#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i17 h VAL 2 N 0.00 0.67 -0.95 1.55 2.07 -2.05 -2.74 116.25 114.80 1i17 h VAL 2 Ca 0.00 -0.04 0.20 0.00 0.82 0.00 0.00 66.70 67.68 1i17 h VAL 2 Cb 0.00 0.54 -0.08 0.00 -1.52 0.00 0.00 31.29 30.23 1i17 h VAL 2 CO 0.00 0.02 0.61 0.00 0.02 0.00 0.00 177.57 178.22 1i17 h ALA 3 N 1.39 1.99 0.00 1.67 0.00 -2.05 -1.87 119.26 120.38 1i17 h ALA 3 Ca 0.22 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1i17 h ALA 3 Cb 0.32 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1i17 h ALA 3 CO -0.36 -0.30 -0.06 0.93 0.00 0.00 0.00 179.25 179.45 1i17 h GLU 4 N 0.56 0.00 -2.01 0.00 5.08 -1.98 -3.17 114.58 113.08 1i17 h GLU 4 Ca 0.51 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 58.38 1i17 h GLU 4 Cb 1.05 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.90 1i17 h GLU 4 CO -0.25 0.06 -1.12 -1.71 -1.00 0.00 0.00 179.01 174.98 1i17 n ASN 5 N -4.24 1.37 -4.78 1.42 4.05 -0.75 -5.07 115.26 107.27 1i17 n ASN 5 Ca -0.03 -3.10 -0.36 0.00 0.45 0.00 0.00 54.58 51.55 1i17 n ASN 5 Cb 0.14 -0.61 -0.02 0.00 1.23 0.00 0.00 39.78 40.52 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 -2.60 3.77 -0.23 1.20 1.70 -0.95 -4.93 118.95 116.91 1i17 s ARG 6 Ca 0.41 1.55 -0.37 0.00 -0.47 0.00 0.00 55.73 56.85 1i17 s ARG 6 Cb 0.34 -2.25 -0.13 0.00 -0.57 0.00 0.00 34.95 32.35 1i17 s ARG 6 CO -0.09 -0.49 1.91 -2.30 -1.08 0.00 0.00 175.30 173.25 1i17 n PRO 7 N -0.73 1.52 0.00 3.89 -0.02 -1.26 -1.10 135.00 137.31 1i17 n PRO 7 Ca 0.08 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1i17 n PRO 7 Cb 0.50 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 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 4.86 1.55 3.73 -1.23 0.00 0.35 -4.54 105.19 109.92 1i17 n GLY 8 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.20 3.87 0.60 4.61 0.00 -0.25 -4.26 121.76 124.14 1i17 s ALA 9 Ca 0.00 1.59 -0.19 0.00 0.00 0.00 0.00 51.96 53.36 1i17 s ALA 9 Cb 0.00 -3.68 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 1i17 s ALA 9 CO 0.00 -0.96 1.30 -0.06 0.00 0.00 0.00 175.76 176.04 1i17 s PHE 10 N 0.71 2.20 -0.41 0.00 0.08 -1.26 -1.02 117.98 118.29 1i17 s PHE 10 Ca 0.70 1.45 0.04 0.00 0.12 0.00 0.00 56.93 59.24 1i17 s PHE 10 Cb -0.49 -3.69 0.11 0.00 -0.57 0.00 0.00 43.02 38.38 1i17 s PHE 10 CO 0.38 -2.79 0.13 0.42 -0.10 0.00 0.00 175.22 173.26 1i17 s ILE 11 N -1.39 2.42 -0.90 0.64 1.01 0.14 -4.80 121.20 118.31 1i17 s ILE 11 Ca 0.78 -2.68 -0.18 0.00 0.00 0.00 0.00 60.65 58.57 1i17 s ILE 11 Cb -0.37 -2.75 0.14 0.00 0.01 0.00 0.00 42.46 39.49 1i17 s ILE 11 CO 0.41 -0.67 1.06 -0.54 0.00 0.00 0.00 174.94 175.20 1i17 s LYS 12 N 0.49 3.58 0.33 2.79 1.02 -1.26 -1.01 119.74 125.68 1i17 s LYS 12 Ca 0.13 -1.85 0.18 0.00 0.02 0.00 0.00 55.97 54.44 1i17 s LYS 12 Cb -0.21 -4.82 0.15 0.00 -0.52 0.00 0.00 37.83 32.43 1i17 s LYS 12 CO -0.05 -1.69 1.48 1.96 -0.92 0.00 0.00 175.35 176.13 1i17 h GLN 13 N 8.68 0.00 -3.44 1.68 4.20 -1.92 -3.48 115.11 120.83 1i17 h GLN 13 Ca 0.13 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 1i17 h GLN 13 Cb 1.03 0.00 0.04 0.00 0.30 0.00 0.00 27.48 28.85 1i17 h GLN 13 CO 1.05 0.32 -0.19 0.41 -0.67 0.00 0.00 178.83 179.75 1i17 n GLY 14 N 1.19 0.42 2.96 3.46 0.00 -1.26 -5.08 105.19 106.87 1i17 n GLY 14 Ca 0.02 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.46 1.07 -0.67 1.61 3.52 -1.26 -4.91 118.95 114.85 1i17 s ARG 15 Ca 0.09 -0.24 -0.27 0.00 -0.13 0.00 0.00 55.73 55.18 1i17 s ARG 15 Cb -0.01 -0.98 0.02 0.00 -1.56 0.00 0.00 34.95 32.41 1i17 s ARG 15 CO 0.17 0.01 1.40 0.21 -0.81 0.00 0.00 175.30 176.27 1i17 s LYS 16 N 0.62 3.14 1.13 5.12 2.20 -1.26 -4.92 119.74 125.78 1i17 s LYS 16 Ca -0.10 0.09 -0.18 0.00 -0.36 0.00 0.00 55.97 55.42 1i17 s LYS 16 Cb -0.13 -4.19 0.26 0.00 -1.51 0.00 0.00 37.83 32.26 1i17 s LYS 16 CO 0.01 -2.17 1.16 -0.51 -0.36 0.00 0.00 175.35 173.49 1i17 s LEU 17 N 6.31 1.22 -0.43 5.43 1.43 -1.26 -5.07 118.68 126.31 1i17 s LEU 17 Ca 0.45 0.57 0.03 0.00 -1.03 0.00 0.00 54.13 54.15 1i17 s LEU 17 Cb -0.09 -2.40 0.12 0.00 0.03 0.00 0.00 46.19 43.85 1i17 s LEU 17 CO 0.19 -3.74 0.18 -0.62 0.23 0.00 0.00 176.35 172.59 1i17 s ASP 18 N -4.12 4.24 -0.02 2.29 2.15 -1.26 -5.03 116.67 114.92 1i17 s ASP 18 Ca 0.71 -2.54 0.01 0.00 0.43 0.00 0.00 52.55 51.16 1i17 s ASP 18 Cb -0.09 -1.40 0.01 0.00 -0.30 0.00 0.00 42.92 41.14 1i17 s ASP 18 CO 0.55 -0.30 -0.04 -0.63 -0.17 0.00 0.00 175.17 174.59 1i17 s ILE 19 N 0.39 0.37 -0.59 4.11 1.01 -1.26 -5.12 121.20 120.12 1i17 s ILE 19 Ca 0.15 -0.12 -0.23 0.00 0.00 0.00 0.00 60.65 60.44 1i17 s ILE 19 Cb -0.23 -0.37 0.05 0.00 0.01 0.00 0.00 42.46 41.92 1i17 s ILE 19 CO -0.05 0.14 0.94 -0.62 0.00 0.00 0.00 174.94 175.35 1i17 s ASP 20 N 0.37 6.28 -0.00 3.58 2.15 -1.26 -4.86 116.67 122.93 1i17 s ASP 20 Ca -0.04 -0.58 -0.06 0.00 0.43 0.00 0.00 52.55 52.30 1i17 s ASP 20 Cb -0.07 -2.43 -0.29 0.00 -0.30 0.00 0.00 42.92 39.83 1i17 s ASP 20 CO -0.00 -1.29 0.85 -0.26 -0.17 0.00 0.00 175.17 174.30 1i17 h PHE 21 N 9.39 0.58 0.00 -5.34 0.04 -1.97 -3.51 116.94 116.13 1i17 h PHE 21 Ca -0.27 -0.42 0.00 0.00 2.80 0.00 0.00 57.97 60.08 1i17 h PHE 21 Cb 1.07 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.20 1i17 h PHE 21 CO 0.92 1.46 0.00 0.41 -0.60 0.00 0.00 178.31 180.51 1i17 n GLY 22 N 1.71 3.73 0.40 -1.45 0.00 -1.26 -4.85 105.19 103.46 1i17 n GLY 22 Ca -0.18 -1.75 -0.07 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.24 -0.14 4.61 0.00 -1.99 0.21 119.26 121.71 1i17 h ALA 23 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1i17 h ALA 23 Cb 0.00 1.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1i17 h ALA 23 CO 0.00 -0.80 0.06 0.93 0.00 0.00 0.00 179.25 179.43 1i17 h GLU 24 N -0.10 0.21 -0.74 0.00 4.39 -2.00 -2.86 114.58 113.48 1i17 h GLU 24 Ca 0.23 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.84 1i17 h GLU 24 Cb 0.54 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 1i17 h GLU 24 CO -0.84 0.30 0.26 0.78 -1.16 0.00 0.00 179.01 178.35 1i17 h GLY 25 N 0.07 1.21 0.77 -3.84 0.00 -1.60 -0.90 103.07 98.78 1i17 h GLY 25 Ca 0.05 -0.68 0.01 0.00 0.00 0.00 0.00 47.33 46.71 1i17 h GLY 25 CO -0.00 0.64 -0.12 3.43 0.00 0.00 0.00 176.54 180.48 1i17 h ASN 26 N 1.09 -0.34 -0.40 0.19 2.35 -0.65 0.10 115.58 117.91 1i17 h ASN 26 Ca 0.24 0.04 0.02 0.00 -0.55 0.00 0.00 56.30 56.05 1i17 h ASN 26 Cb 0.25 0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 1i17 h ASN 26 CO -0.01 -0.18 0.24 0.03 -1.65 0.00 0.00 177.43 175.85 1i17 h ARG 27 N -0.24 0.47 0.32 0.81 3.08 -1.38 -1.44 114.38 116.00 1i17 h ARG 27 Ca 0.02 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1i17 h ARG 27 Cb 0.26 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 1i17 h ARG 27 CO -0.08 0.31 -0.17 -0.92 -1.07 0.00 0.00 179.97 178.04 1i17 h TYR 28 N 0.49 -0.45 0.04 3.04 3.20 -0.96 -2.66 116.97 119.67 1i17 h TYR 28 Ca 0.16 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.04 1i17 h TYR 28 Cb -0.00 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 1i17 h TYR 28 CO -0.07 -0.27 -0.15 -0.92 -1.64 0.00 0.00 178.16 175.11 1i17 h TYR 29 N -0.46 -0.40 -0.96 -3.82 3.20 -0.96 -0.85 116.97 112.73 1i17 h TYR 29 Ca -0.04 0.01 0.22 0.00 3.14 0.00 0.00 58.73 62.06 1i17 h TYR 29 Cb 0.36 0.17 -0.08 0.00 1.54 0.00 0.00 36.73 38.73 1i17 h TYR 29 CO -0.07 -0.23 0.63 0.00 -1.64 0.00 0.00 178.16 176.85 1i17 h ALA 30 N 0.64 2.16 0.00 1.82 0.00 -1.22 0.66 119.26 123.32 1i17 h ALA 30 Ca 0.04 0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.77 1i17 h ALA 30 Cb 0.32 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1i17 h ALA 30 CO -0.12 -0.49 -1.27 0.00 0.00 0.00 0.00 179.25 177.37 1i17 h ALA 31 N 1.61 0.61 0.00 0.00 0.00 -1.25 -3.42 119.26 116.81 1i17 h ALA 31 Ca 0.52 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1i17 h ALA 31 Cb 1.24 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1i17 h ALA 31 CO -0.23 1.21 -0.02 0.09 0.00 0.00 0.00 179.25 180.31 1i17 n ASN 32 N -3.13 1.62 -0.11 0.00 3.02 -0.34 -4.85 115.26 111.47 1i17 n ASN 32 Ca -0.08 -1.98 0.27 0.00 -0.03 0.00 0.00 54.58 52.77 1i17 n ASN 32 Cb 0.93 -0.07 0.71 0.00 -0.61 0.00 0.00 39.78 40.74 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 -0.93 3.10 -0.00 -1.14 -1.77 116.97 116.23 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 0.69 0.00 -0.07 0.00 0.00 0.00 0.00 36.73 37.35 1i17 h TYR 33 CO 0.00 0.00 0.62 0.11 -0.00 0.00 0.00 178.16 178.89 1i17 h TRP 34 N 0.00 0.50 -0.45 0.10 5.08 -1.89 -2.26 115.95 117.04 1i17 h TRP 34 Ca 0.38 0.02 -0.10 0.00 1.08 0.00 0.00 58.89 60.26 1i17 h TRP 34 Cb 1.70 -0.15 -0.01 0.00 -3.00 0.00 0.00 29.16 27.70 1i17 h TRP 34 CO 0.00 0.11 -0.11 1.96 -1.28 0.00 0.00 178.44 179.13 1i17 h GLN 35 N 0.36 0.86 -7.31 0.12 4.20 -1.74 -3.46 115.11 108.15 1i17 h GLN 35 Ca 0.49 -0.33 -0.51 0.00 0.06 0.00 0.00 58.65 58.36 1i17 h GLN 35 Cb 1.30 -0.05 0.09 0.00 0.30 0.00 0.00 27.48 29.12 1i17 h GLN 35 CO -0.18 0.97 0.37 -0.06 -0.67 0.00 0.00 178.83 179.25 1i17 s PHE 36 N -4.80 3.03 0.83 2.96 0.40 -0.85 -5.08 117.98 114.47 1i17 s PHE 36 Ca -0.12 1.45 -0.11 0.00 -0.60 0.00 0.00 56.93 57.55 1i17 s PHE 36 Cb 0.11 -2.92 0.09 0.00 0.51 0.00 0.00 43.02 40.81 1i17 s PHE 36 CO 0.83 -1.28 1.09 -1.25 0.70 0.00 0.00 175.22 175.32 1i17 s PRO 37 N -4.86 1.79 -0.08 0.24 0.04 -1.26 -4.72 135.00 126.15 1i17 s PRO 37 Ca 0.59 0.82 0.02 0.00 0.04 0.00 0.00 61.00 62.47 1i17 s PRO 37 Cb -0.15 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 1i17 s PRO 37 CO 0.52 -1.87 -0.05 -3.47 0.04 0.00 0.00 177.00 172.17 1i17 n ASP 38 N -3.63 3.35 -4.33 6.66 -0.08 -0.18 -4.93 116.55 113.41 1i17 n ASP 38 Ca 0.07 -0.04 -0.23 0.00 -1.51 0.00 0.00 54.79 53.09 1i17 n ASP 38 Cb 0.55 0.05 -0.10 0.00 2.34 0.00 0.00 41.12 43.97 1i17 n ASP 38 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1i17 s GLY 39 N -4.59 2.26 -0.05 0.27 0.00 -0.72 -5.00 107.32 99.50 1i17 s GLY 39 Ca -0.10 -1.70 -0.00 0.00 0.00 0.00 0.00 44.72 42.92 1i17 s GLY 39 CO 0.21 -1.81 -0.00 -0.42 0.00 0.00 0.00 173.10 171.08 1i17 s ILE 40 N -3.30 0.29 -0.22 0.90 1.01 -1.26 -0.69 121.20 117.93 1i17 s ILE 40 Ca 0.31 0.09 -0.29 0.00 0.00 0.00 0.00 60.65 60.76 1i17 s ILE 40 Cb 0.06 -0.40 -0.01 0.00 0.01 0.00 0.00 42.46 42.11 1i17 s ILE 40 CO 0.15 0.20 1.39 -0.47 0.00 0.00 0.00 174.94 176.21 1i17 s TYR 41 N 1.42 2.54 -0.27 3.97 5.04 -0.19 -4.95 117.35 124.91 1i17 s TYR 41 Ca -0.04 0.78 -0.02 0.00 -2.44 0.00 0.00 57.07 55.35 1i17 s TYR 41 Cb -0.13 -3.80 0.16 0.00 0.35 0.00 0.00 41.96 38.53 1i17 s TYR 41 CO -0.03 -2.17 0.46 -0.47 -1.34 0.00 0.00 175.55 172.01 1i17 s TYR 42 N 4.27 -1.13 -1.59 4.97 5.04 -1.26 -0.50 117.35 127.15 1i17 s TYR 42 Ca 0.61 1.12 -0.09 0.00 -2.44 0.00 0.00 57.07 56.26 1i17 s TYR 42 Cb -0.21 0.21 -0.07 0.00 0.35 0.00 0.00 41.96 42.24 1i17 s TYR 42 CO 0.22 -0.80 2.91 -0.85 -1.34 0.00 0.00 175.55 175.69 1i17 n GLU 43 N 5.39 3.80 -0.06 4.97 0.28 -1.26 -4.69 120.64 129.07 1i17 n GLU 43 Ca -0.02 -2.34 -0.14 0.00 -0.16 0.00 0.00 57.16 54.50 1i17 n GLU 43 Cb 0.50 -2.78 -0.06 0.00 1.43 0.00 0.00 31.44 30.53 1i17 n GLU 43 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1i17 h GLY 44 N 6.84 0.68 -4.75 -1.84 0.00 -1.97 -3.45 103.07 98.58 1i17 h GLY 44 Ca 0.86 -0.80 -0.52 0.00 0.00 0.00 0.00 47.33 46.86 1i17 h GLY 44 CO 1.75 0.72 0.98 0.00 0.00 0.00 0.00 176.54 180.00 1i17 n SER 46 N 4.59 -0.12 -3.89 0.00 3.41 -1.26 -5.15 113.62 111.21 1i17 n SER 46 Ca 0.16 0.42 -0.09 0.00 -0.26 0.00 0.00 58.87 59.10 1i17 n SER 46 Cb 0.38 0.34 -0.07 0.00 -0.26 0.00 0.00 64.21 64.59 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 0.87 0.62 4.33 -1.05 -1.26 -5.07 118.70 115.14 1i17 s GLU 47 Ca 0.00 -1.01 0.30 0.00 -0.15 0.00 0.00 54.97 54.12 1i17 s GLU 47 Cb 0.00 0.34 1.65 0.00 -0.44 0.00 0.00 34.13 35.68 1i17 s GLU 47 CO 0.00 -0.28 2.00 0.00 0.95 0.00 0.00 175.26 177.93 1i17 h ALA 48 N 2.75 1.71 0.00 -0.84 0.00 -2.02 -0.74 119.26 120.12 1i17 h ALA 48 Ca -0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1i17 h ALA 48 Cb 1.20 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1i17 h ALA 48 CO 0.56 -0.41 -0.06 -0.91 0.00 0.00 0.00 179.25 178.42 1i17 h ASN 49 N 0.00 0.00 -2.60 0.00 2.35 -1.99 -3.40 115.58 109.94 1i17 h ASN 49 Ca 0.09 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.27 1i17 h ASN 49 Cb 0.71 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.06 1i17 h ASN 49 CO -0.00 0.06 1.23 -0.69 -1.65 0.00 0.00 177.43 176.39 1i17 s VAL 50 N -4.82 3.47 0.71 2.81 1.01 -0.29 -5.02 120.40 118.27 1i17 s VAL 50 Ca -0.05 0.52 -0.07 0.00 0.00 0.00 0.00 61.98 62.38 1i17 s VAL 50 Cb 0.16 -3.53 0.06 0.00 0.00 0.00 0.00 36.38 33.07 1i17 s VAL 50 CO 0.66 -0.27 1.02 0.42 0.00 0.00 0.00 175.10 176.93 1i17 s THR 51 N 6.09 2.34 0.17 3.92 -4.23 -1.26 -4.93 115.64 117.73 1i17 s THR 51 Ca 0.80 -0.22 -0.13 0.00 -1.18 0.00 0.00 61.69 60.95 1i17 s THR 51 Cb -0.27 -3.03 0.07 0.00 1.34 0.00 0.00 72.50 70.61 1i17 s THR 51 CO 0.33 -0.03 1.77 0.50 -0.54 0.00 0.00 174.62 176.64 1i17 h LYS 52 N -0.62 0.81 -0.40 3.99 3.64 -1.96 -1.26 116.57 120.77 1i17 h LYS 52 Ca -0.45 -0.11 0.07 0.00 -1.27 0.00 0.00 60.65 58.89 1i17 h LYS 52 Cb 1.31 -0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.92 1i17 h LYS 52 CO 0.61 0.64 0.04 0.93 -2.27 0.00 0.00 179.45 179.40 1i17 h GLU 53 N 0.77 0.15 0.27 1.90 4.39 -1.99 0.05 114.58 120.12 1i17 h GLU 53 Ca 0.20 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.90 1i17 h GLU 53 Cb 0.09 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 1i17 h GLU 53 CO -0.03 0.10 -0.39 0.52 -1.16 0.00 0.00 179.01 178.05 1i17 h MET 54 N 0.15 -0.69 0.57 2.33 2.86 -1.92 -2.66 114.93 115.58 1i17 h MET 54 Ca 0.20 0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.86 1i17 h MET 54 Cb 0.26 0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 1i17 h MET 54 CO -0.29 -0.46 -0.50 1.25 1.06 0.00 0.00 176.91 177.96 1i17 h LEU 55 N -0.72 -1.35 -0.44 1.22 6.46 -0.81 -0.79 115.31 118.88 1i17 h LEU 55 Ca -0.01 0.10 0.04 0.00 -0.12 0.00 0.00 57.88 57.89 1i17 h LEU 55 Cb 0.68 0.44 -0.04 0.00 -0.73 0.00 0.00 40.66 41.01 1i17 h LEU 55 CO -0.14 -0.69 0.21 0.58 -0.62 0.00 0.00 178.44 177.78 1i17 h VAL 56 N -1.06 0.95 0.13 1.05 2.07 -1.08 0.92 116.25 119.23 1i17 h VAL 56 Ca -0.07 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1i17 h VAL 56 Cb 0.90 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1i17 h VAL 56 CO -0.02 0.08 -0.06 0.74 0.02 0.00 0.00 177.57 178.32 1i17 h THR 57 N 0.42 0.96 -0.29 2.57 2.02 -1.47 -2.46 112.91 114.67 1i17 h THR 57 Ca 0.19 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 1i17 h THR 57 Cb 0.11 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1i17 h THR 57 CO -0.15 0.09 0.08 0.77 0.37 0.00 0.00 175.52 176.68 1i17 h SER 58 N -0.35 0.37 0.01 4.18 4.64 -0.93 -2.08 113.55 119.38 1i17 h SER 58 Ca -0.02 -0.04 0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1i17 h SER 58 Cb 0.28 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 1i17 h SER 58 CO 0.03 0.37 -0.07 0.00 -0.87 0.00 0.00 176.83 176.29 1i17 h VAL 60 N -0.13 0.95 -0.35 0.00 2.07 -1.10 0.27 116.25 117.96 1i17 h VAL 60 Ca 0.03 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 1i17 h VAL 60 Cb 0.16 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1i17 h VAL 60 CO -0.07 0.13 0.10 0.78 0.02 0.00 0.00 177.57 178.53 1i17 h ASN 61 N 0.70 0.52 -0.39 0.57 2.35 -1.19 -2.53 115.58 115.61 1i17 h ASN 61 Ca 0.32 -0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1i17 h ASN 61 Cb 0.23 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1i17 h ASN 61 CO -0.20 0.60 0.24 0.00 -1.65 0.00 0.00 177.43 176.42 1i17 h ALA 62 N 0.94 0.50 -0.33 -0.83 0.00 -0.39 -2.46 119.26 116.69 1i17 h ALA 62 Ca 0.11 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1i17 h ALA 62 Cb 0.27 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1i17 h ALA 62 CO -0.00 -0.02 0.03 1.15 0.00 0.00 0.00 179.25 180.41 1i17 h THR 63 N 0.52 0.79 0.06 0.00 2.02 -0.93 0.10 112.91 115.47 1i17 h THR 63 Ca 0.14 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.29 1i17 h THR 63 Cb -0.02 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 1i17 h THR 63 CO -0.03 0.02 -0.45 1.56 0.37 0.00 0.00 175.52 177.00 1i17 h GLN 64 N 0.13 -0.58 -0.68 6.66 4.20 -1.35 -2.29 115.11 121.20 1i17 h GLN 64 Ca 0.16 0.04 0.10 0.00 0.06 0.00 0.00 58.65 59.01 1i17 h GLN 64 Cb 0.20 0.13 -0.08 0.00 0.30 0.00 0.00 27.48 28.04 1i17 h GLN 64 CO -0.24 -0.39 0.30 0.00 -0.67 0.00 0.00 178.83 177.83 1i17 h ALA 65 N -0.67 0.92 -0.24 3.87 0.00 -1.12 -2.54 119.26 119.49 1i17 h ALA 65 Ca 0.00 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1i17 h ALA 65 Cb 0.62 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1i17 h ALA 65 CO -0.26 -0.12 -0.28 0.00 0.00 0.00 0.00 179.25 178.58 1i17 h ALA 66 N 1.44 1.08 -0.65 0.00 0.00 -0.94 -3.36 119.26 116.85 1i17 h ALA 66 Ca 0.34 -0.36 -0.46 0.00 0.00 0.00 0.00 54.91 54.44 1i17 h ALA 66 Cb 0.41 -0.12 -0.41 0.00 0.00 0.00 0.00 17.79 17.68 1i17 h ALA 66 CO -0.30 0.57 -0.88 0.09 0.00 0.00 0.00 179.25 178.72 1i17 n ASN 67 N -4.10 4.01 -0.14 0.00 3.02 -0.87 -4.89 115.26 112.28 1i17 n ASN 67 Ca -0.01 -3.33 -0.04 0.00 -0.03 0.00 0.00 54.58 51.18 1i17 n ASN 67 Cb 0.42 -0.38 0.05 0.00 -0.61 0.00 0.00 39.78 39.26 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 0.25 -0.40 3.52 1.08 -1.62 -2.73 115.11 117.45 1i17 h GLN 68 Ca 0.23 -0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.49 1i17 h GLN 68 Cb 1.46 -0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 28.78 1i17 h GLN 68 CO 0.59 0.16 0.01 0.00 -0.95 0.00 0.00 178.83 178.65 1i17 h ALA 69 N 1.34 0.38 0.14 3.87 0.00 -1.90 0.04 119.26 123.12 1i17 h ALA 69 Ca 0.22 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.26 1i17 h ALA 69 Cb 0.27 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1i17 h ALA 69 CO -0.27 -0.38 -0.35 0.93 0.00 0.00 0.00 179.25 179.18 1i17 h GLU 70 N 0.12 -0.57 0.33 0.00 4.39 -1.90 -1.73 114.58 115.22 1i17 h GLU 70 Ca 0.20 0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.92 1i17 h GLU 70 Cb 0.27 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1i17 h GLU 70 CO -0.31 -0.38 -0.16 0.74 -1.16 0.00 0.00 179.01 177.73 1i17 h PHE 71 N -0.59 -0.42 -0.15 4.33 0.04 -1.42 -2.92 116.94 115.81 1i17 h PHE 71 Ca 0.02 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.83 1i17 h PHE 71 Cb 0.61 0.14 -0.07 0.00 2.20 0.00 0.00 35.95 38.83 1i17 h PHE 71 CO -0.30 -0.26 -0.40 1.03 -0.60 0.00 0.00 178.31 177.77 1i17 h SER 72 N -0.45 -1.27 0.00 2.17 0.87 -0.89 -0.73 113.55 113.25 1i17 h SER 72 Ca -0.04 0.17 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1i17 h SER 72 Cb 0.35 0.52 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1i17 h SER 72 CO 0.07 -0.41 -0.00 0.03 -0.53 0.00 0.00 176.83 175.99 1i17 h ARG 73 N -0.46 -0.00 0.76 2.24 2.47 -1.40 -3.31 114.38 114.68 1i17 h ARG 73 Ca 0.08 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.77 1i17 h ARG 73 Cb 0.61 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.94 1i17 h ARG 73 CO -0.40 0.01 -0.37 0.93 0.56 0.00 0.00 179.97 180.70 1i17 h GLU 74 N -0.02 -0.98 -1.31 0.04 4.39 -1.37 -3.35 114.58 111.98 1i17 h GLU 74 Ca -0.00 0.07 0.39 0.00 0.34 0.00 0.00 59.36 60.16 1i17 h GLU 74 Cb 0.02 0.22 -0.10 0.00 -0.10 0.00 0.00 28.75 28.79 1i17 h GLU 74 CO 0.00 -0.64 0.88 -0.22 -1.16 0.00 0.00 179.01 177.87 1i17 h LYS 75 N -1.15 0.13 -0.79 2.33 3.64 -1.22 0.13 116.57 119.65 1i17 h LYS 75 Ca -0.10 -0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.40 1i17 h LYS 75 Cb 0.80 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.50 1i17 h LYS 75 CO 0.17 0.09 0.38 1.96 -2.27 0.00 0.00 179.45 179.78 1i17 h GLN 76 N 0.14 0.56 0.00 1.90 1.08 -1.70 -3.39 115.11 113.71 1i17 h GLN 76 Ca 0.73 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.89 1i17 h GLN 76 Cb 2.39 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 29.69 1i17 h GLN 76 CO -0.26 0.37 -0.62 -3.47 -0.95 0.00 0.00 178.83 173.91 1i17 n ASP 77 N -4.89 2.58 -3.29 1.46 2.03 -0.72 -4.90 116.55 108.81 1i17 n ASP 77 Ca 0.14 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.13 1i17 n ASP 77 Cb 0.38 0.05 -0.02 0.00 -0.72 0.00 0.00 41.12 40.80 1i17 n ASP 77 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1i17 n SER 78 N -2.01 6.51 0.16 1.67 2.88 0.39 -4.78 113.62 118.45 1i17 n SER 78 Ca 0.00 -2.48 -0.14 0.00 -1.33 0.00 0.00 58.87 54.91 1i17 n SER 78 Cb 0.31 -1.34 -0.08 0.00 -0.75 0.00 0.00 64.21 62.35 1i17 n SER 78 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1i17 h LYS 79 N 5.77 -0.33 -0.49 -1.46 1.63 -1.81 -2.86 116.57 117.01 1i17 h LYS 79 Ca 0.67 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.49 1i17 h LYS 79 Cb 0.27 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.95 1i17 h LYS 79 CO 1.65 -0.21 0.31 1.25 -3.45 0.00 0.00 179.45 179.01 1i17 h LEU 80 N -0.36 0.58 -0.61 5.20 5.85 -1.98 -3.26 115.31 120.74 1i17 h LEU 80 Ca -0.04 -0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.77 1i17 h LEU 80 Cb 0.28 -0.15 -0.11 0.00 0.37 0.00 0.00 40.66 41.05 1i17 h LEU 80 CO 0.06 0.45 -0.09 -0.74 -0.34 0.00 0.00 178.44 177.78 1i17 h HIS 81 N 0.66 -0.20 -0.32 1.25 2.76 -1.91 -1.89 115.15 115.50 1i17 h HIS 81 Ca 0.18 0.05 0.07 0.00 -2.20 0.00 0.00 60.37 58.47 1i17 h HIS 81 Cb -0.04 0.18 -0.08 0.00 1.55 0.00 0.00 27.41 29.03 1i17 h HIS 81 CO -0.03 -0.22 -0.23 1.96 -1.30 0.00 0.00 177.93 178.10 1i17 h GLN 82 N 0.05 -0.19 -0.01 5.26 1.08 -1.58 0.91 115.11 120.63 1i17 h GLN 82 Ca 0.30 0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.54 1i17 h GLN 82 Cb 0.48 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.92 1i17 h GLN 82 CO -0.58 -0.13 -0.18 0.00 -0.95 0.00 0.00 178.83 176.99 1i17 h ARG 83 N -0.20 -0.28 0.29 1.46 -0.00 -1.48 0.24 114.38 114.41 1i17 h ARG 83 Ca 0.16 0.02 -0.00 0.00 -0.50 0.00 0.00 59.98 59.66 1i17 h ARG 83 Cb 0.45 0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.47 1i17 h ARG 83 CO -0.44 -0.19 -0.23 0.28 0.00 0.00 0.00 179.97 179.39 1i17 h VAL 84 N -0.29 0.51 -0.35 2.04 2.07 -1.31 -2.17 116.25 116.75 1i17 h VAL 84 Ca 0.06 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.62 1i17 h VAL 84 Cb 0.37 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1i17 h VAL 84 CO -0.18 0.00 0.11 0.25 0.02 0.00 0.00 177.57 177.77 1i17 h LEU 85 N -0.53 0.10 -0.57 2.57 5.85 -0.62 -1.30 115.31 120.82 1i17 h LEU 85 Ca -0.02 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 1i17 h LEU 85 Cb 0.46 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1i17 h LEU 85 CO -0.01 0.09 0.17 -0.50 -0.34 0.00 0.00 178.44 177.85 1i17 h TRP 86 N 0.25 0.91 -0.23 1.25 4.06 -0.95 0.48 115.95 121.73 1i17 h TRP 86 Ca 0.16 -0.09 0.05 0.00 2.06 0.00 0.00 58.89 61.07 1i17 h TRP 86 Cb 0.15 -0.26 -0.05 0.00 -1.00 0.00 0.00 29.16 28.00 1i17 h TRP 86 CO -0.15 0.77 -0.08 -0.09 -3.56 0.00 0.00 178.44 175.33 1i17 h ARG 87 N 0.79 -0.04 0.25 0.49 9.65 -1.17 -0.45 114.38 123.91 1i17 h ARG 87 Ca 0.18 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 59.07 1i17 h ARG 87 Cb 0.29 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.85 1i17 h ARG 87 CO -0.01 -0.02 -0.29 1.25 2.80 0.00 0.00 179.97 183.70 1i17 h LEU 88 N -0.04 -0.79 -0.51 3.80 5.85 -1.06 -1.30 115.31 121.25 1i17 h LEU 88 Ca 0.12 0.08 0.10 0.00 0.84 0.00 0.00 57.88 59.01 1i17 h LEU 88 Cb 0.21 0.28 -0.09 0.00 0.37 0.00 0.00 40.66 41.43 1i17 h LEU 88 CO -0.26 -0.41 -0.03 0.40 -0.34 0.00 0.00 178.44 177.80 1i17 h ILE 89 N -0.58 0.56 -0.31 4.05 2.04 -0.74 -0.07 117.51 122.45 1i17 h ILE 89 Ca -0.00 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1i17 h ILE 89 Cb 0.55 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1i17 h ILE 89 CO -0.09 0.02 0.20 0.50 0.00 0.00 0.00 178.15 178.78 1i17 h LYS 90 N 0.08 0.41 -0.58 2.37 3.64 -0.98 0.70 116.57 122.22 1i17 h LYS 90 Ca 0.26 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.67 1i17 h LYS 90 Cb 0.39 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.07 1i17 h LYS 90 CO -0.46 0.28 0.30 0.93 -2.27 0.00 0.00 179.45 178.23 1i17 h GLU 91 N 0.42 0.54 0.41 1.90 4.39 -0.66 0.11 114.58 121.69 1i17 h GLU 91 Ca 0.11 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 1i17 h GLU 91 Cb -0.04 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 1i17 h GLU 91 CO -0.02 0.36 -0.29 0.82 -1.16 0.00 0.00 179.01 178.72 1i17 h ILE 92 N 0.56 0.40 -0.64 3.13 2.04 -0.76 -2.57 117.51 119.67 1i17 h ILE 92 Ca 0.26 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.20 1i17 h ILE 92 Cb 0.19 0.40 -0.06 0.00 -0.74 0.00 0.00 36.82 36.60 1i17 h ILE 92 CO -0.19 0.00 0.31 0.00 0.00 0.00 0.00 178.15 178.27 1i17 h SER 94 N 0.54 0.00 1.19 0.00 0.02 -0.69 -2.65 113.55 111.96 1i17 h SER 94 Ca 0.31 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.23 1i17 h SER 94 Cb 0.30 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 1i17 h SER 94 CO -0.25 0.00 -0.12 0.00 -1.14 0.00 0.00 176.83 175.33 1i17 h ALA 95 N 1.90 0.99 -2.71 3.77 0.00 -0.93 -3.46 119.26 118.82 1i17 h ALA 95 Ca 0.03 -0.11 -0.52 0.00 0.00 0.00 0.00 54.91 54.31 1i17 h ALA 95 Cb 0.19 -0.02 0.07 0.00 0.00 0.00 0.00 17.79 18.02 1i17 h ALA 95 CO -0.00 0.15 0.97 0.15 0.00 0.00 0.00 179.25 180.52 1i17 s LYS 96 N -3.53 4.12 -0.11 0.00 3.01 -1.00 -5.02 119.74 117.21 1i17 s LYS 96 Ca 0.02 2.60 -0.03 0.00 -1.01 0.00 0.00 55.97 57.55 1i17 s LYS 96 Cb 0.09 -3.05 0.05 0.00 -1.01 0.00 0.00 37.83 33.90 1i17 s LYS 96 CO 0.61 -0.71 0.12 -1.58 0.51 0.00 0.00 175.35 174.30 1i17 s HIS 97 N 0.74 -0.02 0.53 3.18 2.46 -1.26 -5.01 115.29 115.90 1i17 s HIS 97 Ca 0.71 0.23 -0.20 0.00 0.47 0.00 0.00 55.06 56.26 1i17 s HIS 97 Cb -0.49 -0.45 -0.06 0.00 -0.13 0.00 0.00 32.58 31.45 1i17 s HIS 97 CO 0.38 -0.34 1.13 0.00 -2.47 0.00 0.00 174.74 173.43 1i17 h ASP 99 N 1.30 0.78 0.91 0.00 3.58 -2.01 -3.24 116.42 117.74 1i17 h ASP 99 Ca -0.50 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 56.71 1i17 h ASP 99 Cb 1.26 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.10 1i17 h ASP 99 CO 0.57 0.82 0.00 2.19 -2.88 0.00 0.00 179.24 179.95 1i17 h PHE 100 N 0.71 0.00 -3.54 0.28 -5.15 -1.98 -3.46 116.94 103.80 1i17 h PHE 100 Ca 0.16 0.00 -0.54 0.00 -0.20 0.00 0.00 57.97 57.38 1i17 h PHE 100 Cb 0.36 0.00 0.10 0.00 0.22 0.00 0.00 35.95 36.62 1i17 h PHE 100 CO 0.02 0.00 0.79 0.91 -2.00 0.00 0.00 178.31 178.03 1i17 n TRP 101 N -2.59 2.84 -4.10 6.09 8.01 -1.23 -4.85 117.44 121.61 1i17 n TRP 101 Ca 0.02 0.37 -0.11 0.00 -1.31 0.00 0.00 57.50 56.47 1i17 n TRP 101 Cb 0.28 -2.55 -0.07 0.00 -2.01 0.00 0.00 31.31 26.96 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 -1.20 0.75 0.04 -0.99 2.34 -1.26 -5.06 118.68 113.30 1i17 s LEU 102 Ca 0.59 -1.18 0.03 0.00 0.06 0.00 0.00 54.13 53.62 1i17 s LEU 102 Cb -0.50 1.12 -0.02 0.00 -0.56 0.00 0.00 46.19 46.22 1i17 s LEU 102 CO 0.57 -1.02 -0.10 -1.61 -1.06 0.00 0.00 176.35 173.13 1i17 s GLU 103 N -4.01 0.63 0.29 1.48 2.02 -1.26 -5.18 118.70 112.67 1i17 s GLU 103 Ca 0.31 -0.75 -0.02 0.00 0.02 0.00 0.00 54.97 54.52 1i17 s GLU 103 Cb 0.03 -0.50 -0.02 0.00 0.10 0.00 0.00 34.13 33.75 1i17 s GLU 103 CO 0.11 0.11 0.35 -0.98 0.02 0.00 0.00 175.26 174.87 1i17 s ARG 104 N -1.44 1.63 0.00 1.61 1.04 -1.26 -5.20 118.95 115.34 1i17 s ARG 104 Ca -0.06 -1.67 0.00 0.00 -1.04 0.00 0.00 55.73 52.96 1i17 s ARG 104 Cb -0.09 0.38 0.00 0.00 -2.04 0.00 0.00 34.95 33.20 1i17 s ARG 104 CO 0.01 -0.63 0.00 0.41 -0.04 0.00 0.00 175.30 175.04 1i17 n GLY 105 N -0.46 5.41 3.21 3.88 0.00 -1.26 -5.20 105.19 110.77 1i17 n GLY 105 Ca 0.02 -1.45 -0.09 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.00 -0.32 0.00 4.61 0.00 -1.26 -5.37 121.76 117.42 1i17 s ALA 106 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1i17 s ALA 106 Cb 0.00 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.55 1i17 s ALA 106 CO 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 175.76 175.29