#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i17 s VAL 2 N 0.00 2.50 1.03 5.15 1.01 -1.26 -4.96 120.40 123.87 1i17 s VAL 2 Ca 0.00 0.47 -0.12 0.00 0.00 0.00 0.00 61.98 62.32 1i17 s VAL 2 Cb 0.00 -3.29 0.21 0.00 0.00 0.00 0.00 36.38 33.30 1i17 s VAL 2 CO 0.00 0.09 1.08 0.00 0.00 0.00 0.00 175.10 176.27 1i17 s ALA 3 N -1.20 0.64 0.05 5.51 0.00 -1.23 -4.99 121.76 120.54 1i17 s ALA 3 Ca 0.54 -0.27 -0.30 0.00 0.00 0.00 0.00 51.96 51.93 1i17 s ALA 3 Cb -0.40 -3.16 -0.08 0.00 0.00 0.00 0.00 23.12 19.48 1i17 s ALA 3 CO 0.53 -3.06 1.68 -1.21 0.00 0.00 0.00 175.76 173.70 1i17 s GLU 4 N -4.83 4.19 -1.17 0.00 2.02 -1.26 -4.90 118.70 112.75 1i17 s GLU 4 Ca 0.66 2.34 -0.20 0.00 0.02 0.00 0.00 54.97 57.79 1i17 s GLU 4 Cb -0.20 -3.69 -0.04 0.00 0.10 0.00 0.00 34.13 30.30 1i17 s GLU 4 CO 0.59 -0.77 1.92 -1.71 0.02 0.00 0.00 175.26 175.32 1i17 n ASN 5 N 5.93 3.59 -4.36 -0.19 5.15 -1.26 -4.68 115.26 119.44 1i17 n ASN 5 Ca 0.16 -2.78 -0.26 0.00 -0.60 0.00 0.00 54.58 51.10 1i17 n ASN 5 Cb 0.41 -1.59 -0.12 0.00 -0.53 0.00 0.00 39.78 37.94 1i17 n ASN 5 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1i17 s ARG 6 N 5.05 1.34 -0.35 1.20 1.70 -1.26 -5.03 118.95 121.59 1i17 s ARG 6 Ca 0.59 -1.35 -0.39 0.00 -0.47 0.00 0.00 55.73 54.10 1i17 s ARG 6 Cb 0.06 -1.69 -0.15 0.00 -0.57 0.00 0.00 34.95 32.61 1i17 s ARG 6 CO 0.08 0.38 1.98 -2.30 -1.08 0.00 0.00 175.30 174.37 1i17 n PRO 7 N 0.73 0.88 0.00 3.89 -0.02 -1.26 -0.93 135.00 138.29 1i17 n PRO 7 Ca -0.16 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1i17 n PRO 7 Cb 0.54 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 1i17 n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i17 n GLY 8 N 5.66 2.37 3.70 -1.23 0.00 0.51 -4.55 105.19 111.65 1i17 n GLY 8 Ca 0.37 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.96 1i17 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i17 n ALA 9 N -0.54 1.94 -1.72 4.61 0.00 -0.11 -4.20 120.51 120.49 1i17 n ALA 9 Ca 0.00 0.41 -0.43 0.00 0.00 0.00 0.00 53.44 53.42 1i17 n ALA 9 Cb 0.00 -2.40 -0.02 0.00 0.00 0.00 0.00 19.45 17.03 1i17 n ALA 9 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1i17 n PHE 10 N 2.71 2.66 -3.88 0.00 3.01 -1.26 -1.07 117.46 119.64 1i17 n PHE 10 Ca 0.13 0.27 -0.34 0.00 1.01 0.00 0.00 57.45 58.52 1i17 n PHE 10 Cb 0.33 -2.57 -0.13 0.00 -0.01 0.00 0.00 39.48 37.10 1i17 n PHE 10 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1i17 s ILE 11 N 0.17 2.89 -1.06 4.37 1.01 0.11 -3.51 121.20 125.17 1i17 s ILE 11 Ca 0.67 -2.27 -0.05 0.00 0.00 0.00 0.00 60.65 59.00 1i17 s ILE 11 Cb -0.54 -3.03 0.29 0.00 0.01 0.00 0.00 42.46 39.20 1i17 s ILE 11 CO 0.46 -0.67 1.30 0.29 0.00 0.00 0.00 174.94 176.32 1i17 n LYS 12 N 4.34 4.00 -0.05 2.79 5.02 -1.26 -1.71 118.16 131.29 1i17 n LYS 12 Ca 0.01 -4.53 -0.14 0.00 -2.02 0.00 0.00 58.31 51.63 1i17 n LYS 12 Cb 0.41 -2.50 -0.08 0.00 -0.02 0.00 0.00 35.03 32.84 1i17 n LYS 12 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1i17 h GLN 13 N 5.74 0.41 0.00 1.97 1.08 -1.94 -3.45 115.11 118.93 1i17 h GLN 13 Ca 0.19 -0.27 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1i17 h GLN 13 Cb 0.70 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.16 1i17 h GLN 13 CO 1.19 0.87 0.00 0.41 -0.95 0.00 0.00 178.83 180.35 1i17 n GLY 14 N 0.42 0.76 2.72 3.46 0.00 -1.26 -5.11 105.19 106.19 1i17 n GLY 14 Ca -0.07 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 45.00 1i17 n GLY 14 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1i17 s ARG 15 N -1.44 0.38 0.30 1.61 3.52 -1.26 -4.92 118.95 117.14 1i17 s ARG 15 Ca 0.00 0.10 -0.29 0.00 -0.13 0.00 0.00 55.73 55.41 1i17 s ARG 15 Cb 0.00 -1.05 -0.10 0.00 -1.56 0.00 0.00 34.95 32.24 1i17 s ARG 15 CO 0.00 -0.38 1.24 0.21 -0.81 0.00 0.00 175.30 175.55 1i17 s LYS 16 N 2.03 4.46 0.54 5.12 2.20 -1.26 -4.76 119.74 128.07 1i17 s LYS 16 Ca 0.04 2.06 0.04 0.00 -0.36 0.00 0.00 55.97 57.75 1i17 s LYS 16 Cb -0.13 -3.12 0.04 0.00 -1.51 0.00 0.00 37.83 33.11 1i17 s LYS 16 CO -0.05 -0.06 0.33 1.28 -0.36 0.00 0.00 175.35 176.49 1i17 n LEU 17 N 1.08 0.00 -3.87 5.43 4.77 -1.26 -5.14 117.00 118.02 1i17 n LEU 17 Ca 0.00 -2.95 -0.30 0.00 -0.03 0.00 0.00 56.01 52.73 1i17 n LEU 17 Cb 0.43 0.04 -0.15 0.00 -2.33 0.00 0.00 43.42 41.41 1i17 n LEU 17 CO 0.57 -0.56 -0.33 -0.62 -1.33 0.00 0.00 177.39 175.13 1i17 s ASP 18 N -4.15 4.37 -0.03 -1.43 2.15 -1.26 -5.03 116.67 111.29 1i17 s ASP 18 Ca 0.25 -1.93 0.01 0.00 0.43 0.00 0.00 52.55 51.31 1i17 s ASP 18 Cb -0.02 -1.24 0.02 0.00 -0.30 0.00 0.00 42.92 41.38 1i17 s ASP 18 CO 0.16 -0.39 -0.02 -0.63 -0.17 0.00 0.00 175.17 174.11 1i17 s ILE 19 N 1.22 0.34 -1.07 4.11 1.01 -1.26 -5.10 121.20 120.45 1i17 s ILE 19 Ca 0.11 -0.03 -0.16 0.00 0.00 0.00 0.00 60.65 60.57 1i17 s ILE 19 Cb -0.18 -0.39 0.15 0.00 0.01 0.00 0.00 42.46 42.05 1i17 s ILE 19 CO -0.16 0.17 1.28 -0.62 0.00 0.00 0.00 174.94 175.60 1i17 s ASP 20 N 0.85 6.86 0.14 3.58 2.15 -1.26 -4.82 116.67 124.17 1i17 s ASP 20 Ca -0.10 -2.54 -0.15 0.00 0.43 0.00 0.00 52.55 50.19 1i17 s ASP 20 Cb -0.13 -2.40 0.01 0.00 -0.30 0.00 0.00 42.92 40.10 1i17 s ASP 20 CO -0.01 -0.89 1.67 -0.26 -0.17 0.00 0.00 175.17 175.51 1i17 h PHE 21 N 7.96 0.69 0.00 -5.34 0.04 -1.97 -3.50 116.94 114.81 1i17 h PHE 21 Ca 0.24 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.94 1i17 h PHE 21 Cb 0.95 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.90 1i17 h PHE 21 CO 1.13 0.62 0.00 0.41 -0.60 0.00 0.00 178.31 179.87 1i17 n GLY 22 N -0.70 3.99 0.39 -1.45 0.00 -1.26 -4.88 105.19 101.28 1i17 n GLY 22 Ca 0.00 -1.67 -0.06 0.00 0.00 0.00 0.00 46.02 44.30 1i17 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i17 h ALA 23 N 0.00 -0.19 -0.03 4.61 0.00 -1.99 0.18 119.26 121.85 1i17 h ALA 23 Ca 0.00 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1i17 h ALA 23 Cb 0.00 1.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1i17 h ALA 23 CO 0.00 -0.78 0.01 0.93 0.00 0.00 0.00 179.25 179.41 1i17 h GLU 24 N -0.09 0.05 -0.57 0.00 4.39 -2.00 -2.89 114.58 113.47 1i17 h GLU 24 Ca 0.24 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.86 1i17 h GLU 24 Cb 0.54 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 1i17 h GLU 24 CO -0.85 0.23 0.09 0.78 -1.16 0.00 0.00 179.01 178.09 1i17 h GLY 25 N -0.14 0.99 0.73 -3.84 0.00 -1.66 -0.68 103.07 98.48 1i17 h GLY 25 Ca 0.01 -0.63 0.01 0.00 0.00 0.00 0.00 47.33 46.72 1i17 h GLY 25 CO -0.00 0.59 -0.21 3.43 0.00 0.00 0.00 176.54 180.35 1i17 h ASN 26 N 0.87 -0.56 -0.30 0.19 2.35 -0.72 0.06 115.58 117.48 1i17 h ASN 26 Ca 0.18 0.06 0.02 0.00 -0.55 0.00 0.00 56.30 56.01 1i17 h ASN 26 Cb 0.39 0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.93 1i17 h ASN 26 CO 0.01 -0.31 0.14 0.03 -1.65 0.00 0.00 177.43 175.65 1i17 h ARG 27 N -0.44 0.28 0.36 0.81 3.08 -1.38 -1.26 114.38 115.83 1i17 h ARG 27 Ca 0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1i17 h ARG 27 Cb 0.42 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1i17 h ARG 27 CO -0.06 0.19 -0.24 -0.92 -1.07 0.00 0.00 179.97 177.86 1i17 h TYR 28 N 0.29 -0.63 -0.08 3.04 3.20 -0.98 -2.22 116.97 119.59 1i17 h TYR 28 Ca 0.13 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.02 1i17 h TYR 28 Cb 0.06 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 1i17 h TYR 28 CO -0.11 -0.37 -0.06 -0.92 -1.64 0.00 0.00 178.16 175.06 1i17 h TYR 29 N -0.59 -0.15 -0.98 -3.82 3.20 -0.96 -0.72 116.97 112.95 1i17 h TYR 29 Ca -0.03 0.01 0.18 0.00 3.14 0.00 0.00 58.73 62.03 1i17 h TYR 29 Cb 0.49 0.08 -0.09 0.00 1.54 0.00 0.00 36.73 38.75 1i17 h TYR 29 CO -0.11 -0.10 0.61 0.00 -1.64 0.00 0.00 178.16 176.92 1i17 h ALA 30 N 0.99 1.77 0.00 1.82 0.00 -1.17 0.86 119.26 123.54 1i17 h ALA 30 Ca 0.06 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1i17 h ALA 30 Cb 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1i17 h ALA 30 CO -0.13 -0.10 -0.72 0.00 0.00 0.00 0.00 179.25 178.30 1i17 h ALA 31 N 1.62 0.63 0.00 0.00 0.00 -1.14 -3.41 119.26 116.96 1i17 h ALA 31 Ca 0.54 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1i17 h ALA 31 Cb 0.88 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1i17 h ALA 31 CO -0.31 0.76 -0.02 0.09 0.00 0.00 0.00 179.25 179.76 1i17 n ASN 32 N -3.18 1.37 -0.13 0.00 3.02 -0.30 -4.86 115.26 111.18 1i17 n ASN 32 Ca -0.00 -1.82 0.27 0.00 -0.03 0.00 0.00 54.58 53.00 1i17 n ASN 32 Cb 0.78 -0.05 0.72 0.00 -0.61 0.00 0.00 39.78 40.62 1i17 n ASN 32 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 1i17 h TYR 33 N 0.00 0.00 -0.75 3.10 -0.00 -1.09 -1.33 116.97 116.90 1i17 h TYR 33 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 58.73 58.95 1i17 h TYR 33 Cb 0.73 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.43 1i17 h TYR 33 CO 0.00 0.00 0.55 0.11 -0.00 0.00 0.00 178.16 178.82 1i17 h TRP 34 N 0.00 0.00 -0.11 0.10 5.08 -1.89 -2.04 115.95 117.09 1i17 h TRP 34 Ca 0.39 0.00 -0.24 0.00 1.08 0.00 0.00 58.89 60.12 1i17 h TRP 34 Cb 1.63 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 27.81 1i17 h TRP 34 CO 0.00 0.00 -0.85 1.96 -1.28 0.00 0.00 178.44 178.27 1i17 h GLN 35 N 0.00 0.76 -7.07 0.12 4.20 -1.65 -3.44 115.11 108.03 1i17 h GLN 35 Ca 0.36 -0.67 -0.50 0.00 0.06 0.00 0.00 58.65 57.90 1i17 h GLN 35 Cb 1.44 0.16 0.06 0.00 0.30 0.00 0.00 27.48 29.44 1i17 h GLN 35 CO -0.00 1.27 0.43 -0.06 -0.67 0.00 0.00 178.83 179.79 1i17 s PHE 36 N -3.63 2.76 -0.65 2.96 0.40 -0.77 -4.98 117.98 114.06 1i17 s PHE 36 Ca -0.10 1.55 -0.27 0.00 -0.60 0.00 0.00 56.93 57.51 1i17 s PHE 36 Cb 0.08 -3.25 -0.00 0.00 0.51 0.00 0.00 43.02 40.36 1i17 s PHE 36 CO 0.91 -1.41 1.65 -1.25 0.70 0.00 0.00 175.22 175.81 1i17 s PRO 37 N -3.22 2.84 0.57 0.24 0.04 -1.26 -4.68 135.00 129.54 1i17 s PRO 37 Ca 0.71 0.31 0.36 0.00 0.04 0.00 0.00 61.00 62.42 1i17 s PRO 37 Cb -0.23 -4.31 1.56 0.00 0.04 0.00 0.00 34.50 31.56 1i17 s PRO 37 CO 0.26 -2.51 2.06 0.38 0.04 0.00 0.00 177.00 177.23 1i17 h ASP 38 N 13.13 0.00 -3.67 6.66 2.03 -1.69 -3.44 116.42 129.44 1i17 h ASP 38 Ca -0.27 0.00 -0.38 0.00 -0.73 0.00 0.00 57.03 55.65 1i17 h ASP 38 Cb 1.12 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 39.48 1i17 h ASP 38 CO 1.24 0.00 -0.71 -0.83 -1.03 0.00 0.00 179.24 177.91 1i17 s GLY 39 N -4.18 1.28 -0.05 7.15 0.00 -0.69 -5.04 107.32 105.79 1i17 s GLY 39 Ca 0.00 -1.60 -0.01 0.00 0.00 0.00 0.00 44.72 43.11 1i17 s GLY 39 CO 0.52 -1.67 0.01 -0.42 0.00 0.00 0.00 173.10 171.55 1i17 s ILE 40 N -3.22 0.23 -0.64 0.90 1.01 -1.26 -0.72 121.20 117.51 1i17 s ILE 40 Ca 0.21 0.17 -0.27 0.00 0.00 0.00 0.00 60.65 60.76 1i17 s ILE 40 Cb 0.02 -0.39 -0.01 0.00 0.01 0.00 0.00 42.46 42.09 1i17 s ILE 40 CO 0.04 0.21 1.68 -0.47 0.00 0.00 0.00 174.94 176.41 1i17 s TYR 41 N 1.74 1.86 -0.22 3.97 5.04 -0.23 -4.95 117.35 124.56 1i17 s TYR 41 Ca 0.01 0.54 -0.18 0.00 -2.44 0.00 0.00 57.07 55.00 1i17 s TYR 41 Cb -0.13 -4.25 0.06 0.00 0.35 0.00 0.00 41.96 38.00 1i17 s TYR 41 CO -0.04 -2.24 0.58 -0.47 -1.34 0.00 0.00 175.55 172.04 1i17 s TYR 42 N 8.00 -0.72 -0.49 4.97 5.04 -1.26 -0.36 117.35 132.53 1i17 s TYR 42 Ca 0.58 1.64 0.05 0.00 -2.44 0.00 0.00 57.07 56.90 1i17 s TYR 42 Cb -0.11 0.31 0.19 0.00 0.35 0.00 0.00 41.96 42.69 1i17 s TYR 42 CO 0.20 -0.36 0.43 0.39 -1.34 0.00 0.00 175.55 174.86 1i17 n GLU 43 N 3.29 0.76 0.15 4.97 1.02 -1.26 -4.99 120.64 124.58 1i17 n GLU 43 Ca -0.16 -3.55 0.01 0.00 -0.02 0.00 0.00 57.16 53.43 1i17 n GLU 43 Cb 0.56 -1.77 0.22 0.00 -0.02 0.00 0.00 31.44 30.44 1i17 n GLU 43 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1i17 h GLY 44 N 5.24 0.00 -6.29 0.62 0.00 -1.98 -3.46 103.07 97.20 1i17 h GLY 44 Ca 0.21 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.89 1i17 h GLY 44 CO 0.49 0.00 1.20 0.00 0.00 0.00 0.00 176.54 178.22 1i17 n SER 46 N 7.84 0.26 -3.82 0.00 7.64 -1.26 -5.16 113.62 119.12 1i17 n SER 46 Ca 0.29 0.30 -0.10 0.00 1.01 0.00 0.00 58.87 60.37 1i17 n SER 46 Cb 0.27 0.11 -0.05 0.00 -1.01 0.00 0.00 64.21 63.53 1i17 n SER 46 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1i17 s GLU 47 N -1.81 1.29 0.54 1.43 -1.05 -1.26 -5.07 118.70 112.76 1i17 s GLU 47 Ca 0.00 -0.98 0.31 0.00 -0.15 0.00 0.00 54.97 54.15 1i17 s GLU 47 Cb 0.00 0.47 1.47 0.00 -0.44 0.00 0.00 34.13 35.63 1i17 s GLU 47 CO 0.00 -0.52 1.91 0.00 0.95 0.00 0.00 175.26 177.60 1i17 h ALA 48 N 2.33 2.79 -0.15 -0.84 0.00 -2.02 -0.07 119.26 121.30 1i17 h ALA 48 Ca -0.30 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.61 1i17 h ALA 48 Cb 1.25 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1i17 h ALA 48 CO 0.42 -1.03 0.10 -0.91 0.00 0.00 0.00 179.25 177.83 1i17 h ASN 49 N 0.00 0.08 -1.15 0.00 2.35 -1.99 -3.34 115.58 111.54 1i17 h ASN 49 Ca 0.39 -0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 55.66 1i17 h ASN 49 Cb 1.59 -0.02 -0.08 0.00 0.05 0.00 0.00 38.32 39.86 1i17 h ASN 49 CO -0.00 0.06 1.19 -0.69 -1.65 0.00 0.00 177.43 176.34 1i17 s VAL 50 N -5.14 3.71 1.14 2.81 1.01 -0.04 -4.97 120.40 118.92 1i17 s VAL 50 Ca -0.06 -0.46 -0.18 0.00 0.00 0.00 0.00 61.98 61.28 1i17 s VAL 50 Cb 0.17 -4.62 0.27 0.00 0.00 0.00 0.00 36.38 32.20 1i17 s VAL 50 CO 0.69 -1.53 1.16 0.42 0.00 0.00 0.00 175.10 175.84 1i17 s THR 51 N 7.03 1.70 0.09 3.92 -4.23 -1.25 -4.81 115.64 118.08 1i17 s THR 51 Ca 0.54 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.78 1i17 s THR 51 Cb -0.04 -2.61 -0.15 0.00 1.34 0.00 0.00 72.50 71.04 1i17 s THR 51 CO -0.03 0.00 1.68 0.50 -0.54 0.00 0.00 174.62 176.24 1i17 h LYS 52 N -2.35 -0.38 -0.60 3.99 3.64 -1.94 -0.71 116.57 118.21 1i17 h LYS 52 Ca -0.45 0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.08 1i17 h LYS 52 Cb 1.28 0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 33.10 1i17 h LYS 52 CO 0.35 -0.25 0.10 0.93 -2.27 0.00 0.00 179.45 178.31 1i17 h GLU 53 N -0.39 0.22 0.13 1.90 5.08 -2.00 0.01 114.58 119.53 1i17 h GLU 53 Ca -0.03 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1i17 h GLU 53 Cb 0.32 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1i17 h GLU 53 CO 0.03 0.14 -0.29 0.52 -1.00 0.00 0.00 179.01 178.41 1i17 h MET 54 N 0.22 -0.50 0.10 2.33 2.86 -1.91 -2.61 114.93 115.42 1i17 h MET 54 Ca 0.32 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.99 1i17 h MET 54 Cb 0.49 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 1i17 h MET 54 CO -0.43 -0.33 -0.09 1.25 1.06 0.00 0.00 176.91 178.37 1i17 h LEU 55 N -0.52 -0.23 -0.27 1.22 6.46 -0.13 -0.30 115.31 121.55 1i17 h LEU 55 Ca 0.03 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.84 1i17 h LEU 55 Cb 0.54 0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.52 1i17 h LEU 55 CO -0.16 -0.14 0.09 0.58 -0.62 0.00 0.00 178.44 178.19 1i17 h VAL 56 N -0.20 0.92 0.01 1.05 2.07 -1.08 0.14 116.25 119.16 1i17 h VAL 56 Ca 0.00 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1i17 h VAL 56 Cb 0.19 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1i17 h VAL 56 CO -0.02 0.04 -0.08 0.74 0.02 0.00 0.00 177.57 178.26 1i17 h THR 57 N 0.21 0.79 -0.89 2.57 2.02 -1.41 -1.57 112.91 114.62 1i17 h THR 57 Ca 0.12 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 1i17 h THR 57 Cb 0.09 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 1i17 h THR 57 CO -0.12 0.00 0.56 0.28 0.37 0.00 0.00 175.52 176.60 1i17 h SER 58 N -0.15 1.06 0.00 4.18 0.02 -0.77 -1.51 113.55 116.39 1i17 h SER 58 Ca 0.03 -0.06 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1i17 h SER 58 Cb 0.19 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1i17 h SER 58 CO -0.08 0.80 -0.03 0.00 -1.14 0.00 0.00 176.83 176.38 1i17 h VAL 60 N -0.06 0.76 -0.39 0.00 2.07 -1.08 0.78 116.25 118.34 1i17 h VAL 60 Ca 0.01 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.49 1i17 h VAL 60 Cb 0.07 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1i17 h VAL 60 CO -0.03 0.03 0.22 0.78 0.02 0.00 0.00 177.57 178.60 1i17 h ASN 61 N 0.18 0.36 -0.29 0.57 2.35 -1.08 -1.17 115.58 116.49 1i17 h ASN 61 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1i17 h ASN 61 Cb 0.25 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1i17 h ASN 61 CO -0.28 0.26 0.19 0.00 -1.65 0.00 0.00 177.43 175.95 1i17 h ALA 62 N 1.17 0.37 -0.39 -0.83 0.00 -0.48 -2.63 119.26 116.48 1i17 h ALA 62 Ca 0.15 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1i17 h ALA 62 Cb 0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1i17 h ALA 62 CO -0.07 -0.14 0.10 1.15 0.00 0.00 0.00 179.25 180.28 1i17 h THR 63 N 0.39 0.82 -0.03 0.00 2.02 -0.65 -0.22 112.91 115.24 1i17 h THR 63 Ca 0.11 -0.08 0.02 0.00 0.77 0.00 0.00 66.41 67.23 1i17 h THR 63 Cb -0.02 0.57 -0.06 0.00 -1.74 0.00 0.00 68.15 66.90 1i17 h THR 63 CO -0.02 0.04 -0.53 1.56 0.37 0.00 0.00 175.52 176.95 1i17 h GLN 64 N 0.23 -0.63 -0.51 6.66 4.20 -1.13 -2.07 115.11 121.87 1i17 h GLN 64 Ca 0.19 0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.99 1i17 h GLN 64 Cb 0.21 0.14 -0.05 0.00 0.30 0.00 0.00 27.48 28.08 1i17 h GLN 64 CO -0.23 -0.42 0.25 0.00 -0.67 0.00 0.00 178.83 177.77 1i17 h ALA 65 N -0.35 0.65 -0.27 3.87 0.00 -1.10 -2.90 119.26 119.16 1i17 h ALA 65 Ca 0.02 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1i17 h ALA 65 Cb 0.71 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1i17 h ALA 65 CO -0.37 -0.10 -0.31 0.00 0.00 0.00 0.00 179.25 178.47 1i17 h ALA 66 N 1.28 0.95 -0.67 0.00 0.00 -1.00 -3.36 119.26 116.46 1i17 h ALA 66 Ca 0.23 -0.39 -0.49 0.00 0.00 0.00 0.00 54.91 54.26 1i17 h ALA 66 Cb 0.15 -0.12 -0.40 0.00 0.00 0.00 0.00 17.79 17.42 1i17 h ALA 66 CO -0.17 0.61 -0.82 0.09 0.00 0.00 0.00 179.25 178.97 1i17 n ASN 67 N -4.08 4.48 -0.10 0.00 3.02 -0.78 -4.87 115.26 112.92 1i17 n ASN 67 Ca -0.01 -3.65 -0.05 0.00 -0.03 0.00 0.00 54.58 50.84 1i17 n ASN 67 Cb 0.46 -0.36 0.01 0.00 -0.61 0.00 0.00 39.78 39.27 1i17 n ASN 67 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1i17 h GLN 68 N 2.12 -0.03 -0.73 3.52 4.20 -1.67 -2.37 115.11 120.14 1i17 h GLN 68 Ca 0.31 0.00 0.07 0.00 0.06 0.00 0.00 58.65 59.09 1i17 h GLN 68 Cb 1.49 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 29.21 1i17 h GLN 68 CO 0.67 -0.02 0.42 0.00 -0.67 0.00 0.00 178.83 179.22 1i17 h ALA 69 N 1.31 1.00 -0.03 3.87 0.00 -1.91 -0.56 119.26 122.95 1i17 h ALA 69 Ca 0.18 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1i17 h ALA 69 Cb 0.31 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1i17 h ALA 69 CO -0.40 0.09 -0.09 0.93 0.00 0.00 0.00 179.25 179.78 1i17 h GLU 70 N 0.75 -0.13 -0.02 0.00 4.39 -1.83 -2.68 114.58 115.06 1i17 h GLU 70 Ca 0.34 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.04 1i17 h GLU 70 Cb 0.23 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1i17 h GLU 70 CO -0.20 -0.09 0.01 0.74 -1.16 0.00 0.00 179.01 178.30 1i17 h PHE 71 N -0.14 0.03 -0.02 4.33 0.04 -1.39 -3.34 116.94 116.45 1i17 h PHE 71 Ca 0.04 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.85 1i17 h PHE 71 Cb 0.20 -0.01 -0.05 0.00 2.20 0.00 0.00 35.95 38.29 1i17 h PHE 71 CO -0.17 0.23 -0.31 0.77 -0.60 0.00 0.00 178.31 178.23 1i17 h SER 72 N -0.18 -0.94 -0.46 2.17 0.02 -0.97 -1.44 113.55 111.75 1i17 h SER 72 Ca 0.01 0.13 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1i17 h SER 72 Cb 0.21 0.38 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 1i17 h SER 72 CO -0.00 -0.37 0.29 0.08 -1.14 0.00 0.00 176.83 175.69 1i17 h ARG 73 N -0.45 0.57 0.39 3.45 0.11 -1.63 -3.06 114.38 113.76 1i17 h ARG 73 Ca 0.07 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 60.09 1i17 h ARG 73 Cb 0.55 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 31.50 1i17 h ARG 73 CO -0.28 0.38 -0.19 0.93 0.10 0.00 0.00 179.97 180.92 1i17 h GLU 74 N 0.59 -0.51 -0.91 0.08 4.39 -1.65 -3.24 114.58 113.33 1i17 h GLU 74 Ca 0.18 0.03 0.26 0.00 0.34 0.00 0.00 59.36 60.17 1i17 h GLU 74 Cb -0.04 0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 1i17 h GLU 74 CO -0.06 -0.30 0.72 -0.22 -1.16 0.00 0.00 179.01 177.99 1i17 h LYS 75 N -0.58 0.00 -0.60 2.33 3.64 -1.16 0.98 116.57 121.18 1i17 h LYS 75 Ca -0.05 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.42 1i17 h LYS 75 Cb 0.43 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.22 1i17 h LYS 75 CO 0.09 0.00 0.40 1.96 -2.27 0.00 0.00 179.45 179.63 1i17 h GLN 76 N 0.00 0.41 0.00 1.90 1.08 -1.57 -3.39 115.11 113.54 1i17 h GLN 76 Ca 0.43 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.61 1i17 h GLN 76 Cb 1.88 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 29.22 1i17 h GLN 76 CO -0.00 0.27 -0.35 -3.47 -0.95 0.00 0.00 178.83 174.32 1i17 n ASP 77 N -4.47 1.28 -4.75 1.46 2.03 -0.66 -5.11 116.55 106.33 1i17 n ASP 77 Ca 0.10 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 55.05 1i17 n ASP 77 Cb 0.36 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.81 1i17 n ASP 77 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1i17 s SER 78 N -3.51 4.90 0.02 1.67 0.15 0.25 -5.01 113.70 112.18 1i17 s SER 78 Ca 0.00 2.39 0.00 0.00 0.70 0.00 0.00 55.95 59.04 1i17 s SER 78 Cb 0.00 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1i17 s SER 78 CO 0.00 -1.79 0.00 0.29 1.20 0.00 0.00 173.24 172.94 1i17 n LYS 79 N -1.91 0.00 -0.15 5.44 5.02 -1.26 -4.70 118.16 120.60 1i17 n LYS 79 Ca 0.14 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.35 1i17 n LYS 79 Cb 0.50 -0.11 0.01 0.00 -0.02 0.00 0.00 35.03 35.41 1i17 n LYS 79 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1i17 h LEU 80 N 0.00 0.53 -0.40 -0.35 5.85 -2.01 -3.28 115.31 115.65 1i17 h LEU 80 Ca 0.00 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.77 1i17 h LEU 80 Cb 0.00 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 40.81 1i17 h LEU 80 CO 0.00 0.41 -0.14 -0.74 -0.34 0.00 0.00 178.44 177.63 1i17 h HIS 81 N 0.61 -0.33 -0.39 1.25 2.76 -2.00 -2.19 115.15 114.86 1i17 h HIS 81 Ca 0.17 0.04 0.08 0.00 -2.20 0.00 0.00 60.37 58.46 1i17 h HIS 81 Cb -0.04 0.21 -0.08 0.00 1.55 0.00 0.00 27.41 29.05 1i17 h HIS 81 CO -0.04 -0.22 -0.13 1.96 -1.30 0.00 0.00 177.93 178.20 1i17 h GLN 82 N -0.06 -0.04 0.31 5.26 1.08 -1.91 0.15 115.11 119.90 1i17 h GLN 82 Ca 0.20 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.39 1i17 h GLN 82 Cb 0.36 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 1i17 h GLN 82 CO -0.45 -0.03 -0.20 0.00 -0.95 0.00 0.00 178.83 177.21 1i17 h ARG 83 N -0.04 -0.48 -0.16 1.46 -0.00 -1.53 -0.08 114.38 113.55 1i17 h ARG 83 Ca 0.19 0.03 0.03 0.00 -0.50 0.00 0.00 59.98 59.73 1i17 h ARG 83 Cb 0.33 0.11 -0.03 0.00 0.00 0.00 0.00 29.97 30.38 1i17 h ARG 83 CO -0.43 -0.32 -0.02 0.28 0.00 0.00 0.00 179.97 179.48 1i17 h VAL 84 N -0.50 0.87 -0.33 2.04 2.07 -1.26 -2.05 116.25 117.08 1i17 h VAL 84 Ca -0.03 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.52 1i17 h VAL 84 Cb 0.42 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 1i17 h VAL 84 CO 0.02 0.00 0.10 0.25 0.02 0.00 0.00 177.57 177.97 1i17 h LEU 85 N 0.03 0.09 -0.55 2.57 5.85 -0.60 -0.27 115.31 122.42 1i17 h LEU 85 Ca 0.07 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1i17 h LEU 85 Cb 0.10 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1i17 h LEU 85 CO -0.14 0.08 0.31 -0.50 -0.34 0.00 0.00 178.44 177.85 1i17 h TRP 86 N 0.23 0.74 -0.00 1.25 4.06 -0.89 0.34 115.95 121.68 1i17 h TRP 86 Ca 0.15 -0.01 0.02 0.00 2.06 0.00 0.00 58.89 61.11 1i17 h TRP 86 Cb 0.14 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 28.04 1i17 h TRP 86 CO -0.15 0.53 -0.11 -0.09 -3.56 0.00 0.00 178.44 175.06 1i17 h ARG 87 N 0.74 -0.18 -0.30 0.49 9.65 -1.13 -0.53 114.38 123.12 1i17 h ARG 87 Ca 0.19 0.01 0.07 0.00 -1.10 0.00 0.00 59.98 59.16 1i17 h ARG 87 Cb 0.02 0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 28.57 1i17 h ARG 87 CO -0.03 -0.12 -0.19 1.25 2.80 0.00 0.00 179.97 183.68 1i17 h LEU 88 N -0.19 -0.62 -0.07 3.80 7.12 -0.86 0.16 115.31 124.65 1i17 h LEU 88 Ca 0.04 0.13 0.04 0.00 0.13 0.00 0.00 57.88 58.22 1i17 h LEU 88 Cb 0.24 0.32 -0.05 0.00 -0.53 0.00 0.00 40.66 40.64 1i17 h LEU 88 CO -0.11 -0.22 -0.25 0.40 -0.13 0.00 0.00 178.44 178.12 1i17 h ILE 89 N -0.16 0.41 -0.49 4.05 2.04 -0.82 -2.30 117.51 120.24 1i17 h ILE 89 Ca 0.16 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.06 1i17 h ILE 89 Cb 0.40 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 1i17 h ILE 89 CO -0.39 0.00 0.25 0.50 0.00 0.00 0.00 178.15 178.50 1i17 h LYS 90 N -0.35 0.47 -0.34 2.37 3.64 -0.60 0.55 116.57 122.31 1i17 h LYS 90 Ca 0.08 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.51 1i17 h LYS 90 Cb 0.47 -0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 32.11 1i17 h LYS 90 CO -0.27 0.31 -0.13 0.93 -2.27 0.00 0.00 179.45 178.02 1i17 h GLU 91 N 0.49 -0.06 0.02 1.90 4.39 -0.86 0.17 114.58 120.62 1i17 h GLU 91 Ca 0.21 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 1i17 h GLU 91 Cb 0.12 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1i17 h GLU 91 CO -0.15 -0.04 -0.01 0.82 -1.16 0.00 0.00 179.01 178.47 1i17 h ILE 92 N -0.07 0.99 -0.95 3.13 2.04 -0.95 -0.25 117.51 121.45 1i17 h ILE 92 Ca 0.17 -0.03 0.10 0.00 1.00 0.00 0.00 64.86 66.10 1i17 h ILE 92 Cb 0.32 1.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.34 1i17 h ILE 92 CO -0.38 0.01 0.61 0.00 0.00 0.00 0.00 178.15 178.38 1i17 h SER 94 N 0.97 0.84 -0.20 0.00 0.02 -0.49 -3.36 113.55 111.34 1i17 h SER 94 Ca 0.45 -0.33 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1i17 h SER 94 Cb 0.40 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 1i17 h SER 94 CO -0.21 0.97 0.11 0.00 -1.14 0.00 0.00 176.83 176.56 1i17 h ALA 95 N 0.90 0.25 -2.93 3.77 0.00 -0.28 -3.42 119.26 117.55 1i17 h ALA 95 Ca 0.13 -0.05 -0.54 0.00 0.00 0.00 0.00 54.91 54.45 1i17 h ALA 95 Cb 0.56 -0.08 0.10 0.00 0.00 0.00 0.00 17.79 18.38 1i17 h ALA 95 CO 0.03 -0.23 0.79 -1.59 0.00 0.00 0.00 179.25 178.26 1i17 s LYS 96 N -5.93 4.11 0.16 0.00 -2.85 -1.00 -5.04 119.74 109.19 1i17 s LYS 96 Ca -0.13 2.57 -0.00 0.00 -1.00 0.00 0.00 55.97 57.41 1i17 s LYS 96 Cb 0.08 -2.97 -0.04 0.00 -2.06 0.00 0.00 37.83 32.83 1i17 s LYS 96 CO 0.70 -0.54 0.05 -1.01 0.10 0.00 0.00 175.35 174.64 1i17 s HIS 97 N -1.00 1.03 -0.07 1.78 3.76 -1.26 -4.98 115.29 114.55 1i17 s HIS 97 Ca 0.54 -1.18 0.02 0.00 -0.15 0.00 0.00 55.06 54.29 1i17 s HIS 97 Cb -0.47 -0.58 -0.02 0.00 1.11 0.00 0.00 32.58 32.62 1i17 s HIS 97 CO 0.62 -0.42 -0.13 0.00 -0.85 0.00 0.00 174.74 173.95 1i17 h ASP 99 N 5.71 1.11 0.53 0.00 3.58 -2.02 -3.11 116.42 122.23 1i17 h ASP 99 Ca -0.41 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 56.96 1i17 h ASP 99 Cb 1.17 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.94 1i17 h ASP 99 CO 0.52 0.86 0.00 2.22 -2.88 0.00 0.00 179.24 179.96 1i17 n PHE 100 N -4.36 0.33 -1.69 0.28 1.16 -1.26 -4.86 117.46 107.06 1i17 n PHE 100 Ca 0.10 0.13 -0.44 0.00 -1.87 0.00 0.00 57.45 55.37 1i17 n PHE 100 Cb 0.07 -0.72 -0.04 0.00 -1.61 0.00 0.00 39.48 37.18 1i17 n PHE 100 CO 0.00 0.00 0.00 0.91 -1.87 0.00 0.00 176.76 175.80 1i17 n TRP 101 N -1.81 2.51 -4.05 2.97 8.01 -1.18 -4.86 117.44 119.03 1i17 n TRP 101 Ca 0.03 0.03 -0.14 0.00 -1.31 0.00 0.00 57.50 56.11 1i17 n TRP 101 Cb 0.18 -2.66 -0.04 0.00 -2.01 0.00 0.00 31.31 26.78 1i17 n TRP 101 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.69 178.15 1i17 n LEU 102 N 4.73 0.00 -3.95 -0.99 -0.00 -1.26 -5.11 117.00 110.42 1i17 n LEU 102 Ca 0.18 -2.49 -0.10 0.00 -0.00 0.00 0.00 56.01 53.60 1i17 n LEU 102 Cb 0.33 1.96 -0.12 0.00 -0.00 0.00 0.00 43.42 45.60 1i17 n LEU 102 CO 0.66 -0.53 -0.35 -0.70 -0.00 0.00 0.00 177.39 176.47 1i17 s GLU 103 N -2.80 0.24 0.08 1.47 2.56 -1.26 -5.09 118.70 113.89 1i17 s GLU 103 Ca 0.27 -0.44 -0.24 0.00 0.00 0.00 0.00 54.97 54.56 1i17 s GLU 103 Cb -0.00 0.08 -0.16 0.00 2.00 0.00 0.00 34.13 36.06 1i17 s GLU 103 CO 0.19 -0.04 1.68 0.00 -0.56 0.00 0.00 175.26 176.53 1i17 h ARG 104 N 5.03 -0.07 -1.49 4.30 3.08 -2.05 -3.48 114.38 119.71 1i17 h ARG 104 Ca -0.30 0.00 0.38 0.00 0.07 0.00 0.00 59.98 60.13 1i17 h ARG 104 Cb 1.21 0.02 -0.11 0.00 0.08 0.00 0.00 29.97 31.16 1i17 h ARG 104 CO 0.44 -0.00 0.95 0.20 -1.07 0.00 0.00 179.97 180.48 1i17 s GLY 105 N -2.28 -0.37 0.05 0.04 0.00 -1.26 -5.20 107.32 98.30 1i17 s GLY 105 Ca -0.14 0.59 -0.07 0.00 0.00 0.00 0.00 44.72 45.11 1i17 s GLY 105 CO 0.66 2.38 0.14 0.00 0.00 0.00 0.00 173.10 176.27 1i17 s ALA 106 N -2.11 -0.16 0.00 3.20 0.00 -1.26 -5.30 121.76 116.13 1i17 s ALA 106 Ca 0.21 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1i17 s ALA 106 Cb 0.04 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.45 1i17 s ALA 106 CO -0.04 -0.36 0.00 0.00 0.00 0.00 0.00 175.76 175.36