1.34 0.00 0.00 72.50 72.62 1r7l s THR 83 CO 0.68 -0.19 1.75 0.00 -0.54 0.00 0.00 174.62 176.32 1r7l h ALA 84 N 3.99 0.83 -0.71 3.99 0.00 -1.95 -2.09 119.26 123.32 1r7l h ALA 84 Ca -0.43 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 1r7l h ALA 84 Cb 1.19 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1r7l h ALA 84 CO 0.42 0.43 0.41 -1.35 0.00 0.00 0.00 179.25 179.17 1r7l h PRO 85 N 0.90 0.96 -0.11 0.00 0.11 -1.87 -1.18 132.00 130.82 1r7l h PRO 85 Ca 0.22 -0.09 -0.21 0.00 0.11 0.00 0.00 66.00 66.03 1r7l h PRO 85 Cb 0.17 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.08 1r7l h PRO 85 CO -0.02 0.69 -0.78 1.98 -0.21 0.00 0.00 178.00 179.66 1r7l h MET 86 N 0.98 0.60 -0.38 1.05 4.05 -1.51 -2.13 114.93 117.58 1r7l h MET 86 Ca 0.25 -0.50 -0.10 0.00 -0.28 0.00 0.00 59.70 59.07 1r7l h MET 86 Cb -0.02 0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.87 1r7l h MET 86 CO -0.05 1.12 -0.17 0.00 0.23 0.00 0.00 176.91 178.05 1r7l h ALA 87 N 0.73 0.98 -0.03 0.39 0.00 -1.17 0.32 119.26 120.47 1r7l h ALA 87 Ca -0.05 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1r7l h ALA 87 Cb 1.39 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1r7l h ALA 87 CO 0.15 0.60 0.01 0.82 0.00 0.00 0.00 179.25 180.83 1r7l h ILE 88 N 0.64 1.19 -0.47 0.00 2.04 -1.20 -0.64 117.51 119.06 1r7l h ILE 88 Ca 0.10 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 1r7l h ILE 88 Cb 0.65 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 1r7l h ILE 88 CO 0.05 0.15 0.15 0.00 0.00 0.00 0.00 178.15 178.50 1r7l h LYS 90 N 0.63 1.17 -0.49 0.00 1.57 -0.89 -1.00 116.57 117.56 1r7l h LYS 90 Ca 0.15 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1r7l h LYS 90 Cb 0.26 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1r7l h LYS 90 CO -0.01 0.86 0.06 0.78 -0.57 0.00 0.00 179.45 180.57 1r7l h GLY 91 N 1.20 0.88 1.00 3.86 0.00 -0.77 -1.13 103.07 108.10 1r7l h GLY 91 Ca 0.30 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1r7l h GLY 91 CO -0.05 0.55 0.16 0.00 0.00 0.00 0.00 176.54 177.20 1r7l h ALA 92 N 0.96 0.30 -0.07 3.60 0.00 -0.76 -1.87 119.26 121.42 1r7l h ALA 92 Ca 0.15 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1r7l h ALA 92 Cb 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1r7l h ALA 92 CO 0.01 -0.22 -0.24 -0.07 0.00 0.00 0.00 179.25 178.74 1r7l h LEU 93 N 0.32 0.11 -1.00 0.00 3.38 -1.07 -2.49 115.31 114.56 1r7l h LEU 93 Ca 0.09 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1r7l h LEU 93 Cb -0.03 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1r7l h LEU 93 CO -0.02 0.35 -0.50 0.00 0.09 0.00 0.00 178.44 178.37 1r7l h ALA 94 N 1.66 1.17 0.00 1.53 0.00 -0.66 -2.85 119.26 120.11 1r7l h ALA 94 Ca 0.02 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1r7l h ALA 94 Cb 0.48 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1r7l h ALA 94 CO 0.03 0.62 0.00 -1.13 0.00 0.00 0.00 179.25 178.77 1r7l n SER 95 N -3.93 0.00 -0.57 0.00 3.41 -0.75 -5.00 113.62 106.77 1r7l n SER 95 Ca -0.01 -0.17 0.07 0.00 -0.26 0.00 0.00 58.87 58.49 1r7l n SER 95 Cb 0.52 -0.27 0.06 0.00 -0.26 0.00 0.00 64.21 64.25 1r7l n SER 95 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21