#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 2.39 0.09 8.89 1.01 -1.26 -5.00 120.40 126.52 1i17 s VAL 2 Ca 0.00 0.36 -0.31 0.00 0.00 0.00 0.00 61.98 62.03 1i17 s VAL 2 Cb 0.00 -3.23 -0.07 0.00 0.00 0.00 0.00 36.38 33.09 1i17 s VAL 2 CO 0.00 0.07 1.25 0.00 0.00 0.00 0.00 175.10 176.42 1i17 s ALA 3 N -0.53 3.45 -0.11 5.51 0.00 -1.26 -4.95 121.76 123.87 1i17 s ALA 3 Ca 0.56 0.93 0.28 0.00 0.00 0.00 0.00 51.96 53.73 1i17 s ALA 3 Cb -0.44 -3.46 1.34 0.00 0.00 0.00 0.00 23.12 20.56 1i17 s ALA 3 CO 0.51 -0.47 1.84 1.05 0.00 0.00 0.00 175.76 178.69 1i17 h GLU 4 N 6.57 0.00 -2.04 0.00 9.09 -2.04 -3.11 114.58 123.05 1i17 h GLU 4 Ca -0.42 0.00 -0.50 0.00 0.05 0.00 0.00 59.36 58.49 1i17 h GLU 4 Cb 1.21 0.00 -0.40 0.00 -1.65 0.00 0.00 28.75 27.91 1i17 h GLU 4 CO 0.82 0.00 -1.08 -1.71 0.05 0.00 0.00 179.01 177.09 1i17 n ASN 5 N -2.50 1.64 -4.78 3.06 5.15 -1.26 -5.05 115.26 111.52 1i17 n ASN 5 Ca -0.00 -3.15 -0.35 0.00 -0.60 0.00 0.00 54.58 50.48 1i17 n ASN 5 Cb 0.14 -0.60 -0.00 0.00 -0.53 0.00 0.00 39.78 38.78 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 -2.67 3.43 -0.00 1.20 1.70 -1.18 -4.95 118.95 116.48 1i17 s ARG 6 Ca 0.42 1.52 -0.30 0.00 -0.47 0.00 0.00 55.73 56.89 1i17 s ARG 6 Cb 0.34 -2.03 -0.08 0.00 -0.57 0.00 0.00 34.95 32.61 1i17 s ARG 6 CO -0.09 -0.77 1.92 -1.25 -1.08 0.00 0.00 175.30 174.03 1i17 s PRO 7 N -3.36 4.08 0.00 3.89 0.04 -1.26 -1.45 135.00 136.94 1i17 s PRO 7 Ca 0.71 2.48 0.00 0.00 0.04 0.00 0.00 61.00 64.23 1i17 s PRO 7 Cb -0.21 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.19 1i17 s PRO 7 CO 0.27 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 176.70 1i17 n GLY 8 N 4.54 2.00 3.74 0.56 0.00 0.49 -4.60 105.19 111.92 1i17 n GLY 8 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1i17 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i17 s ALA 9 N -2.12 3.79 0.44 4.61 0.00 -0.53 -4.27 121.76 123.67 1i17 s ALA 9 Ca 0.00 1.54 -0.25 0.00 0.00 0.00 0.00 51.96 53.25 1i17 s ALA 9 Cb 0.00 -3.65 -0.09 0.00 0.00 0.00 0.00 23.12 19.38 1i17 s ALA 9 CO 0.00 -0.93 1.31 1.19 0.00 0.00 0.00 175.76 177.33 1i17 n PHE 10 N 2.75 2.27 -3.97 0.00 3.72 -1.26 -0.89 117.46 120.08 1i17 n PHE 10 Ca 0.10 0.48 -0.30 0.00 -0.05 0.00 0.00 57.45 57.68 1i17 n PHE 10 Cb 0.37 -2.40 -0.15 0.00 -0.94 0.00 0.00 39.48 36.37 1i17 n PHE 10 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1i17 s ILE 11 N -1.20 2.33 -0.18 4.37 1.01 0.02 -4.80 121.20 122.74 1i17 s ILE 11 Ca 0.62 -2.74 -0.23 0.00 0.00 0.00 0.00 60.65 58.30 1i17 s ILE 11 Cb -0.49 -2.67 -0.02 0.00 0.01 0.00 0.00 42.46 39.29 1i17 s ILE 11 CO 0.57 -0.70 0.73 -0.54 0.00 0.00 0.00 174.94 175.00 1i17 s LYS 12 N 0.40 4.26 0.00 2.79 1.02 -1.26 -1.39 119.74 125.55 1i17 s LYS 12 Ca 0.14 0.81 0.00 0.00 0.02 0.00 0.00 55.97 56.94 1i17 s LYS 12 Cb -0.22 -3.57 0.00 0.00 -0.52 0.00 0.00 37.83 33.52 1i17 s LYS 12 CO -0.05 -0.27 0.00 1.04 -0.92 0.00 0.00 175.35 175.15 1i17 n GLN 13 N 5.11 0.00 -1.14 1.68 6.02 -1.26 -4.94 117.38 122.85 1i17 n GLN 13 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 1i17 n GLN 13 Cb 0.49 -0.91 0.00 0.00 1.02 0.00 0.00 30.24 30.85 1i17 n GLN 13 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1i17 n GLY 14 N 3.35 0.85 2.90 1.08 0.00 -1.26 -5.08 105.19 107.03 1i17 n GLY 14 Ca 0.00 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.14 2.15 -0.25 1.61 3.52 -1.26 -4.99 118.95 117.58 1i17 s ARG 15 Ca 0.00 -2.93 -0.32 0.00 -0.13 0.00 0.00 55.73 52.35 1i17 s ARG 15 Cb 0.00 -3.26 -0.09 0.00 -1.56 0.00 0.00 34.95 30.04 1i17 s ARG 15 CO 0.00 -1.21 2.16 1.17 -0.81 0.00 0.00 175.30 176.61 1i17 n LYS 16 N 2.57 1.61 -2.22 5.12 4.81 -1.26 -4.95 118.16 123.84 1i17 n LYS 16 Ca 0.13 0.47 -0.27 0.00 -0.87 0.00 0.00 58.31 57.77 1i17 n LYS 16 Cb 0.34 -2.80 0.16 0.00 0.02 0.00 0.00 35.03 32.75 1i17 n LYS 16 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1i17 s LEU 17 N 7.22 2.83 -0.41 3.14 1.43 -1.26 -5.09 118.68 126.53 1i17 s LEU 17 Ca 1.03 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 54.07 1i17 s LEU 17 Cb -0.62 -2.02 0.13 0.00 0.03 0.00 0.00 46.19 43.71 1i17 s LEU 17 CO 0.44 -2.47 0.20 -0.62 0.23 0.00 0.00 176.35 174.13 1i17 s ASP 18 N -4.87 3.78 -0.01 2.29 2.15 -1.26 -5.07 116.67 113.67 1i17 s ASP 18 Ca 0.72 -2.43 0.02 0.00 0.43 0.00 0.00 52.55 51.30 1i17 s ASP 18 Cb -0.03 -1.04 -0.00 0.00 -0.30 0.00 0.00 42.92 41.55 1i17 s ASP 18 CO 0.50 -0.30 -0.07 -0.63 -0.17 0.00 0.00 175.17 174.50 1i17 s ILE 19 N 0.60 0.58 -0.41 4.11 1.01 -1.26 -5.13 121.20 120.70 1i17 s ILE 19 Ca 0.16 -0.29 -0.24 0.00 0.00 0.00 0.00 60.65 60.27 1i17 s ILE 19 Cb -0.23 -0.50 0.02 0.00 0.01 0.00 0.00 42.46 41.76 1i17 s ILE 19 CO -0.04 0.17 0.86 -0.62 0.00 0.00 0.00 174.94 175.31 1i17 s ASP 20 N -0.04 6.53 0.00 3.58 2.15 -1.26 -4.89 116.67 122.74 1i17 s ASP 20 Ca 0.01 0.22 0.23 0.00 0.43 0.00 0.00 52.55 53.44 1i17 s ASP 20 Cb -0.04 -2.42 0.15 0.00 -0.30 0.00 0.00 42.92 40.30 1i17 s ASP 20 CO -0.00 -0.90 1.20 0.49 -0.17 0.00 0.00 175.17 175.79 1i17 n PHE 21 N 6.80 0.00 0.00 -5.34 3.72 -1.26 -5.06 117.46 116.32 1i17 n PHE 21 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1i17 n PHE 21 Cb 0.48 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 1i17 n PHE 21 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1i17 n GLY 22 N 1.39 -0.52 0.40 1.37 0.00 -1.26 -4.42 105.19 102.14 1i17 n GLY 22 Ca 0.11 -1.54 -0.06 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.17 -0.46 4.61 0.00 -1.98 0.16 119.26 121.42 1i17 h ALA 23 Ca 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1i17 h ALA 23 Cb 0.00 1.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1i17 h ALA 23 CO 0.00 -0.78 0.24 1.49 0.00 0.00 0.00 179.25 180.20 1i17 h GLU 24 N -0.03 0.64 -0.52 0.00 4.81 -2.00 -2.26 114.58 115.21 1i17 h GLU 24 Ca 0.26 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.30 1i17 h GLU 24 Cb 0.52 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1i17 h GLU 24 CO -0.93 0.52 -0.10 0.78 -0.73 0.00 0.00 179.01 178.55 1i17 h GLY 25 N 0.60 1.05 0.78 1.92 0.00 -1.45 -2.36 103.07 103.61 1i17 h GLY 25 Ca 0.16 -0.83 0.02 0.00 0.00 0.00 0.00 47.33 46.69 1i17 h GLY 25 CO -0.02 0.76 0.03 3.43 0.00 0.00 0.00 176.54 180.74 1i17 h ASN 26 N 0.87 -0.00 -0.47 0.19 2.35 -0.63 -0.23 115.58 117.66 1i17 h ASN 26 Ca 0.14 0.03 0.04 0.00 -0.55 0.00 0.00 56.30 55.96 1i17 h ASN 26 Cb 0.65 0.04 -0.04 0.00 0.05 0.00 0.00 38.32 39.02 1i17 h ASN 26 CO 0.04 0.03 0.23 0.03 -1.65 0.00 0.00 177.43 176.12 1i17 h ARG 27 N 0.11 0.45 0.34 0.81 3.08 -1.38 -0.98 114.38 116.81 1i17 h ARG 27 Ca 0.09 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1i17 h ARG 27 Cb 0.08 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1i17 h ARG 27 CO -0.12 0.30 -0.17 -0.92 -1.07 0.00 0.00 179.97 177.99 1i17 h TYR 28 N 0.46 -0.43 -0.02 3.04 3.20 -1.12 -2.75 116.97 119.36 1i17 h TYR 28 Ca 0.20 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.09 1i17 h TYR 28 Cb 0.11 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 1i17 h TYR 28 CO -0.10 -0.25 -0.14 -0.92 -1.64 0.00 0.00 178.16 175.10 1i17 h TYR 29 N -0.49 -0.37 -1.01 -3.82 3.20 -0.98 -0.74 116.97 112.76 1i17 h TYR 29 Ca -0.05 0.01 0.25 0.00 3.14 0.00 0.00 58.73 62.08 1i17 h TYR 29 Cb 0.37 0.17 -0.09 0.00 1.54 0.00 0.00 36.73 38.72 1i17 h TYR 29 CO -0.05 -0.21 0.65 0.00 -1.64 0.00 0.00 178.16 176.91 1i17 h ALA 30 N 0.73 2.17 0.00 1.82 0.00 -1.15 0.83 119.26 123.65 1i17 h ALA 30 Ca 0.05 0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.80 1i17 h ALA 30 Cb 0.31 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1i17 h ALA 30 CO -0.15 -0.55 -1.36 0.00 0.00 0.00 0.00 179.25 177.19 1i17 h ALA 31 N 1.62 0.65 0.00 0.00 0.00 -1.24 -3.42 119.26 116.87 1i17 h ALA 31 Ca 0.57 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1i17 h ALA 31 Cb 1.39 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1i17 h ALA 31 CO -0.29 1.22 0.00 0.09 0.00 0.00 0.00 179.25 180.27 1i17 n ASN 32 N -3.07 1.61 -0.36 0.00 3.02 -0.30 -4.87 115.26 111.28 1i17 n ASN 32 Ca -0.10 -1.75 0.27 0.00 -0.03 0.00 0.00 54.58 52.97 1i17 n ASN 32 Cb 0.93 0.00 0.55 0.00 -0.61 0.00 0.00 39.78 40.65 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 0.65 -1.09 3.10 -0.00 -1.10 -1.45 116.97 117.09 1i17 h TYR 33 Ca 0.00 0.02 0.30 0.00 -0.00 0.00 0.00 58.73 59.05 1i17 h TYR 33 Cb 0.51 -0.18 -0.07 0.00 -0.00 0.00 0.00 36.73 36.99 1i17 h TYR 33 CO 0.00 -0.05 0.74 0.11 -0.00 0.00 0.00 178.16 178.96 1i17 h TRP 34 N 0.29 0.37 -0.01 0.10 5.08 -1.89 -1.57 115.95 118.33 1i17 h TRP 34 Ca 0.68 0.01 -0.13 0.00 1.08 0.00 0.00 58.89 60.54 1i17 h TRP 34 Cb 1.85 -0.11 -0.02 0.00 -3.00 0.00 0.00 29.16 27.89 1i17 h TRP 34 CO -0.00 0.03 -0.59 1.96 -1.28 0.00 0.00 178.44 178.55 1i17 h GLN 35 N 0.22 0.03 -7.16 0.12 4.20 -1.67 -3.43 115.11 107.40 1i17 h GLN 35 Ca 0.58 -0.02 -0.47 0.00 0.06 0.00 0.00 58.65 58.80 1i17 h GLN 35 Cb 1.82 0.00 0.02 0.00 0.30 0.00 0.00 27.48 29.63 1i17 h GLN 35 CO -0.18 0.60 0.37 -0.06 -0.67 0.00 0.00 178.83 178.90 1i17 s PHE 36 N -3.70 3.30 -0.57 2.96 0.40 -0.59 -5.01 117.98 114.77 1i17 s PHE 36 Ca -0.02 1.51 -0.27 0.00 -0.60 0.00 0.00 56.93 57.55 1i17 s PHE 36 Cb 0.13 -2.87 0.00 0.00 0.51 0.00 0.00 43.02 40.79 1i17 s PHE 36 CO 0.76 -0.50 1.56 -1.25 0.70 0.00 0.00 175.22 176.48 1i17 s PRO 37 N -3.84 3.11 0.50 0.24 0.04 -1.26 -4.47 135.00 129.32 1i17 s PRO 37 Ca 0.61 0.51 0.28 0.00 0.04 0.00 0.00 61.00 62.45 1i17 s PRO 37 Cb -0.11 -4.21 1.18 0.00 0.04 0.00 0.00 34.50 31.39 1i17 s PRO 37 CO 0.28 -2.16 1.92 -0.44 0.04 0.00 0.00 177.00 176.64 1i17 h ASP 38 N 12.16 0.00 -5.43 6.66 3.32 -1.59 -3.45 116.42 128.10 1i17 h ASP 38 Ca -0.27 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.50 1i17 h ASP 38 Cb 1.11 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.52 1i17 h ASP 38 CO 1.19 0.13 -0.61 -0.83 -1.72 0.00 0.00 179.24 177.39 1i17 s GLY 39 N -4.23 1.55 -0.04 2.75 0.00 -0.69 -5.04 107.32 101.62 1i17 s GLY 39 Ca 0.00 -1.75 -0.00 0.00 0.00 0.00 0.00 44.72 42.97 1i17 s GLY 39 CO 0.59 -1.44 0.01 -0.42 0.00 0.00 0.00 173.10 171.84 1i17 s ILE 40 N -4.04 0.19 -0.49 0.90 1.01 -1.26 -0.80 121.20 116.70 1i17 s ILE 40 Ca 0.39 0.15 -0.28 0.00 0.00 0.00 0.00 60.65 60.91 1i17 s ILE 40 Cb 0.07 -0.33 0.00 0.00 0.01 0.00 0.00 42.46 42.21 1i17 s ILE 40 CO 0.13 0.18 1.51 -0.47 0.00 0.00 0.00 174.94 176.30 1i17 s TYR 41 N 1.46 2.19 -0.17 3.97 5.04 -0.07 -4.95 117.35 124.82 1i17 s TYR 41 Ca -0.04 0.58 -0.19 0.00 -2.44 0.00 0.00 57.07 54.99 1i17 s TYR 41 Cb -0.13 -4.30 0.05 0.00 0.35 0.00 0.00 41.96 37.93 1i17 s TYR 41 CO -0.03 -2.14 0.52 -0.47 -1.34 0.00 0.00 175.55 172.10 1i17 s TYR 42 N 6.30 -0.56 -0.42 4.97 5.04 -1.26 -0.38 117.35 131.05 1i17 s TYR 42 Ca 0.60 1.30 0.04 0.00 -2.44 0.00 0.00 57.07 56.57 1i17 s TYR 42 Cb -0.13 0.21 0.11 0.00 0.35 0.00 0.00 41.96 42.50 1i17 s TYR 42 CO 0.28 -0.32 0.14 -1.21 -1.34 0.00 0.00 175.55 173.10 1i17 s GLU 43 N 0.03 1.69 -0.01 4.97 2.02 -1.26 -5.00 118.70 121.15 1i17 s GLU 43 Ca -0.02 -2.19 -0.00 0.00 0.02 0.00 0.00 54.97 52.78 1i17 s GLU 43 Cb -0.04 -3.26 -0.00 0.00 0.10 0.00 0.00 34.13 30.93 1i17 s GLU 43 CO 0.02 -1.01 -0.01 0.78 0.02 0.00 0.00 175.26 175.06 1i17 h GLY 44 N 7.15 0.00 -3.81 -1.39 0.00 -1.97 -3.48 103.07 99.57 1i17 h GLY 44 Ca -0.06 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.76 1i17 h GLY 44 CO 0.59 0.00 0.55 0.00 0.00 0.00 0.00 176.54 177.68 1i17 n SER 46 N 0.95 3.79 -3.80 0.00 7.64 -1.26 -5.08 113.62 115.86 1i17 n SER 46 Ca -0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.75 1i17 n SER 46 Cb 0.43 0.45 -0.09 0.00 -1.01 0.00 0.00 64.21 63.99 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 -1.71 0.62 0.58 1.43 -1.05 -1.26 -5.07 118.70 112.23 1i17 s GLU 47 Ca 0.00 -0.31 0.28 0.00 -0.15 0.00 0.00 54.97 54.79 1i17 s GLU 47 Cb 0.00 0.27 1.52 0.00 -0.44 0.00 0.00 34.13 35.47 1i17 s GLU 47 CO 0.00 -0.17 1.97 0.00 0.95 0.00 0.00 175.26 178.02 1i17 h ALA 48 N 3.94 2.14 0.00 -0.84 0.00 -1.99 -1.57 119.26 120.93 1i17 h ALA 48 Ca -0.30 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 1i17 h ALA 48 Cb 1.18 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1i17 h ALA 48 CO 0.41 -0.59 -0.24 -0.91 0.00 0.00 0.00 179.25 177.92 1i17 h ASN 49 N 0.00 0.00 -3.47 0.00 2.35 -1.98 -3.45 115.58 109.03 1i17 h ASN 49 Ca 0.19 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.41 1i17 h ASN 49 Cb 0.96 0.00 0.07 0.00 0.05 0.00 0.00 38.32 39.40 1i17 h ASN 49 CO -0.00 0.24 0.80 0.54 -1.65 0.00 0.00 177.43 177.37 1i17 s VAL 50 N -4.41 2.34 0.38 2.81 0.11 -0.60 -4.44 120.40 116.60 1i17 s VAL 50 Ca -0.03 0.30 0.07 0.00 -2.93 0.00 0.00 61.98 59.39 1i17 s VAL 50 Cb 0.15 -3.19 -0.00 0.00 -1.53 0.00 0.00 36.38 31.80 1i17 s VAL 50 CO 0.69 0.05 0.48 0.42 -3.33 0.00 0.00 175.10 173.42 1i17 s THR 51 N -0.24 3.38 0.13 5.04 -4.23 -1.26 -4.98 115.64 113.48 1i17 s THR 51 Ca 0.59 -1.08 -0.19 0.00 -1.18 0.00 0.00 61.69 59.83 1i17 s THR 51 Cb -0.45 -3.16 -0.05 0.00 1.34 0.00 0.00 72.50 70.19 1i17 s THR 51 CO 0.48 -0.07 1.77 0.50 -0.54 0.00 0.00 174.62 176.77 1i17 h LYS 52 N 0.84 0.26 -0.52 3.99 3.64 -1.98 -0.69 116.57 122.11 1i17 h LYS 52 Ca -0.43 -0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.04 1i17 h LYS 52 Cb 1.27 -0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 32.93 1i17 h LYS 52 CO 0.50 0.17 -0.21 0.93 -2.27 0.00 0.00 179.45 178.58 1i17 h GLU 53 N 0.27 -0.09 0.40 1.90 3.07 -1.99 0.49 114.58 118.63 1i17 h GLU 53 Ca 0.09 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.95 1i17 h GLU 53 Cb 0.00 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.92 1i17 h GLU 53 CO -0.05 -0.06 -0.35 0.52 -1.40 0.00 0.00 179.01 177.68 1i17 h MET 54 N -0.09 -0.73 0.06 2.33 2.86 -1.92 -2.76 114.93 114.68 1i17 h MET 54 Ca 0.24 0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.95 1i17 h MET 54 Cb 0.47 0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 1i17 h MET 54 CO -0.58 -0.49 -0.23 1.25 1.06 0.00 0.00 176.91 177.93 1i17 h LEU 55 N -0.76 -0.65 -0.10 1.22 6.46 -0.48 -0.73 115.31 120.26 1i17 h LEU 55 Ca -0.03 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1i17 h LEU 55 Cb 0.67 0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 40.85 1i17 h LEU 55 CO -0.03 -0.31 0.06 0.58 -0.62 0.00 0.00 178.44 178.13 1i17 h VAL 56 N -0.39 1.04 -0.11 1.05 2.07 -1.01 0.34 116.25 119.24 1i17 h VAL 56 Ca 0.04 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1i17 h VAL 56 Cb 0.44 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1i17 h VAL 56 CO -0.16 0.04 0.06 0.74 0.02 0.00 0.00 177.57 178.27 1i17 h THR 57 N 0.12 1.01 -0.96 2.57 2.02 -1.45 -2.23 112.91 113.99 1i17 h THR 57 Ca 0.04 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1i17 h THR 57 Cb 0.01 0.87 -0.05 0.00 -1.74 0.00 0.00 68.15 67.24 1i17 h THR 57 CO -0.01 0.02 0.61 0.28 0.37 0.00 0.00 175.52 176.80 1i17 h SER 58 N 0.13 1.12 -0.13 4.18 0.02 -0.97 -1.86 113.55 116.04 1i17 h SER 58 Ca 0.04 -0.05 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1i17 h SER 58 Cb -0.00 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 1i17 h SER 58 CO -0.02 0.83 0.01 0.00 -1.14 0.00 0.00 176.83 176.51 1i17 h VAL 60 N 0.05 0.77 -0.54 0.00 2.07 -1.18 -0.07 116.25 117.35 1i17 h VAL 60 Ca 0.06 -0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.62 1i17 h VAL 60 Cb 0.07 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1i17 h VAL 60 CO -0.10 0.00 0.30 0.78 0.02 0.00 0.00 177.57 178.58 1i17 h ASN 61 N 0.00 0.46 -0.17 0.57 2.35 -1.11 -0.70 115.58 116.98 1i17 h ASN 61 Ca 0.11 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 1i17 h ASN 61 Cb 0.17 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1i17 h ASN 61 CO -0.24 0.32 0.08 0.00 -1.65 0.00 0.00 177.43 175.94 1i17 h ALA 62 N 1.27 0.22 -0.29 -0.83 0.00 -0.53 -2.40 119.26 116.69 1i17 h ALA 62 Ca 0.23 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1i17 h ALA 62 Cb 0.09 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1i17 h ALA 62 CO -0.13 -0.23 -0.04 1.15 0.00 0.00 0.00 179.25 179.99 1i17 h THR 63 N 0.15 0.74 -0.11 0.00 2.02 -0.78 -0.29 112.91 114.65 1i17 h THR 63 Ca 0.06 -0.01 0.03 0.00 0.77 0.00 0.00 66.41 67.25 1i17 h THR 63 Cb 0.10 0.70 -0.06 0.00 -1.74 0.00 0.00 68.15 67.15 1i17 h THR 63 CO -0.01 0.01 -0.55 1.56 0.37 0.00 0.00 175.52 176.90 1i17 h GLN 64 N 0.04 -0.58 -0.75 6.66 4.20 -1.08 -1.77 115.11 121.81 1i17 h GLN 64 Ca 0.14 0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.95 1i17 h GLN 64 Cb 0.20 0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.06 1i17 h GLN 64 CO -0.27 -0.39 0.44 0.00 -0.67 0.00 0.00 178.83 177.94 1i17 h ALA 65 N -0.32 1.03 -0.43 3.87 0.00 -1.15 -3.02 119.26 119.23 1i17 h ALA 65 Ca 0.03 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1i17 h ALA 65 Cb 0.69 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1i17 h ALA 65 CO -0.42 0.14 -0.31 0.00 0.00 0.00 0.00 179.25 178.66 1i17 h ALA 66 N 1.38 0.63 -0.75 0.00 0.00 -0.89 -3.36 119.26 116.26 1i17 h ALA 66 Ca 0.34 -0.43 -0.55 0.00 0.00 0.00 0.00 54.91 54.27 1i17 h ALA 66 Cb 0.19 -0.14 -0.40 0.00 0.00 0.00 0.00 17.79 17.43 1i17 h ALA 66 CO -0.18 0.68 -0.65 0.09 0.00 0.00 0.00 179.25 179.18 1i17 n ASN 67 N -4.08 5.09 -0.24 0.00 3.02 -0.68 -4.84 115.26 113.53 1i17 n ASN 67 Ca -0.01 -3.76 0.03 0.00 -0.03 0.00 0.00 54.58 50.81 1i17 n ASN 67 Cb 0.51 -0.41 0.15 0.00 -0.61 0.00 0.00 39.78 39.43 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 2.13 0.43 -0.33 3.52 4.20 -1.69 -2.08 115.11 121.27 1i17 h GLN 68 Ca 0.38 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 59.13 1i17 h GLN 68 Cb 1.46 -0.10 -0.06 0.00 0.30 0.00 0.00 27.48 29.09 1i17 h GLN 68 CO 0.82 0.28 -0.02 0.00 -0.67 0.00 0.00 178.83 179.23 1i17 h ALA 69 N 1.50 0.28 -0.18 3.87 0.00 -1.91 -1.26 119.26 121.56 1i17 h ALA 69 Ca 0.37 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1i17 h ALA 69 Cb 0.52 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1i17 h ALA 69 CO -0.36 -0.42 0.11 0.93 0.00 0.00 0.00 179.25 179.50 1i17 h GLU 70 N 0.07 0.22 0.00 0.00 4.39 -1.79 -0.71 114.58 116.75 1i17 h GLU 70 Ca 0.16 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 1i17 h GLU 70 Cb 0.23 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1i17 h GLU 70 CO -0.29 0.14 -0.11 0.74 -1.16 0.00 0.00 179.01 178.33 1i17 h PHE 71 N 0.23 0.00 0.30 4.33 0.04 -1.31 0.08 116.94 120.61 1i17 h PHE 71 Ca 0.07 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 1i17 h PHE 71 Cb -0.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.14 1i17 h PHE 71 CO -0.07 0.11 -0.14 1.03 -0.60 0.00 0.00 178.31 178.64 1i17 h SER 72 N 0.00 -0.34 0.49 2.17 0.87 -0.83 -3.39 113.55 112.52 1i17 h SER 72 Ca -0.00 -0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.37 1i17 h SER 72 Cb 0.36 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 1i17 h SER 72 CO 0.01 0.13 -0.44 0.03 -0.53 0.00 0.00 176.83 176.04 1i17 h ARG 73 N -0.97 -0.88 -2.15 2.24 3.08 -0.91 -3.34 114.38 111.45 1i17 h ARG 73 Ca -0.04 0.06 -0.46 0.00 0.07 0.00 0.00 59.98 59.60 1i17 h ARG 73 Cb 0.49 0.20 -0.13 0.00 0.08 0.00 0.00 29.97 30.61 1i17 h ARG 73 CO 0.07 -0.59 0.71 0.39 -1.07 0.00 0.00 179.97 179.47 1i17 n GLU 74 N -5.12 2.70 0.06 0.04 -0.58 -0.00 -3.93 120.64 113.81 1i17 n GLU 74 Ca -0.11 -2.15 0.00 0.00 -0.42 0.00 0.00 57.16 54.48 1i17 n GLU 74 Cb 0.41 -2.22 0.00 0.00 -0.57 0.00 0.00 31.44 29.06 1i17 n GLU 74 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1i17 n LYS 75 N 1.60 0.00 0.32 3.49 4.81 -1.25 -3.94 118.16 123.19 1i17 n LYS 75 Ca 0.51 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.80 1i17 n LYS 75 Cb 0.58 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.55 1i17 n LYS 75 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1i17 h GLN 76 N 0.00 -0.90 0.00 1.64 1.08 -1.72 -2.97 115.11 112.24 1i17 h GLN 76 Ca 0.00 0.06 -0.06 0.00 -1.45 0.00 0.00 58.65 57.21 1i17 h GLN 76 Cb 0.00 0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 1i17 h GLN 76 CO 0.00 -0.60 -0.32 0.22 -0.95 0.00 0.00 178.83 177.17 1i17 h ASP 77 N -0.94 0.00 0.00 1.46 3.58 -1.94 -3.41 116.42 115.18 1i17 h ASP 77 Ca -0.08 -0.72 -0.36 0.00 0.42 0.00 0.00 57.03 56.29 1i17 h ASP 77 Cb 0.77 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.81 1i17 h ASP 77 CO 0.04 1.05 1.72 -1.20 -2.88 0.00 0.00 179.24 177.97 1i17 n SER 78 N -4.59 5.67 -0.04 2.28 7.64 -1.25 -4.74 113.62 118.59 1i17 n SER 78 Ca -0.14 -2.37 -0.08 0.00 1.01 0.00 0.00 58.87 57.29 1i17 n SER 78 Cb 0.46 -1.24 -0.02 0.00 -1.01 0.00 0.00 64.21 62.41 1i17 n SER 78 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1i17 h LYS 79 N 4.75 -0.09 -0.64 1.43 1.57 -1.76 -2.24 116.57 119.59 1i17 h LYS 79 Ca 0.45 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.30 1i17 h LYS 79 Cb 0.65 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.95 1i17 h LYS 79 CO 1.03 -0.06 0.43 1.25 -0.57 0.00 0.00 179.45 181.52 1i17 h LEU 80 N -0.10 0.54 -0.59 2.94 5.85 -1.89 -3.09 115.31 118.97 1i17 h LEU 80 Ca 0.12 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.94 1i17 h LEU 80 Cb 0.28 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.12 1i17 h LEU 80 CO -0.28 0.35 0.19 -0.74 -0.34 0.00 0.00 178.44 177.62 1i17 h HIS 81 N 0.62 0.32 -0.37 1.25 2.76 -1.68 -2.84 115.15 115.21 1i17 h HIS 81 Ca 0.28 0.03 0.07 0.00 -2.20 0.00 0.00 60.37 58.55 1i17 h HIS 81 Cb 0.31 -0.05 -0.09 0.00 1.55 0.00 0.00 27.41 29.13 1i17 h HIS 81 CO -0.00 0.05 -0.37 1.96 -1.30 0.00 0.00 177.93 178.27 1i17 h GLN 82 N 0.35 -0.30 -0.30 5.26 1.08 -1.64 0.68 115.11 120.24 1i17 h GLN 82 Ca 0.30 0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.57 1i17 h GLN 82 Cb 0.40 0.07 -0.07 0.00 -0.05 0.00 0.00 27.48 27.83 1i17 h GLN 82 CO -0.33 -0.20 -0.55 -0.09 -0.95 0.00 0.00 178.83 176.71 1i17 h ARG 83 N -0.31 -0.46 0.05 1.46 2.43 -1.68 0.20 114.38 116.07 1i17 h ARG 83 Ca 0.15 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1i17 h ARG 83 Cb 0.57 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1i17 h ARG 83 CO -0.53 -0.30 -0.02 0.28 -1.51 0.00 0.00 179.97 177.88 1i17 h VAL 84 N -0.47 0.99 -0.11 0.20 2.07 -1.49 -1.78 116.25 115.65 1i17 h VAL 84 Ca 0.06 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.50 1i17 h VAL 84 Cb 0.63 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1i17 h VAL 84 CO -0.53 0.03 -0.05 0.25 0.02 0.00 0.00 177.57 177.28 1i17 h LEU 85 N -0.11 -0.18 -0.46 2.57 5.85 -0.70 -0.94 115.31 121.35 1i17 h LEU 85 Ca -0.01 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1i17 h LEU 85 Cb 0.09 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1i17 h LEU 85 CO 0.01 -0.07 0.23 -0.50 -0.34 0.00 0.00 178.44 177.76 1i17 h TRP 86 N -0.05 0.65 -0.32 1.25 4.06 -0.93 -0.07 115.95 120.54 1i17 h TRP 86 Ca 0.06 -0.03 0.06 0.00 2.06 0.00 0.00 58.89 61.04 1i17 h TRP 86 Cb 0.14 -0.20 -0.05 0.00 -1.00 0.00 0.00 29.16 28.04 1i17 h TRP 86 CO -0.18 0.51 -0.02 -0.09 -3.56 0.00 0.00 178.44 175.11 1i17 h ARG 87 N 0.60 0.07 0.23 0.49 9.65 -1.16 -0.32 114.38 123.93 1i17 h ARG 87 Ca 0.16 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.04 1i17 h ARG 87 Cb 0.10 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.65 1i17 h ARG 87 CO -0.02 0.04 -0.22 1.25 2.80 0.00 0.00 179.97 183.82 1i17 h LEU 88 N 0.07 -0.59 -0.30 3.80 5.85 -0.98 -0.71 115.31 122.45 1i17 h LEU 88 Ca 0.15 0.05 0.07 0.00 0.84 0.00 0.00 57.88 59.00 1i17 h LEU 88 Cb 0.22 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.37 1i17 h LEU 88 CO -0.28 -0.33 -0.23 0.40 -0.34 0.00 0.00 178.44 177.67 1i17 h ILE 89 N -0.48 0.40 -0.50 4.05 2.04 -0.80 -0.29 117.51 121.94 1i17 h ILE 89 Ca -0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1i17 h ILE 89 Cb 0.44 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1i17 h ILE 89 CO -0.05 0.00 0.32 0.11 0.00 0.00 0.00 178.15 178.53 1i17 h LYS 90 N -0.20 0.64 -0.28 2.37 1.57 -0.98 0.51 116.57 120.19 1i17 h LYS 90 Ca 0.16 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1i17 h LYS 90 Cb 0.44 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 1i17 h LYS 90 CO -0.42 0.42 0.02 0.93 -0.57 0.00 0.00 179.45 179.84 1i17 h GLU 91 N 0.66 0.11 0.06 3.15 4.39 -0.76 0.32 114.58 122.50 1i17 h GLU 91 Ca 0.19 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.90 1i17 h GLU 91 Cb -0.06 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 1i17 h GLU 91 CO -0.05 0.07 -0.15 0.82 -1.16 0.00 0.00 179.01 178.54 1i17 h ILE 92 N 0.11 0.65 -0.49 3.13 2.04 -0.72 0.26 117.51 122.50 1i17 h ILE 92 Ca 0.13 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.05 1i17 h ILE 92 Cb 0.16 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 1i17 h ILE 92 CO -0.20 0.00 0.20 0.00 0.00 0.00 0.00 178.15 178.14 1i17 h SER 94 N 0.39 0.61 0.07 0.00 0.02 -0.79 -3.29 113.55 110.57 1i17 h SER 94 Ca 0.23 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1i17 h SER 94 Cb 0.21 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1i17 h SER 94 CO -0.21 0.44 -0.03 0.00 -1.14 0.00 0.00 176.83 175.89 1i17 h ALA 95 N 1.19 -0.10 -0.83 3.77 0.00 -0.53 -3.42 119.26 119.35 1i17 h ALA 95 Ca 0.19 -0.12 -0.29 0.00 0.00 0.00 0.00 54.91 54.70 1i17 h ALA 95 Cb -0.08 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1i17 h ALA 95 CO -0.04 -0.45 0.76 -1.59 0.00 0.00 0.00 179.25 177.93 1i17 s LYS 96 N -5.31 2.37 0.58 0.00 -2.85 -0.60 -4.97 119.74 108.96 1i17 s LYS 96 Ca -0.14 0.10 -0.17 0.00 -1.00 0.00 0.00 55.97 54.76 1i17 s LYS 96 Cb 0.04 -4.87 -0.04 0.00 -2.06 0.00 0.00 37.83 30.90 1i17 s LYS 96 CO 0.65 -3.46 1.07 -1.01 0.10 0.00 0.00 175.35 172.70 1i17 s HIS 97 N 10.88 2.90 0.48 1.78 3.76 -1.26 -4.99 115.29 128.84 1i17 s HIS 97 Ca 0.75 1.53 -0.22 0.00 -0.15 0.00 0.00 55.06 56.97 1i17 s HIS 97 Cb -0.09 -3.07 -0.07 0.00 1.11 0.00 0.00 32.58 30.45 1i17 s HIS 97 CO 0.06 -1.21 1.15 0.00 -0.85 0.00 0.00 174.74 173.89 1i17 h ASP 99 N 1.86 0.69 -0.57 0.00 3.58 -1.98 -3.34 116.42 116.66 1i17 h ASP 99 Ca -0.49 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 56.69 1i17 h ASP 99 Cb 1.25 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.12 1i17 h ASP 99 CO 0.59 0.78 0.00 2.22 -2.88 0.00 0.00 179.24 179.95 1i17 n PHE 100 N -4.48 0.76 -1.68 0.28 1.16 -1.26 -5.00 117.46 107.24 1i17 n PHE 100 Ca 0.00 -0.41 -0.46 0.00 -1.87 0.00 0.00 57.45 54.72 1i17 n PHE 100 Cb 0.24 -0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.07 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 1.49 2.39 -1.80 2.97 8.01 -1.26 -4.92 117.44 124.32 1i17 n TRP 101 Ca 0.21 0.08 -0.32 0.00 -1.31 0.00 0.00 57.50 56.17 1i17 n TRP 101 Cb 0.60 -2.63 0.03 0.00 -2.01 0.00 0.00 31.31 27.30 1i17 n TRP 101 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1i17 s LEU 102 N 2.25 3.31 0.30 -0.99 1.43 -1.26 -4.99 118.68 118.73 1i17 s LEU 102 Ca 0.83 1.72 -0.01 0.00 -1.03 0.00 0.00 54.13 55.64 1i17 s LEU 102 Cb -0.63 -4.51 0.46 0.00 0.03 0.00 0.00 46.19 41.54 1i17 s LEU 102 CO 0.41 -1.32 1.95 1.05 0.23 0.00 0.00 176.35 178.68 1i17 h GLU 103 N -0.15 1.01 -3.84 1.70 4.11 -2.02 -3.44 114.58 111.95 1i17 h GLU 103 Ca -0.45 -0.08 -0.17 0.00 0.07 0.00 0.00 59.36 58.73 1i17 h GLU 103 Cb 1.22 -0.22 -0.21 0.00 0.50 0.00 0.00 28.75 30.04 1i17 h GLU 103 CO 0.57 0.70 -0.64 1.03 0.07 0.00 0.00 179.01 180.74 1i17 s ARG 104 N -5.79 0.34 -0.05 1.06 0.52 -1.26 -5.18 118.95 108.59 1i17 s ARG 104 Ca -0.11 -0.52 -0.22 0.00 -0.52 0.00 0.00 55.73 54.36 1i17 s ARG 104 Cb 0.17 0.13 0.07 0.00 0.52 0.00 0.00 34.95 35.84 1i17 s ARG 104 CO 0.79 -0.07 0.97 0.41 0.02 0.00 0.00 175.30 177.42 1i17 n GLY 105 N 1.62 0.22 3.43 -3.53 0.00 -1.26 -5.17 105.19 100.49 1i17 n GLY 105 Ca -0.23 -0.96 -0.15 0.00 0.00 0.00 0.00 46.02 44.68 1i17 n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i17 s ALA 106 N -1.72 0.94 0.00 4.61 0.00 -1.26 -5.17 121.76 119.16 1i17 s ALA 106 Ca 0.23 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.60 1i17 s ALA 106 Cb -0.00 1.24 0.00 0.00 0.00 0.00 0.00 23.12 24.36 1i17 s ALA 106 CO -0.02 -0.75 0.05 0.00 0.00 0.00 0.00 175.76 175.04