#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 3.61 0.41 8.89 1.01 -1.26 -4.91 120.40 128.15 1i17 s VAL 2 Ca 0.00 0.58 0.08 0.00 0.00 0.00 0.00 61.98 62.64 1i17 s VAL 2 Cb 0.00 -3.95 0.25 0.00 0.00 0.00 0.00 36.38 32.69 1i17 s VAL 2 CO 0.00 -0.69 2.05 0.00 0.00 0.00 0.00 175.10 176.46 1i17 h ALA 3 N 12.42 1.70 0.00 5.51 0.00 -2.07 -1.79 119.26 135.03 1i17 h ALA 3 Ca -0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1i17 h ALA 3 Cb 1.14 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1i17 h ALA 3 CO 1.10 0.26 0.00 0.39 0.00 0.00 0.00 179.25 181.00 1i17 n GLU 4 N -4.46 0.14 -3.04 0.00 1.02 -1.26 -2.77 120.64 110.28 1i17 n GLU 4 Ca 0.02 0.57 -0.22 0.00 -0.02 0.00 0.00 57.16 57.52 1i17 n GLU 4 Cb 0.09 -1.91 -0.03 0.00 -0.02 0.00 0.00 31.44 29.57 1i17 n GLU 4 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1i17 n ASN 5 N -2.20 2.62 -4.86 1.62 4.05 -0.67 -4.97 115.26 110.85 1i17 n ASN 5 Ca -0.00 -3.33 -0.31 0.00 0.45 0.00 0.00 54.58 51.38 1i17 n ASN 5 Cb 0.08 -0.59 -0.04 0.00 1.23 0.00 0.00 39.78 40.46 1i17 n ASN 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1i17 s ARG 6 N -2.96 3.89 -0.16 1.20 1.70 -1.11 -4.81 118.95 116.70 1i17 s ARG 6 Ca 0.44 0.64 -0.37 0.00 -0.47 0.00 0.00 55.73 55.97 1i17 s ARG 6 Cb 0.32 -2.35 -0.14 0.00 -0.57 0.00 0.00 34.95 32.22 1i17 s ARG 6 CO -0.11 -0.03 1.78 -2.30 -1.08 0.00 0.00 175.30 173.57 1i17 n PRO 7 N -1.07 1.65 0.00 3.89 -0.02 -1.26 -1.82 135.00 136.37 1i17 n PRO 7 Ca 0.04 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1i17 n PRO 7 Cb 0.54 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 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 4.17 2.51 3.68 -1.23 0.00 0.56 -4.57 105.19 110.31 1i17 n GLY 8 Ca 0.24 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.47 1.61 -1.70 4.61 0.00 -0.76 -4.28 120.51 119.52 1i17 n ALA 9 Ca 0.00 0.44 -0.39 0.00 0.00 0.00 0.00 53.44 53.48 1i17 n ALA 9 Cb 0.00 -2.38 0.03 0.00 0.00 0.00 0.00 19.45 17.11 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 3.37 1.98 -3.94 0.00 3.72 -1.26 -1.05 117.46 120.29 1i17 n PHE 10 Ca 0.16 0.46 -0.30 0.00 -0.05 0.00 0.00 57.45 57.72 1i17 n PHE 10 Cb 0.30 -2.33 -0.15 0.00 -0.94 0.00 0.00 39.48 36.36 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 -1.29 1.57 -0.85 4.37 1.01 -0.07 -4.80 121.20 121.14 1i17 s ILE 11 Ca 0.68 -1.35 -0.05 0.00 0.00 0.00 0.00 60.65 59.94 1i17 s ILE 11 Cb -0.45 -1.88 0.21 0.00 0.01 0.00 0.00 42.46 40.35 1i17 s ILE 11 CO 0.52 -0.18 0.74 -0.54 0.00 0.00 0.00 174.94 175.48 1i17 s LYS 12 N 1.36 3.29 0.13 2.79 1.02 -1.26 -1.65 119.74 125.41 1i17 s LYS 12 Ca -0.03 -2.96 -0.04 0.00 0.02 0.00 0.00 55.97 52.96 1i17 s LYS 12 Cb -0.19 -4.06 -0.10 0.00 -0.52 0.00 0.00 37.83 32.96 1i17 s LYS 12 CO -0.08 -1.24 1.30 1.96 -0.92 0.00 0.00 175.35 176.37 1i17 h GLN 13 N 6.63 0.37 0.00 1.68 4.20 -1.95 -3.49 115.11 122.55 1i17 h GLN 13 Ca 0.11 -0.42 0.00 0.00 0.06 0.00 0.00 58.65 58.40 1i17 h GLN 13 Cb 0.89 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.79 1i17 h GLN 13 CO 0.83 1.10 0.00 0.41 -0.67 0.00 0.00 178.83 180.49 1i17 n GLY 14 N 1.00 0.92 3.62 3.46 0.00 -1.26 -5.07 105.19 107.87 1i17 n GLY 14 Ca -0.06 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.50 3.73 -0.52 1.61 3.52 -1.26 -4.79 118.95 120.75 1i17 s ARG 15 Ca 0.00 1.61 -0.28 0.00 -0.13 0.00 0.00 55.73 56.93 1i17 s ARG 15 Cb 0.00 -4.06 0.01 0.00 -1.56 0.00 0.00 34.95 29.34 1i17 s ARG 15 CO 0.00 -1.37 1.46 0.21 -0.81 0.00 0.00 175.30 174.79 1i17 s LYS 16 N 4.80 3.33 1.00 5.12 2.20 -1.26 -4.82 119.74 130.11 1i17 s LYS 16 Ca 0.72 0.63 -0.17 0.00 -0.36 0.00 0.00 55.97 56.79 1i17 s LYS 16 Cb -0.24 -4.12 0.23 0.00 -1.51 0.00 0.00 37.83 32.19 1i17 s LYS 16 CO 0.30 -1.89 1.35 -0.51 -0.36 0.00 0.00 175.35 174.24 1i17 s LEU 17 N 6.12 2.71 -0.29 5.43 1.43 -1.26 -5.10 118.68 127.73 1i17 s LEU 17 Ca 0.57 0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.83 1i17 s LEU 17 Cb -0.12 -2.11 0.09 0.00 0.03 0.00 0.00 46.19 44.08 1i17 s LEU 17 CO 0.27 -2.94 0.08 -0.62 0.23 0.00 0.00 176.35 173.37 1i17 s ASP 18 N -4.93 3.85 -0.04 2.29 2.15 -1.26 -5.04 116.67 113.69 1i17 s ASP 18 Ca 0.76 -1.48 0.01 0.00 0.43 0.00 0.00 52.55 52.27 1i17 s ASP 18 Cb -0.02 -0.85 0.02 0.00 -0.30 0.00 0.00 42.92 41.77 1i17 s ASP 18 CO 0.54 -0.38 -0.02 -0.63 -0.17 0.00 0.00 175.17 174.51 1i17 s ILE 19 N 1.63 0.33 -1.12 4.11 1.01 -1.26 -5.09 121.20 120.81 1i17 s ILE 19 Ca 0.07 0.01 -0.17 0.00 0.00 0.00 0.00 60.65 60.56 1i17 s ILE 19 Cb -0.17 -0.40 0.13 0.00 0.01 0.00 0.00 42.46 42.03 1i17 s ILE 19 CO -0.21 0.18 1.39 -0.62 0.00 0.00 0.00 174.94 175.68 1i17 s ASP 20 N 1.04 6.85 0.15 3.58 2.15 -1.26 -4.80 116.67 124.38 1i17 s ASP 20 Ca -0.09 -2.48 -0.14 0.00 0.43 0.00 0.00 52.55 50.26 1i17 s ASP 20 Cb -0.14 -2.44 0.04 0.00 -0.30 0.00 0.00 42.92 40.08 1i17 s ASP 20 CO -0.01 -0.98 1.73 -0.26 -0.17 0.00 0.00 175.17 175.48 1i17 h PHE 21 N 7.98 0.72 0.00 -5.34 0.04 -1.98 -3.50 116.94 114.86 1i17 h PHE 21 Ca 0.28 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 61.01 1i17 h PHE 21 Cb 0.93 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.86 1i17 h PHE 21 CO 1.19 0.58 0.00 0.41 -0.60 0.00 0.00 178.31 179.89 1i17 n GLY 22 N -0.88 4.07 0.37 -1.45 0.00 -1.26 -4.88 105.19 101.16 1i17 n GLY 22 Ca 0.02 -1.62 -0.02 0.00 0.00 0.00 0.00 46.02 44.40 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 0.12 -0.11 4.61 0.00 -1.99 0.18 119.26 122.07 1i17 h ALA 23 Ca 0.00 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1i17 h ALA 23 Cb 0.00 0.93 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1i17 h ALA 23 CO 0.00 -0.63 -0.00 1.49 0.00 0.00 0.00 179.25 180.11 1i17 h GLU 24 N -0.05 0.20 -0.69 0.00 4.81 -2.00 -2.96 114.58 113.89 1i17 h GLU 24 Ca 0.32 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.41 1i17 h GLU 24 Cb 0.59 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 1i17 h GLU 24 CO -0.90 0.45 0.16 0.78 -0.73 0.00 0.00 179.01 178.78 1i17 h GLY 25 N -0.07 1.20 0.51 1.92 0.00 -1.62 -1.55 103.07 103.45 1i17 h GLY 25 Ca 0.03 -0.76 0.04 0.00 0.00 0.00 0.00 47.33 46.65 1i17 h GLY 25 CO 0.01 0.71 -0.10 3.43 0.00 0.00 0.00 176.54 180.59 1i17 h ASN 26 N 1.05 -0.32 -0.39 0.19 2.35 -0.76 -0.27 115.58 117.43 1i17 h ASN 26 Ca 0.22 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1i17 h ASN 26 Cb 0.38 0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.91 1i17 h ASN 26 CO 0.00 -0.13 0.25 0.03 -1.65 0.00 0.00 177.43 175.94 1i17 h ARG 27 N -0.08 0.52 0.32 0.81 3.08 -1.35 -0.95 114.38 116.73 1i17 h ARG 27 Ca 0.10 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1i17 h ARG 27 Cb 0.23 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1i17 h ARG 27 CO -0.24 0.35 -0.25 -0.92 -1.07 0.00 0.00 179.97 177.85 1i17 h TYR 28 N 0.53 -0.65 -0.04 3.04 3.20 -1.03 -2.68 116.97 119.33 1i17 h TYR 28 Ca 0.14 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.03 1i17 h TYR 28 Cb -0.05 0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 1i17 h TYR 28 CO -0.05 -0.37 -0.10 -0.92 -1.64 0.00 0.00 178.16 175.08 1i17 h TYR 29 N -0.57 -0.26 -0.92 -3.82 3.20 -1.00 -0.79 116.97 112.81 1i17 h TYR 29 Ca -0.02 0.01 0.24 0.00 3.14 0.00 0.00 58.73 62.09 1i17 h TYR 29 Cb 0.50 0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.83 1i17 h TYR 29 CO -0.13 -0.16 0.63 0.00 -1.64 0.00 0.00 178.16 176.86 1i17 h ALA 30 N 0.85 2.49 0.00 1.82 0.00 -1.12 0.12 119.26 123.42 1i17 h ALA 30 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.72 1i17 h ALA 30 Cb 0.23 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1i17 h ALA 30 CO -0.13 -0.78 -1.54 0.00 0.00 0.00 0.00 179.25 176.80 1i17 h ALA 31 N 1.59 0.71 0.00 0.00 0.00 -1.19 -3.42 119.26 116.94 1i17 h ALA 31 Ca 0.46 -1.22 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1i17 h ALA 31 Cb 1.45 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1i17 h ALA 31 CO -0.12 1.34 0.00 0.09 0.00 0.00 0.00 179.25 180.56 1i17 n ASN 32 N -3.02 1.54 -0.36 0.00 3.02 -0.33 -4.86 115.26 111.25 1i17 n ASN 32 Ca -0.13 -1.67 0.28 0.00 -0.03 0.00 0.00 54.58 53.03 1i17 n ASN 32 Cb 0.97 0.00 0.54 0.00 -0.61 0.00 0.00 39.78 40.68 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 0.78 -1.01 3.10 -0.00 -1.02 -1.16 116.97 117.66 1i17 h TYR 33 Ca 0.00 0.03 0.27 0.00 -0.00 0.00 0.00 58.73 59.03 1i17 h TYR 33 Cb 0.45 -0.20 -0.07 0.00 -0.00 0.00 0.00 36.73 36.91 1i17 h TYR 33 CO 0.00 -0.20 0.68 0.11 -0.00 0.00 0.00 178.16 178.75 1i17 h TRP 34 N 0.23 0.36 -0.07 0.10 5.08 -1.87 -1.62 115.95 118.16 1i17 h TRP 34 Ca 0.76 0.01 -0.12 0.00 1.08 0.00 0.00 58.89 60.62 1i17 h TRP 34 Cb 1.97 -0.10 -0.01 0.00 -3.00 0.00 0.00 29.16 28.01 1i17 h TRP 34 CO -0.01 0.05 -0.51 1.96 -1.28 0.00 0.00 178.44 178.66 1i17 h GLN 35 N 0.23 0.19 -7.07 0.12 4.20 -1.62 -3.45 115.11 107.70 1i17 h GLN 35 Ca 0.52 -0.11 -0.45 0.00 0.06 0.00 0.00 58.65 58.67 1i17 h GLN 35 Cb 1.63 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.41 1i17 h GLN 35 CO -0.15 0.65 0.36 -0.06 -0.67 0.00 0.00 178.83 178.96 1i17 s PHE 36 N -3.93 3.20 -0.77 2.96 0.40 -0.61 -5.00 117.98 114.23 1i17 s PHE 36 Ca -0.04 1.59 -0.26 0.00 -0.60 0.00 0.00 56.93 57.63 1i17 s PHE 36 Cb 0.13 -2.93 0.00 0.00 0.51 0.00 0.00 43.02 40.73 1i17 s PHE 36 CO 0.78 -0.39 1.63 -1.25 0.70 0.00 0.00 175.22 176.69 1i17 s PRO 37 N -3.26 2.94 0.49 0.24 0.04 -1.26 -4.69 135.00 129.50 1i17 s PRO 37 Ca 0.64 -0.09 0.25 0.00 0.04 0.00 0.00 61.00 61.83 1i17 s PRO 37 Cb -0.12 -4.60 1.25 0.00 0.04 0.00 0.00 34.50 31.07 1i17 s PRO 37 CO 0.17 -2.59 1.99 0.38 0.04 0.00 0.00 177.00 176.99 1i17 h ASP 38 N 11.95 0.00 -2.80 6.66 3.04 -1.69 -3.43 116.42 130.14 1i17 h ASP 38 Ca -0.13 0.00 -0.51 0.00 -3.24 0.00 0.00 57.03 53.15 1i17 h ASP 38 Cb 1.07 0.00 -0.14 0.00 -1.04 0.00 0.00 39.33 39.22 1i17 h ASP 38 CO 1.27 0.17 -0.71 -0.83 -2.04 0.00 0.00 179.24 177.10 1i17 s GLY 39 N -4.23 1.72 -0.06 7.15 0.00 -0.66 -5.03 107.32 106.22 1i17 s GLY 39 Ca -0.02 -1.82 -0.00 0.00 0.00 0.00 0.00 44.72 42.87 1i17 s GLY 39 CO 0.61 -1.85 -0.01 -0.42 0.00 0.00 0.00 173.10 171.44 1i17 s ILE 40 N -2.86 0.35 -0.17 0.90 1.01 -1.26 -0.89 121.20 118.27 1i17 s ILE 40 Ca 0.27 0.08 -0.29 0.00 0.00 0.00 0.00 60.65 60.71 1i17 s ILE 40 Cb 0.00 -0.47 -0.01 0.00 0.01 0.00 0.00 42.46 42.00 1i17 s ILE 40 CO 0.11 0.22 1.19 -0.47 0.00 0.00 0.00 174.94 176.00 1i17 s TYR 41 N 1.55 3.03 0.00 3.97 5.04 -0.21 -4.97 117.35 125.77 1i17 s TYR 41 Ca -0.02 1.17 -0.17 0.00 -2.44 0.00 0.00 57.07 55.61 1i17 s TYR 41 Cb -0.13 -3.43 0.03 0.00 0.35 0.00 0.00 41.96 38.79 1i17 s TYR 41 CO -0.03 -1.30 0.37 -0.47 -1.34 0.00 0.00 175.55 172.78 1i17 s TYR 42 N 3.23 -0.24 -0.35 4.97 5.04 -1.26 -0.32 117.35 128.41 1i17 s TYR 42 Ca 0.52 0.32 0.01 0.00 -2.44 0.00 0.00 57.07 55.47 1i17 s TYR 42 Cb -0.20 0.16 0.11 0.00 0.35 0.00 0.00 41.96 42.38 1i17 s TYR 42 CO 0.13 -0.47 0.14 -1.21 -1.34 0.00 0.00 175.55 172.81 1i17 s GLU 43 N -1.71 0.97 0.00 4.97 2.02 -1.26 -4.96 118.70 118.73 1i17 s GLU 43 Ca -0.10 -1.46 0.00 0.00 0.02 0.00 0.00 54.97 53.43 1i17 s GLU 43 Cb -0.03 -2.21 0.00 0.00 0.10 0.00 0.00 34.13 31.99 1i17 s GLU 43 CO 0.03 -1.04 0.00 0.41 0.02 0.00 0.00 175.26 174.67 1i17 n GLY 44 N 4.36 -0.06 3.74 -1.39 0.00 -1.26 -5.02 105.19 105.56 1i17 n GLY 44 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1i17 n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i17 n SER 46 N 1.50 -0.12 -4.13 0.00 3.41 -1.26 -5.15 113.62 107.87 1i17 n SER 46 Ca 0.06 0.05 -0.09 0.00 -0.26 0.00 0.00 58.87 58.64 1i17 n SER 46 Cb 0.37 0.26 -0.10 0.00 -0.26 0.00 0.00 64.21 64.48 1i17 n SER 46 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1i17 s GLU 47 N -2.00 0.76 0.58 4.33 -1.05 -1.26 -5.07 118.70 114.98 1i17 s GLU 47 Ca 0.00 -1.31 0.29 0.00 -0.15 0.00 0.00 54.97 53.80 1i17 s GLU 47 Cb 0.00 0.07 1.48 0.00 -0.44 0.00 0.00 34.13 35.24 1i17 s GLU 47 CO 0.00 -0.11 1.91 0.00 0.95 0.00 0.00 175.26 178.01 1i17 h ALA 48 N 3.02 2.26 -0.10 -0.84 0.00 -2.01 -1.04 119.26 120.56 1i17 h ALA 48 Ca -0.35 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1i17 h ALA 48 Cb 1.16 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1i17 h ALA 48 CO 0.64 -0.74 0.01 -0.91 0.00 0.00 0.00 179.25 178.25 1i17 h ASN 49 N 0.00 0.12 -2.72 0.00 2.35 -1.99 -3.40 115.58 109.94 1i17 h ASN 49 Ca 0.24 -0.01 -0.56 0.00 -0.55 0.00 0.00 56.30 55.42 1i17 h ASN 49 Cb 1.21 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 39.51 1i17 h ASN 49 CO -0.00 0.14 1.23 -0.69 -1.65 0.00 0.00 177.43 176.47 1i17 s VAL 50 N -5.04 3.57 0.77 2.81 1.01 -0.39 -5.02 120.40 118.10 1i17 s VAL 50 Ca -0.05 0.55 -0.08 0.00 0.00 0.00 0.00 61.98 62.40 1i17 s VAL 50 Cb 0.17 -3.84 0.11 0.00 0.00 0.00 0.00 36.38 32.82 1i17 s VAL 50 CO 0.69 -0.58 1.08 0.42 0.00 0.00 0.00 175.10 176.71 1i17 s THR 51 N 6.83 2.18 0.08 3.92 -4.23 -1.26 -4.92 115.64 118.23 1i17 s THR 51 Ca 0.73 -0.27 -0.22 0.00 -1.18 0.00 0.00 61.69 60.74 1i17 s THR 51 Cb -0.19 -2.91 -0.13 0.00 1.34 0.00 0.00 72.50 70.61 1i17 s THR 51 CO 0.31 0.00 1.63 0.50 -0.54 0.00 0.00 174.62 176.53 1i17 h LYS 52 N -0.82 0.12 -0.59 3.99 3.64 -1.97 -1.39 116.57 119.56 1i17 h LYS 52 Ca -0.43 -0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.05 1i17 h LYS 52 Cb 1.29 -0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.99 1i17 h LYS 52 CO 0.51 0.21 -0.01 0.93 -2.27 0.00 0.00 179.45 178.83 1i17 h GLU 53 N 0.00 0.11 0.38 1.90 3.07 -2.00 0.11 114.58 118.15 1i17 h GLU 53 Ca 0.03 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1i17 h GLU 53 Cb 0.13 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 27.99 1i17 h GLU 53 CO -0.00 0.07 -0.43 0.52 -1.40 0.00 0.00 179.01 177.77 1i17 h MET 54 N 0.11 -0.81 0.01 2.33 2.86 -1.93 -2.89 114.93 114.62 1i17 h MET 54 Ca 0.31 0.06 0.03 0.00 -2.06 0.00 0.00 59.70 58.03 1i17 h MET 54 Cb 0.49 0.18 -0.05 0.00 0.06 0.00 0.00 31.60 32.28 1i17 h MET 54 CO -0.51 -0.54 -0.29 1.25 1.06 0.00 0.00 176.91 177.88 1i17 h LEU 55 N -0.84 -0.85 -0.06 1.22 6.46 -0.39 -0.47 115.31 120.38 1i17 h LEU 55 Ca -0.03 0.11 0.01 0.00 -0.12 0.00 0.00 57.88 57.85 1i17 h LEU 55 Cb 0.76 0.34 -0.01 0.00 -0.73 0.00 0.00 40.66 41.02 1i17 h LEU 55 CO -0.09 -0.36 -0.01 0.58 -0.62 0.00 0.00 178.44 177.94 1i17 h VAL 56 N -0.44 0.95 -0.02 1.05 2.07 -1.08 0.11 116.25 118.90 1i17 h VAL 56 Ca 0.06 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 1i17 h VAL 56 Cb 0.52 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1i17 h VAL 56 CO -0.24 0.00 0.01 0.74 0.02 0.00 0.00 177.57 178.11 1i17 h THR 57 N 0.01 1.03 -0.67 2.57 2.02 -1.48 -2.63 112.91 113.76 1i17 h THR 57 Ca 0.03 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 1i17 h THR 57 Cb 0.04 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 1i17 h THR 57 CO -0.05 0.02 0.29 0.28 0.37 0.00 0.00 175.52 176.43 1i17 h SER 58 N -0.01 0.89 -0.14 4.18 0.02 -0.88 -2.13 113.55 115.48 1i17 h SER 58 Ca 0.01 -0.11 0.02 0.00 -0.84 0.00 0.00 61.79 60.86 1i17 h SER 58 Cb 0.03 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1i17 h SER 58 CO -0.00 0.78 0.03 0.00 -1.14 0.00 0.00 176.83 176.50 1i17 h VAL 60 N 0.09 0.66 -0.52 0.00 2.07 -1.27 -0.05 116.25 117.23 1i17 h VAL 60 Ca 0.06 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.62 1i17 h VAL 60 Cb 0.05 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1i17 h VAL 60 CO -0.08 0.00 0.29 0.78 0.02 0.00 0.00 177.57 178.58 1i17 h ASN 61 N -0.12 0.46 -0.23 0.57 2.35 -1.17 -1.28 115.58 116.15 1i17 h ASN 61 Ca 0.10 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1i17 h ASN 61 Cb 0.27 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1i17 h ASN 61 CO -0.24 0.32 0.12 0.00 -1.65 0.00 0.00 177.43 175.98 1i17 h ALA 62 N 1.25 0.30 -0.21 -0.83 0.00 -0.49 -2.20 119.26 117.09 1i17 h ALA 62 Ca 0.22 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1i17 h ALA 62 Cb 0.07 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1i17 h ALA 62 CO -0.12 -0.16 -0.18 1.15 0.00 0.00 0.00 179.25 179.95 1i17 h THR 63 N 0.26 0.52 -0.07 0.00 2.02 -0.78 0.06 112.91 114.91 1i17 h THR 63 Ca 0.08 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.29 1i17 h THR 63 Cb 0.09 0.52 -0.06 0.00 -1.74 0.00 0.00 68.15 66.96 1i17 h THR 63 CO -0.01 0.00 -0.51 1.56 0.37 0.00 0.00 175.52 176.92 1i17 h GLN 64 N -0.18 -0.58 -0.74 6.66 4.20 -1.17 -2.06 115.11 121.23 1i17 h GLN 64 Ca 0.12 0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.94 1i17 h GLN 64 Cb 0.37 0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.22 1i17 h GLN 64 CO -0.32 -0.39 0.42 0.00 -0.67 0.00 0.00 178.83 177.88 1i17 h ALA 65 N -0.26 1.01 -0.09 3.87 0.00 -1.13 -3.07 119.26 119.60 1i17 h ALA 65 Ca 0.03 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 1i17 h ALA 65 Cb 0.69 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1i17 h ALA 65 CO -0.40 0.10 -0.61 0.00 0.00 0.00 0.00 179.25 178.35 1i17 h ALA 66 N 1.39 0.81 -0.72 0.00 0.00 -0.82 -3.37 119.26 116.55 1i17 h ALA 66 Ca 0.34 -0.54 -0.51 0.00 0.00 0.00 0.00 54.91 54.19 1i17 h ALA 66 Cb 0.23 -0.08 -0.43 0.00 0.00 0.00 0.00 17.79 17.51 1i17 h ALA 66 CO -0.20 0.73 -0.86 0.09 0.00 0.00 0.00 179.25 179.01 1i17 n ASN 67 N -3.88 4.50 -0.22 0.00 3.02 -0.79 -4.88 115.26 113.00 1i17 n ASN 67 Ca -0.03 -3.53 0.01 0.00 -0.03 0.00 0.00 54.58 51.00 1i17 n ASN 67 Cb 0.62 -0.36 0.12 0.00 -0.61 0.00 0.00 39.78 39.56 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 2.24 0.46 -0.74 3.52 4.20 -1.70 -2.61 115.11 120.47 1i17 h GLN 68 Ca 0.30 -0.03 0.09 0.00 0.06 0.00 0.00 58.65 59.08 1i17 h GLN 68 Cb 1.50 -0.10 -0.07 0.00 0.30 0.00 0.00 27.48 29.10 1i17 h GLN 68 CO 0.69 0.30 0.39 0.00 -0.67 0.00 0.00 178.83 179.54 1i17 h ALA 69 N 1.43 1.03 0.27 3.87 0.00 -1.91 -0.31 119.26 123.63 1i17 h ALA 69 Ca 0.33 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1i17 h ALA 69 Cb 0.40 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1i17 h ALA 69 CO -0.30 -0.00 -0.13 0.93 0.00 0.00 0.00 179.25 179.75 1i17 h GLU 70 N 0.66 -0.35 -0.14 0.00 4.39 -1.89 -3.07 114.58 114.19 1i17 h GLU 70 Ca 0.36 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.07 1i17 h GLU 70 Cb 0.35 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1i17 h GLU 70 CO -0.26 -0.06 0.02 0.74 -1.16 0.00 0.00 179.01 178.30 1i17 h PHE 71 N -0.63 0.18 0.50 4.33 0.04 -1.32 -1.87 116.94 118.17 1i17 h PHE 71 Ca -0.04 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 1i17 h PHE 71 Cb 0.45 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.55 1i17 h PHE 71 CO 0.01 0.18 -0.24 0.77 -0.60 0.00 0.00 178.31 178.43 1i17 h SER 72 N 0.19 -0.57 0.03 2.17 0.02 -1.07 -3.33 113.55 110.98 1i17 h SER 72 Ca 0.05 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1i17 h SER 72 Cb 0.09 0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1i17 h SER 72 CO -0.00 -0.33 -0.02 0.08 -1.14 0.00 0.00 176.83 175.42 1i17 h ARG 73 N -0.78 -0.05 -2.22 3.45 0.11 -1.43 -3.34 114.38 110.12 1i17 h ARG 73 Ca -0.07 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 59.68 1i17 h ARG 73 Cb 0.56 0.01 -0.06 0.00 1.11 0.00 0.00 29.97 31.59 1i17 h ARG 73 CO 0.11 0.45 0.64 0.39 0.10 0.00 0.00 179.97 181.66 1i17 n GLU 74 N -4.87 2.47 0.06 0.08 -0.58 -0.71 -3.83 120.64 113.26 1i17 n GLU 74 Ca -0.09 -1.45 0.00 0.00 -0.42 0.00 0.00 57.16 55.21 1i17 n GLU 74 Cb 0.26 -2.20 0.00 0.00 -0.57 0.00 0.00 31.44 28.93 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 2.54 0.00 -0.30 3.49 4.81 -1.25 -4.41 118.16 123.04 1i17 n LYS 75 Ca 0.52 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 58.08 1i17 n LYS 75 Cb 0.72 0.00 0.28 0.00 0.02 0.00 0.00 35.03 36.05 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 0.12 -1.12 1.64 1.08 -1.74 -1.69 115.11 113.41 1i17 h GLN 76 Ca 0.00 -0.01 -0.41 0.00 -1.45 0.00 0.00 58.65 56.78 1i17 h GLN 76 Cb 0.00 -0.03 -0.40 0.00 -0.05 0.00 0.00 27.48 27.00 1i17 h GLN 76 CO 0.00 0.08 -1.10 -3.47 -0.95 0.00 0.00 178.83 173.39 1i17 n ASP 77 N -5.33 2.13 -2.41 1.46 2.03 -1.26 -4.92 116.55 108.25 1i17 n ASP 77 Ca 0.21 -2.93 0.00 0.00 0.52 0.00 0.00 54.79 52.60 1i17 n ASP 77 Cb 0.69 -0.52 0.05 0.00 -0.72 0.00 0.00 41.12 40.62 1i17 n ASP 77 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1i17 n SER 78 N -0.15 0.88 -0.16 1.67 7.64 -0.63 -4.97 113.62 117.89 1i17 n SER 78 Ca 0.15 -2.04 -0.06 0.00 1.01 0.00 0.00 58.87 57.93 1i17 n SER 78 Cb 0.78 -0.24 0.03 0.00 -1.01 0.00 0.00 64.21 63.78 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 1.88 0.58 -0.46 1.43 1.79 -1.90 -0.81 116.57 119.08 1i17 h LYS 79 Ca -0.23 -0.04 0.06 0.00 -2.18 0.00 0.00 60.65 58.27 1i17 h LYS 79 Cb 1.43 -0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 31.89 1i17 h LYS 79 CO 0.09 0.39 0.16 1.25 -1.08 0.00 0.00 179.45 180.25 1i17 h LEU 80 N 0.60 0.17 0.24 2.94 5.85 -1.95 -1.21 115.31 121.95 1i17 h LEU 80 Ca 0.20 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1i17 h LEU 80 Cb 0.00 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1i17 h LEU 80 CO -0.08 0.13 -0.27 -0.74 -0.34 0.00 0.00 178.44 177.14 1i17 h HIS 81 N 0.34 -0.71 -0.33 1.25 2.76 -1.71 -2.58 115.15 114.16 1i17 h HIS 81 Ca 0.22 0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.46 1i17 h HIS 81 Cb 0.22 0.28 -0.08 0.00 1.55 0.00 0.00 27.41 29.38 1i17 h HIS 81 CO -0.16 -0.38 -0.37 1.96 -1.30 0.00 0.00 177.93 177.68 1i17 h GLN 82 N -0.55 -0.32 -0.29 5.26 1.08 -0.95 0.11 115.11 119.45 1i17 h GLN 82 Ca -0.00 0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.27 1i17 h GLN 82 Cb 0.52 0.07 -0.08 0.00 -0.05 0.00 0.00 27.48 27.94 1i17 h GLN 82 CO -0.07 -0.21 -0.47 0.00 -0.95 0.00 0.00 178.83 177.12 1i17 h ARG 83 N -0.33 -0.41 0.01 1.46 3.08 -1.14 0.02 114.38 117.06 1i17 h ARG 83 Ca 0.14 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 1i17 h ARG 83 Cb 0.57 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1i17 h ARG 83 CO -0.51 -0.27 -0.00 0.28 -1.07 0.00 0.00 179.97 178.39 1i17 h VAL 84 N -0.43 1.10 -0.47 2.04 2.07 -1.28 -2.84 116.25 116.44 1i17 h VAL 84 Ca 0.09 -0.33 0.07 0.00 0.82 0.00 0.00 66.70 67.35 1i17 h VAL 84 Cb 0.62 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.66 1i17 h VAL 84 CO -0.51 0.09 0.15 0.25 0.02 0.00 0.00 177.57 177.56 1i17 h LEU 85 N -0.16 0.12 -0.35 2.57 5.85 -0.54 -0.44 115.31 122.36 1i17 h LEU 85 Ca -0.00 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1i17 h LEU 85 Cb 0.15 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1i17 h LEU 85 CO 0.00 0.10 0.17 -0.50 -0.34 0.00 0.00 178.44 177.87 1i17 h TRP 86 N 0.31 0.51 -0.14 1.25 4.06 -1.02 0.04 115.95 120.96 1i17 h TRP 86 Ca 0.23 -0.03 0.04 0.00 2.06 0.00 0.00 58.89 61.19 1i17 h TRP 86 Cb 0.25 -0.16 -0.04 0.00 -1.00 0.00 0.00 29.16 28.22 1i17 h TRP 86 CO -0.18 0.44 -0.09 -0.09 -3.56 0.00 0.00 178.44 174.96 1i17 h ARG 87 N 0.43 -0.09 -0.16 0.49 9.65 -1.23 -0.46 114.38 123.01 1i17 h ARG 87 Ca 0.12 0.01 0.05 0.00 -1.10 0.00 0.00 59.98 59.06 1i17 h ARG 87 Cb 0.12 0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 28.66 1i17 h ARG 87 CO -0.01 -0.06 -0.24 1.25 2.80 0.00 0.00 179.97 183.71 1i17 h LEU 88 N -0.10 -0.74 0.04 3.80 7.12 -0.92 0.16 115.31 124.68 1i17 h LEU 88 Ca 0.09 0.12 0.03 0.00 0.13 0.00 0.00 57.88 58.24 1i17 h LEU 88 Cb 0.22 0.34 -0.04 0.00 -0.53 0.00 0.00 40.66 40.65 1i17 h LEU 88 CO -0.20 -0.28 -0.24 0.40 -0.13 0.00 0.00 178.44 177.99 1i17 h ILE 89 N -0.28 0.45 -0.69 4.05 2.04 -0.86 -1.80 117.51 120.42 1i17 h ILE 89 Ca 0.11 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.01 1i17 h ILE 89 Cb 0.45 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 1i17 h ILE 89 CO -0.33 0.00 0.42 0.11 0.00 0.00 0.00 178.15 178.35 1i17 h LYS 90 N -0.40 0.78 -0.16 2.37 1.57 -0.84 -0.18 116.57 119.71 1i17 h LYS 90 Ca 0.05 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1i17 h LYS 90 Cb 0.46 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.55 1i17 h LYS 90 CO -0.18 0.51 -0.13 1.49 -0.57 0.00 0.00 179.45 180.57 1i17 h GLU 91 N 0.80 -0.14 0.11 3.15 4.57 -0.50 0.11 114.58 122.68 1i17 h GLU 91 Ca 0.29 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.49 1i17 h GLU 91 Cb 0.08 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 1i17 h GLU 91 CO -0.14 -0.09 -0.15 0.82 -1.18 0.00 0.00 179.01 178.27 1i17 h ILE 92 N -0.15 0.65 -0.74 2.32 2.04 -0.97 -0.68 117.51 120.00 1i17 h ILE 92 Ca 0.10 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.03 1i17 h ILE 92 Cb 0.29 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 36.97 1i17 h ILE 92 CO -0.25 0.00 0.41 0.00 0.00 0.00 0.00 178.15 178.31 1i17 h SER 94 N 0.73 1.03 0.31 0.00 0.02 -0.63 -3.35 113.55 111.66 1i17 h SER 94 Ca 0.34 -0.29 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1i17 h SER 94 Cb 0.26 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1i17 h SER 94 CO -0.21 1.07 -0.15 0.00 -1.14 0.00 0.00 176.83 176.40 1i17 h ALA 95 N 1.00 -0.41 -2.73 3.77 0.00 -0.84 -3.44 119.26 116.60 1i17 h ALA 95 Ca 0.18 -0.12 -0.53 0.00 0.00 0.00 0.00 54.91 54.44 1i17 h ALA 95 Cb 0.52 0.16 0.07 0.00 0.00 0.00 0.00 17.79 18.54 1i17 h ALA 95 CO 0.02 -0.68 0.91 -1.59 0.00 0.00 0.00 179.25 177.92 1i17 s LYS 96 N -5.71 4.15 0.08 0.00 -2.85 -1.15 -5.03 119.74 109.23 1i17 s LYS 96 Ca -0.15 2.54 0.04 0.00 -1.00 0.00 0.00 55.97 57.39 1i17 s LYS 96 Cb 0.04 -3.06 -0.03 0.00 -2.06 0.00 0.00 37.83 32.72 1i17 s LYS 96 CO 0.62 -0.65 -0.10 -3.38 0.10 0.00 0.00 175.35 171.94 1i17 s HIS 97 N 0.48 1.02 -0.15 1.78 -3.43 -1.26 -5.01 115.29 108.73 1i17 s HIS 97 Ca 0.67 -0.60 -0.02 0.00 -0.80 0.00 0.00 55.06 54.31 1i17 s HIS 97 Cb -0.47 -0.57 -0.02 0.00 -1.43 0.00 0.00 32.58 30.08 1i17 s HIS 97 CO 0.41 -0.01 -0.07 0.00 -2.00 0.00 0.00 174.74 173.07 1i17 h ASP 99 N 6.72 0.16 1.01 0.00 2.03 -2.03 -2.68 116.42 121.62 1i17 h ASP 99 Ca -0.29 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.00 1i17 h ASP 99 Cb 1.20 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.66 1i17 h ASP 99 CO 0.60 0.17 0.00 2.22 -1.03 0.00 0.00 179.24 181.20 1i17 n PHE 100 N -4.46 0.89 -1.76 4.15 1.16 -1.26 -4.89 117.46 111.29 1i17 n PHE 100 Ca -0.01 0.31 -0.41 0.00 -1.87 0.00 0.00 57.45 55.47 1i17 n PHE 100 Cb 0.12 -1.01 -0.00 0.00 -1.61 0.00 0.00 39.48 36.98 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 -2.28 2.84 -4.09 2.97 8.01 -1.01 -4.91 117.44 118.98 1i17 n TRP 101 Ca 0.03 0.46 -0.10 0.00 -1.31 0.00 0.00 57.50 56.58 1i17 n TRP 101 Cb 0.31 -2.51 -0.08 0.00 -2.01 0.00 0.00 31.31 27.01 1i17 n TRP 101 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.69 176.20 1i17 s LEU 102 N -1.78 0.88 0.04 -0.99 2.34 -1.26 -5.10 118.68 112.81 1i17 s LEU 102 Ca 0.54 -1.13 -0.07 0.00 0.06 0.00 0.00 54.13 53.53 1i17 s LEU 102 Cb -0.50 0.98 -0.01 0.00 -0.56 0.00 0.00 46.19 46.11 1i17 s LEU 102 CO 0.63 -0.94 0.14 -0.70 -1.06 0.00 0.00 176.35 174.41 1i17 s GLU 103 N -4.07 0.65 0.32 1.48 2.56 -1.26 -5.07 118.70 113.31 1i17 s GLU 103 Ca 0.29 -0.74 0.05 0.00 0.00 0.00 0.00 54.97 54.57 1i17 s GLU 103 Cb 0.04 0.26 0.70 0.00 2.00 0.00 0.00 34.13 37.13 1i17 s GLU 103 CO 0.08 -0.18 1.85 0.00 -0.56 0.00 0.00 175.26 176.46 1i17 h ARG 104 N 3.48 0.81 0.00 4.30 3.08 -2.07 -3.46 114.38 120.52 1i17 h ARG 104 Ca -0.33 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.68 1i17 h ARG 104 Cb 1.19 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.06 1i17 h ARG 104 CO 0.51 0.53 0.00 0.41 -1.07 0.00 0.00 179.97 180.35 1i17 n GLY 105 N -1.39 3.58 3.15 0.04 0.00 -1.26 -5.20 105.19 104.10 1i17 n GLY 105 Ca 0.18 -0.70 -0.08 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.17 0.30 0.00 4.61 0.00 -1.26 -5.19 121.76 119.05 1i17 s ALA 106 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1i17 s ALA 106 Cb 0.00 0.44 0.00 0.00 0.00 0.00 0.00 23.12 23.56 1i17 s ALA 106 CO 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 175.76 175.32