#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 3.79 0.71 5.15 1.01 -1.26 -5.03 120.40 124.78 1i17 s VAL 2 Ca 0.00 1.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.89 1i17 s VAL 2 Cb 0.00 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.74 1i17 s VAL 2 CO 0.00 -0.07 1.07 0.00 0.00 0.00 0.00 175.10 176.11 1i17 s ALA 3 N 3.45 2.53 0.03 5.51 0.00 -1.26 -5.02 121.76 126.99 1i17 s ALA 3 Ca 0.66 0.20 -0.30 0.00 0.00 0.00 0.00 51.96 52.52 1i17 s ALA 3 Cb -0.30 -3.22 -0.07 0.00 0.00 0.00 0.00 23.12 19.53 1i17 s ALA 3 CO 0.25 -1.37 1.53 -1.21 0.00 0.00 0.00 175.76 174.95 1i17 s GLU 4 N -4.85 4.24 -1.39 0.00 0.41 -1.26 -4.93 118.70 110.92 1i17 s GLU 4 Ca 0.60 2.14 -0.10 0.00 -0.41 0.00 0.00 54.97 57.20 1i17 s GLU 4 Cb -0.16 -3.61 -0.07 0.00 -1.78 0.00 0.00 34.13 28.52 1i17 s GLU 4 CO 0.53 -0.66 2.60 0.09 -0.49 0.00 0.00 175.26 177.33 1i17 n ASN 5 N 5.58 6.82 -4.87 -0.19 4.13 -1.26 -4.86 115.26 120.61 1i17 n ASN 5 Ca 0.15 -2.56 -0.30 0.00 1.68 0.00 0.00 54.58 53.54 1i17 n ASN 5 Cb 0.42 -1.44 -0.02 0.00 -1.54 0.00 0.00 39.78 37.20 1i17 n ASN 5 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1i17 s ARG 6 N 2.77 3.74 -0.24 3.52 1.70 -1.26 -4.97 118.95 124.22 1i17 s ARG 6 Ca 0.59 0.63 -0.39 0.00 -0.47 0.00 0.00 55.73 56.08 1i17 s ARG 6 Cb 0.15 -2.24 -0.15 0.00 -0.57 0.00 0.00 34.95 32.14 1i17 s ARG 6 CO -0.05 -0.26 1.73 -2.30 -1.08 0.00 0.00 175.30 173.34 1i17 n PRO 7 N -1.89 1.24 0.00 3.89 -0.02 -1.26 -1.46 135.00 135.49 1i17 n PRO 7 Ca 0.04 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1i17 n PRO 7 Cb 0.54 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 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 4.09 1.83 3.73 -1.23 0.00 0.32 -4.62 105.19 109.30 1i17 n GLY 8 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.24 3.82 0.62 4.61 0.00 -0.54 -4.25 121.76 123.79 1i17 s ALA 9 Ca 0.00 1.50 -0.18 0.00 0.00 0.00 0.00 51.96 53.28 1i17 s ALA 9 Cb 0.00 -3.65 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 1i17 s ALA 9 CO 0.00 -0.88 1.26 -0.06 0.00 0.00 0.00 175.76 176.07 1i17 s PHE 10 N 0.73 2.21 -0.41 0.00 0.08 -1.26 -0.92 117.98 118.41 1i17 s PHE 10 Ca 0.69 1.50 0.03 0.00 0.12 0.00 0.00 56.93 59.26 1i17 s PHE 10 Cb -0.47 -3.61 0.11 0.00 -0.57 0.00 0.00 43.02 38.49 1i17 s PHE 10 CO 0.37 -2.62 0.15 0.42 -0.10 0.00 0.00 175.22 173.44 1i17 s ILE 11 N -1.48 2.56 -0.84 0.64 1.01 0.08 -4.78 121.20 118.39 1i17 s ILE 11 Ca 0.80 -2.60 -0.17 0.00 0.00 0.00 0.00 60.65 58.67 1i17 s ILE 11 Cb -0.34 -2.83 0.15 0.00 0.01 0.00 0.00 42.46 39.45 1i17 s ILE 11 CO 0.37 -0.68 0.95 -0.54 0.00 0.00 0.00 174.94 175.04 1i17 s LYS 12 N 0.56 3.51 0.43 2.79 1.02 -1.26 -1.03 119.74 125.77 1i17 s LYS 12 Ca 0.13 -1.89 0.24 0.00 0.02 0.00 0.00 55.97 54.46 1i17 s LYS 12 Cb -0.21 -4.66 0.54 0.00 -0.52 0.00 0.00 37.83 32.98 1i17 s LYS 12 CO -0.05 -1.60 1.67 1.96 -0.92 0.00 0.00 175.35 176.41 1i17 h GLN 13 N 8.58 0.00 -4.72 1.68 4.20 -1.93 -3.48 115.11 119.44 1i17 h GLN 13 Ca 0.07 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.56 1i17 h GLN 13 Cb 1.04 0.00 0.13 0.00 0.30 0.00 0.00 27.48 28.95 1i17 h GLN 13 CO 1.00 0.11 -0.59 0.41 -0.67 0.00 0.00 178.83 179.08 1i17 n GLY 14 N 0.84 -0.35 2.92 3.46 0.00 -1.26 -5.05 105.19 105.74 1i17 n GLY 14 Ca 0.03 0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 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 -4.55 1.04 -0.38 1.61 3.00 -1.26 -4.82 118.95 113.58 1i17 s ARG 15 Ca 0.15 -0.18 -0.29 0.00 -1.00 0.00 0.00 55.73 54.41 1i17 s ARG 15 Cb -0.02 -0.97 0.01 0.00 0.00 0.00 0.00 34.95 33.96 1i17 s ARG 15 CO 0.54 -0.05 1.41 0.21 0.00 0.00 0.00 175.30 177.40 1i17 s LYS 16 N 0.85 3.64 1.09 5.12 2.20 -1.26 -4.89 119.74 126.49 1i17 s LYS 16 Ca -0.12 1.03 -0.18 0.00 -0.36 0.00 0.00 55.97 56.35 1i17 s LYS 16 Cb -0.15 -4.00 0.25 0.00 -1.51 0.00 0.00 37.83 32.42 1i17 s LYS 16 CO 0.01 -1.48 1.20 -0.51 -0.36 0.00 0.00 175.35 174.20 1i17 s LEU 17 N 5.27 1.56 -0.44 5.43 1.43 -1.26 -5.08 118.68 125.58 1i17 s LEU 17 Ca 0.61 0.50 0.03 0.00 -1.03 0.00 0.00 54.13 54.24 1i17 s LEU 17 Cb -0.15 -2.38 0.12 0.00 0.03 0.00 0.00 46.19 43.82 1i17 s LEU 17 CO 0.31 -3.50 0.21 -0.62 0.23 0.00 0.00 176.35 172.97 1i17 s ASP 18 N -4.30 4.12 -0.05 2.29 2.15 -1.26 -5.06 116.67 114.56 1i17 s ASP 18 Ca 0.72 -2.62 0.01 0.00 0.43 0.00 0.00 52.55 51.09 1i17 s ASP 18 Cb -0.08 -1.35 0.02 0.00 -0.30 0.00 0.00 42.92 41.22 1i17 s ASP 18 CO 0.55 -0.28 -0.06 -0.63 -0.17 0.00 0.00 175.17 174.57 1i17 s ILE 19 N 0.29 0.70 -1.09 4.11 1.01 -1.26 -5.09 121.20 119.87 1i17 s ILE 19 Ca 0.16 -0.21 -0.18 0.00 0.00 0.00 0.00 60.65 60.42 1i17 s ILE 19 Cb -0.24 -0.70 0.12 0.00 0.01 0.00 0.00 42.46 41.66 1i17 s ILE 19 CO -0.03 0.26 1.36 -0.62 0.00 0.00 0.00 174.94 175.92 1i17 s ASP 20 N 0.93 6.79 0.20 3.58 2.15 -1.26 -4.82 116.67 124.24 1i17 s ASP 20 Ca -0.11 -2.34 -0.10 0.00 0.43 0.00 0.00 52.55 50.44 1i17 s ASP 20 Cb -0.15 -2.45 0.13 0.00 -0.30 0.00 0.00 42.92 40.15 1i17 s ASP 20 CO 0.00 -1.04 1.78 -0.26 -0.17 0.00 0.00 175.17 175.49 1i17 h PHE 21 N 8.23 1.05 0.00 -5.34 0.04 -1.98 -3.50 116.94 115.44 1i17 h PHE 21 Ca 0.26 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.97 1i17 h PHE 21 Cb 0.95 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.78 1i17 h PHE 21 CO 1.20 0.78 0.00 0.41 -0.60 0.00 0.00 178.31 180.10 1i17 n GLY 22 N -0.95 4.03 0.41 -1.45 0.00 -1.26 -4.88 105.19 101.09 1i17 n GLY 22 Ca 0.06 -1.58 -0.08 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.33 -0.47 4.61 0.00 -1.99 0.19 119.26 121.27 1i17 h ALA 23 Ca 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1i17 h ALA 23 Cb 0.00 1.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1i17 h ALA 23 CO 0.00 -0.85 0.17 1.49 0.00 0.00 0.00 179.25 180.06 1i17 h GLU 24 N -0.08 0.72 -0.54 0.00 4.81 -2.00 -2.61 114.58 114.88 1i17 h GLU 24 Ca 0.21 -0.14 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 1i17 h GLU 24 Cb 0.51 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1i17 h GLU 24 CO -0.88 0.66 0.05 0.78 -0.73 0.00 0.00 179.01 178.89 1i17 h GLY 25 N 0.63 1.00 0.60 1.92 0.00 -1.57 -1.42 103.07 104.23 1i17 h GLY 25 Ca 0.16 -0.70 0.04 0.00 0.00 0.00 0.00 47.33 46.83 1i17 h GLY 25 CO -0.01 0.65 0.00 3.43 0.00 0.00 0.00 176.54 180.61 1i17 h ASN 26 N 0.81 -0.10 -0.32 0.19 2.35 -0.66 -0.13 115.58 117.72 1i17 h ASN 26 Ca 0.16 0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1i17 h ASN 26 Cb 0.47 0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 1i17 h ASN 26 CO 0.02 -0.02 0.20 0.03 -1.65 0.00 0.00 177.43 176.01 1i17 h ARG 27 N 0.08 0.44 0.21 0.81 3.08 -1.37 -1.24 114.38 116.38 1i17 h ARG 27 Ca 0.12 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1i17 h ARG 27 Cb 0.16 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1i17 h ARG 27 CO -0.21 0.32 -0.17 -0.92 -1.07 0.00 0.00 179.97 177.93 1i17 h TYR 28 N 0.42 -0.44 0.14 3.04 3.20 -1.00 -2.50 116.97 119.83 1i17 h TYR 28 Ca 0.12 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.00 1i17 h TYR 28 Cb -0.01 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 1i17 h TYR 28 CO -0.04 -0.26 -0.24 -0.92 -1.64 0.00 0.00 178.16 175.06 1i17 h TYR 29 N -0.39 -0.64 -1.00 -3.82 3.20 -0.98 -1.55 116.97 111.80 1i17 h TYR 29 Ca -0.01 0.01 0.23 0.00 3.14 0.00 0.00 58.73 62.10 1i17 h TYR 29 Cb 0.35 0.26 -0.09 0.00 1.54 0.00 0.00 36.73 38.79 1i17 h TYR 29 CO -0.12 -0.34 0.63 0.00 -1.64 0.00 0.00 178.16 176.70 1i17 h ALA 30 N 0.30 2.06 0.00 1.82 0.00 -1.19 0.10 119.26 122.35 1i17 h ALA 30 Ca 0.02 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1i17 h ALA 30 Cb 0.46 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1i17 h ALA 30 CO -0.12 -0.43 -0.41 0.00 0.00 0.00 0.00 179.25 178.29 1i17 h ALA 31 N 1.63 0.81 0.00 0.00 0.00 -1.17 -3.41 119.26 117.12 1i17 h ALA 31 Ca 0.56 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1i17 h ALA 31 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1i17 h ALA 31 CO -0.30 0.17 0.00 0.09 0.00 0.00 0.00 179.25 179.21 1i17 n ASN 32 N -3.01 0.76 0.05 0.00 3.02 -0.46 -4.90 115.26 110.72 1i17 n ASN 32 Ca 0.02 -1.33 0.21 0.00 -0.03 0.00 0.00 54.58 53.45 1i17 n ASN 32 Cb 0.59 0.00 0.72 0.00 -0.61 0.00 0.00 39.78 40.48 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 -0.87 3.10 -0.00 -1.09 -1.40 116.97 116.70 1i17 h TYR 33 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 58.73 58.92 1i17 h TYR 33 Cb 0.66 0.00 -0.06 0.00 0.00 0.00 0.00 36.73 37.33 1i17 h TYR 33 CO 0.00 0.00 0.58 0.11 -0.00 0.00 0.00 178.16 178.85 1i17 h TRP 34 N 0.00 0.50 -0.30 0.10 5.08 -1.87 -2.37 115.95 117.09 1i17 h TRP 34 Ca 0.23 0.02 -0.15 0.00 1.08 0.00 0.00 58.89 60.07 1i17 h TRP 34 Cb 1.26 -0.15 -0.01 0.00 -3.00 0.00 0.00 29.16 27.26 1i17 h TRP 34 CO 0.00 0.14 -0.42 1.96 -1.28 0.00 0.00 178.44 178.84 1i17 h GLN 35 N 0.39 0.74 -7.28 0.12 4.20 -1.67 -3.44 115.11 108.17 1i17 h GLN 35 Ca 0.45 -0.40 -0.50 0.00 0.06 0.00 0.00 58.65 58.26 1i17 h GLN 35 Cb 1.13 0.02 0.07 0.00 0.30 0.00 0.00 27.48 29.00 1i17 h GLN 35 CO -0.16 1.02 0.38 -0.06 -0.67 0.00 0.00 178.83 179.34 1i17 s PHE 36 N -4.27 3.16 0.50 2.96 0.40 -0.89 -5.07 117.98 114.77 1i17 s PHE 36 Ca -0.09 1.44 -0.20 0.00 -0.60 0.00 0.00 56.93 57.48 1i17 s PHE 36 Cb 0.12 -2.90 -0.08 0.00 0.51 0.00 0.00 43.02 40.67 1i17 s PHE 36 CO 0.85 -1.04 1.06 -1.25 0.70 0.00 0.00 175.22 175.54 1i17 s PRO 37 N -4.63 3.69 -0.17 0.24 0.04 -1.26 -4.64 135.00 128.26 1i17 s PRO 37 Ca 0.60 1.42 0.09 0.00 0.04 0.00 0.00 61.00 63.15 1i17 s PRO 37 Cb -0.14 -2.07 -0.17 0.00 0.04 0.00 0.00 34.50 32.16 1i17 s PRO 37 CO 0.46 -0.53 -0.04 -3.47 0.04 0.00 0.00 177.00 173.47 1i17 n ASP 38 N -1.05 1.64 -4.21 6.66 2.03 -0.20 -4.97 116.55 116.46 1i17 n ASP 38 Ca 0.10 -0.04 -0.20 0.00 0.52 0.00 0.00 54.79 55.17 1i17 n ASP 38 Cb 0.52 0.42 -0.10 0.00 -0.72 0.00 0.00 41.12 41.24 1i17 n ASP 38 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1i17 s GLY 39 N -5.32 2.08 -0.05 0.27 0.00 -0.63 -5.02 107.32 98.63 1i17 s GLY 39 Ca -0.15 -1.76 -0.01 0.00 0.00 0.00 0.00 44.72 42.81 1i17 s GLY 39 CO 0.57 -1.69 0.00 -0.42 0.00 0.00 0.00 173.10 171.56 1i17 s ILE 40 N -3.50 0.28 -0.67 0.90 1.01 -1.26 -0.75 121.20 117.21 1i17 s ILE 40 Ca 0.34 0.12 -0.26 0.00 0.00 0.00 0.00 60.65 60.84 1i17 s ILE 40 Cb 0.06 -0.42 -0.01 0.00 0.01 0.00 0.00 42.46 42.10 1i17 s ILE 40 CO 0.15 0.21 1.74 -0.47 0.00 0.00 0.00 174.94 176.57 1i17 s TYR 41 N 1.59 1.82 -0.24 3.97 5.04 -0.10 -4.94 117.35 124.49 1i17 s TYR 41 Ca -0.01 0.56 -0.22 0.00 -2.44 0.00 0.00 57.07 54.95 1i17 s TYR 41 Cb -0.13 -4.21 0.06 0.00 0.35 0.00 0.00 41.96 38.03 1i17 s TYR 41 CO -0.03 -2.20 0.64 -0.47 -1.34 0.00 0.00 175.55 172.14 1i17 s TYR 42 N 8.37 -0.71 -0.46 4.97 5.04 -1.26 -0.52 117.35 132.78 1i17 s TYR 42 Ca 0.60 1.71 0.03 0.00 -2.44 0.00 0.00 57.07 56.97 1i17 s TYR 42 Cb -0.11 0.25 0.14 0.00 0.35 0.00 0.00 41.96 42.59 1i17 s TYR 42 CO 0.17 -0.34 0.26 -1.21 -1.34 0.00 0.00 175.55 173.08 1i17 s GLU 43 N 0.37 1.41 -0.40 4.97 2.02 -1.26 -5.01 118.70 120.80 1i17 s GLU 43 Ca -0.00 -2.14 -0.01 0.00 0.02 0.00 0.00 54.97 52.84 1i17 s GLU 43 Cb -0.04 -2.48 0.31 0.00 0.10 0.00 0.00 34.13 32.02 1i17 s GLU 43 CO 0.00 -1.17 1.95 0.41 0.02 0.00 0.00 175.26 176.48 1i17 n GLY 44 N 3.40 4.48 3.05 -1.39 0.00 -1.26 -4.84 105.19 108.63 1i17 n GLY 44 Ca 0.09 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 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 3.76 0.02 -3.84 0.00 3.41 -1.26 -5.07 113.62 110.65 1i17 n SER 46 Ca -0.21 -0.54 -0.13 0.00 -0.26 0.00 0.00 58.87 57.73 1i17 n SER 46 Cb 0.55 0.02 -0.14 0.00 -0.26 0.00 0.00 64.21 64.38 1i17 n SER 46 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1i17 s GLU 47 N -0.02 0.06 0.49 4.33 0.41 -1.26 -5.05 118.70 117.66 1i17 s GLU 47 Ca 0.00 0.11 0.22 0.00 -0.41 0.00 0.00 54.97 54.89 1i17 s GLU 47 Cb 0.00 -0.01 1.27 0.00 -1.78 0.00 0.00 34.13 33.61 1i17 s GLU 47 CO 0.00 -0.04 1.97 0.00 -0.49 0.00 0.00 175.26 176.71 1i17 h ALA 48 N 6.27 2.36 0.00 5.21 0.00 -1.99 -2.00 119.26 129.11 1i17 h ALA 48 Ca -0.28 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1i17 h ALA 48 Cb 1.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1i17 h ALA 48 CO 0.47 -0.52 -0.12 -0.91 0.00 0.00 0.00 179.25 178.17 1i17 h ASN 49 N 0.15 0.00 -4.08 0.00 2.35 -2.01 -3.47 115.58 108.52 1i17 h ASN 49 Ca 0.29 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.48 1i17 h ASN 49 Cb 0.93 0.00 0.16 0.00 0.05 0.00 0.00 38.32 39.46 1i17 h ASN 49 CO -0.04 0.12 0.53 0.55 -1.65 0.00 0.00 177.43 176.94 1i17 n VAL 50 N -3.36 4.73 -4.43 2.81 3.14 -0.75 -5.05 118.33 115.41 1i17 n VAL 50 Ca -0.01 -0.50 -0.27 0.00 -2.96 0.00 0.00 64.34 60.61 1i17 n VAL 50 Cb 0.31 -1.53 -0.10 0.00 -1.06 0.00 0.00 33.84 31.47 1i17 n VAL 50 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1i17 s THR 51 N -1.36 2.14 0.11 1.55 -4.23 -1.26 -5.03 115.64 107.55 1i17 s THR 51 Ca 0.80 -1.89 -0.21 0.00 -1.18 0.00 0.00 61.69 59.21 1i17 s THR 51 Cb -0.39 -2.99 -0.10 0.00 1.34 0.00 0.00 72.50 70.37 1i17 s THR 51 CO 0.42 -0.01 1.74 0.50 -0.54 0.00 0.00 174.62 176.73 1i17 h LYS 52 N 1.65 0.05 -0.51 3.99 3.64 -1.98 -0.62 116.57 122.79 1i17 h LYS 52 Ca -0.43 -0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.04 1i17 h LYS 52 Cb 1.25 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.97 1i17 h LYS 52 CO 0.76 0.03 -0.01 0.93 -2.27 0.00 0.00 179.45 178.90 1i17 h GLU 53 N 0.05 0.11 0.41 1.90 5.08 -1.99 -0.19 114.58 119.94 1i17 h GLU 53 Ca 0.04 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1i17 h GLU 53 Cb 0.04 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1i17 h GLU 53 CO -0.07 0.07 -0.33 0.52 -1.00 0.00 0.00 179.01 178.21 1i17 h MET 54 N 0.11 -0.71 -0.07 2.33 2.86 -1.94 -2.49 114.93 115.01 1i17 h MET 54 Ca 0.26 0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.98 1i17 h MET 54 Cb 0.39 0.16 -0.05 0.00 0.06 0.00 0.00 31.60 32.16 1i17 h MET 54 CO -0.43 -0.47 -0.23 1.25 1.06 0.00 0.00 176.91 178.09 1i17 h LEU 55 N -0.74 -0.69 -0.17 1.22 6.46 -0.46 0.49 115.31 121.41 1i17 h LEU 55 Ca -0.04 0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.83 1i17 h LEU 55 Cb 0.64 0.30 -0.01 0.00 -0.73 0.00 0.00 40.66 40.86 1i17 h LEU 55 CO -0.01 -0.29 0.10 0.58 -0.62 0.00 0.00 178.44 178.20 1i17 h VAL 56 N -0.32 1.09 -0.20 1.05 2.07 -1.13 -0.10 116.25 118.72 1i17 h VAL 56 Ca 0.08 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1i17 h VAL 56 Cb 0.44 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1i17 h VAL 56 CO -0.26 0.09 0.13 0.74 0.02 0.00 0.00 177.57 178.29 1i17 h THR 57 N 0.19 1.05 -0.79 2.57 2.02 -1.33 -2.44 112.91 114.17 1i17 h THR 57 Ca 0.06 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1i17 h THR 57 Cb 0.06 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 1i17 h THR 57 CO -0.01 0.05 0.47 0.28 0.37 0.00 0.00 175.52 176.68 1i17 h SER 58 N 0.27 0.95 -0.09 4.18 0.02 -0.77 -1.83 113.55 116.28 1i17 h SER 58 Ca 0.07 -0.06 0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1i17 h SER 58 Cb -0.03 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 1i17 h SER 58 CO -0.02 0.74 -0.01 0.00 -1.14 0.00 0.00 176.83 176.40 1i17 h VAL 60 N 0.01 0.68 -0.54 0.00 2.07 -1.18 -0.02 116.25 117.27 1i17 h VAL 60 Ca 0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.60 1i17 h VAL 60 Cb 0.06 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1i17 h VAL 60 CO -0.08 0.00 0.31 0.78 0.02 0.00 0.00 177.57 178.60 1i17 h ASN 61 N -0.06 0.49 -0.22 0.57 2.35 -1.12 -0.60 115.58 116.99 1i17 h ASN 61 Ca 0.12 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1i17 h ASN 61 Cb 0.24 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1i17 h ASN 61 CO -0.27 0.34 0.10 0.00 -1.65 0.00 0.00 177.43 175.95 1i17 h ALA 62 N 1.26 0.29 -0.23 -0.83 0.00 -0.47 -1.91 119.26 117.36 1i17 h ALA 62 Ca 0.23 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1i17 h ALA 62 Cb 0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1i17 h ALA 62 CO -0.12 -0.15 -0.05 1.15 0.00 0.00 0.00 179.25 180.08 1i17 h THR 63 N 0.23 0.78 -0.06 0.00 2.02 -0.79 0.14 112.91 115.23 1i17 h THR 63 Ca 0.08 -0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.28 1i17 h THR 63 Cb 0.13 0.77 -0.06 0.00 -1.74 0.00 0.00 68.15 67.24 1i17 h THR 63 CO -0.01 0.00 -0.53 1.56 0.37 0.00 0.00 175.52 176.91 1i17 h GLN 64 N 0.01 -0.60 -0.85 6.66 4.20 -1.05 -2.07 115.11 121.41 1i17 h GLN 64 Ca 0.11 0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.91 1i17 h GLN 64 Cb 0.17 0.14 -0.06 0.00 0.30 0.00 0.00 27.48 28.02 1i17 h GLN 64 CO -0.23 -0.40 0.54 0.00 -0.67 0.00 0.00 178.83 178.07 1i17 h ALA 65 N -0.38 1.15 -0.60 3.87 0.00 -1.08 -2.79 119.26 119.42 1i17 h ALA 65 Ca 0.02 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1i17 h ALA 65 Cb 0.69 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1i17 h ALA 65 CO -0.39 0.32 -0.01 0.00 0.00 0.00 0.00 179.25 179.17 1i17 h ALA 66 N 1.38 0.84 -0.68 0.00 0.00 -0.85 -3.35 119.26 116.59 1i17 h ALA 66 Ca 0.36 -0.32 -0.50 0.00 0.00 0.00 0.00 54.91 54.46 1i17 h ALA 66 Cb 0.10 -0.22 -0.38 0.00 0.00 0.00 0.00 17.79 17.29 1i17 h ALA 66 CO -0.15 0.67 -0.71 0.09 0.00 0.00 0.00 179.25 179.15 1i17 n ASN 67 N -4.17 4.70 -0.09 0.00 3.02 -0.79 -4.90 115.26 113.02 1i17 n ASN 67 Ca 0.03 -3.77 -0.09 0.00 -0.03 0.00 0.00 54.58 50.72 1i17 n ASN 67 Cb 0.35 -0.39 -0.03 0.00 -0.61 0.00 0.00 39.78 39.11 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 2.04 -0.29 -0.62 3.52 1.08 -1.65 -2.89 115.11 116.30 1i17 h GLN 68 Ca 0.34 0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.61 1i17 h GLN 68 Cb 1.46 0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 28.91 1i17 h GLN 68 CO 0.72 -0.20 0.35 0.00 -0.95 0.00 0.00 178.83 178.75 1i17 h ALA 69 N 0.60 0.82 0.06 3.87 0.00 -1.90 -0.02 119.26 122.69 1i17 h ALA 69 Ca 0.15 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1i17 h ALA 69 Cb 0.55 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1i17 h ALA 69 CO -0.51 0.04 -0.04 0.93 0.00 0.00 0.00 179.25 179.67 1i17 h GLU 70 N 0.66 -0.10 0.95 0.00 5.08 -1.93 -2.96 114.58 116.30 1i17 h GLU 70 Ca 0.27 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.59 1i17 h GLU 70 Cb 0.13 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.41 1i17 h GLU 70 CO -0.15 -0.06 -0.46 0.74 -1.00 0.00 0.00 179.01 178.07 1i17 h PHE 71 N -0.10 -1.19 -0.45 4.33 0.04 -1.37 -3.27 116.94 114.93 1i17 h PHE 71 Ca -0.01 -0.03 0.09 0.00 2.80 0.00 0.00 57.97 60.83 1i17 h PHE 71 Cb 0.08 0.39 -0.09 0.00 2.20 0.00 0.00 35.95 38.53 1i17 h PHE 71 CO -0.08 -0.74 -0.21 1.03 -0.60 0.00 0.00 178.31 177.71 1i17 h SER 72 N -1.35 -0.73 0.49 2.17 0.87 -1.04 -0.03 113.55 113.94 1i17 h SER 72 Ca -0.13 0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1i17 h SER 72 Cb 0.98 0.39 -0.01 0.00 -0.44 0.00 0.00 62.40 63.33 1i17 h SER 72 CO 0.22 -0.24 -0.31 0.03 -0.53 0.00 0.00 176.83 176.00 1i17 h ARG 73 N -0.12 -0.73 -0.20 2.24 3.08 -1.67 -3.30 114.38 113.68 1i17 h ARG 73 Ca 0.21 0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.27 1i17 h ARG 73 Cb 0.45 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1i17 h ARG 73 CO -0.53 -0.49 -0.03 0.93 -1.07 0.00 0.00 179.97 178.78 1i17 h GLU 74 N -0.76 0.38 -1.09 0.04 5.08 -1.54 -3.34 114.58 113.34 1i17 h GLU 74 Ca -0.05 -0.14 0.32 0.00 -1.00 0.00 0.00 59.36 58.48 1i17 h GLU 74 Cb 0.63 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 1i17 h GLU 74 CO 0.05 0.61 0.83 -0.22 -1.00 0.00 0.00 179.01 179.29 1i17 h LYS 75 N 0.11 0.00 -0.68 2.33 3.64 -1.08 0.86 116.57 121.75 1i17 h LYS 75 Ca 0.05 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.58 1i17 h LYS 75 Cb 0.47 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 1i17 h LYS 75 CO 0.02 0.00 0.47 1.96 -2.27 0.00 0.00 179.45 179.62 1i17 h GLN 76 N 0.00 0.27 0.00 1.90 1.08 -1.69 -3.39 115.11 113.28 1i17 h GLN 76 Ca 0.52 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.70 1i17 h GLN 76 Cb 2.18 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 29.54 1i17 h GLN 76 CO -0.01 0.18 -0.09 -3.47 -0.95 0.00 0.00 178.83 174.49 1i17 n ASP 77 N -4.44 0.41 -2.60 1.46 2.03 -0.43 -4.98 116.55 108.00 1i17 n ASP 77 Ca 0.13 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.24 1i17 n ASP 77 Cb 0.55 0.01 -0.09 0.00 -0.72 0.00 0.00 41.12 40.88 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 -1.33 5.75 -0.02 1.67 2.88 0.17 -4.75 113.62 117.99 1i17 n SER 78 Ca 0.00 -2.40 -0.09 0.00 -1.33 0.00 0.00 58.87 55.06 1i17 n SER 78 Cb 0.05 -1.29 -0.03 0.00 -0.75 0.00 0.00 64.21 62.20 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 4.35 -0.16 -0.29 -1.46 3.64 -1.85 -0.79 116.57 120.02 1i17 h LYS 79 Ca 0.42 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.85 1i17 h LYS 79 Cb 0.82 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.64 1i17 h LYS 79 CO 0.89 -0.10 0.06 1.25 -2.27 0.00 0.00 179.45 179.27 1i17 h LEU 80 N -0.16 0.01 0.14 5.20 5.85 -2.00 -1.62 115.31 122.72 1i17 h LEU 80 Ca 0.10 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1i17 h LEU 80 Cb 0.32 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1i17 h LEU 80 CO -0.26 0.04 -0.22 -0.74 -0.34 0.00 0.00 178.44 176.92 1i17 h HIS 81 N 0.16 -0.59 -0.27 1.25 2.76 -1.84 -2.60 115.15 114.03 1i17 h HIS 81 Ca 0.13 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.37 1i17 h HIS 81 Cb 0.14 0.24 -0.08 0.00 1.55 0.00 0.00 27.41 29.26 1i17 h HIS 81 CO -0.17 -0.32 -0.40 1.96 -1.30 0.00 0.00 177.93 177.70 1i17 h GLN 82 N -0.43 -0.38 -0.16 5.26 1.08 -0.95 0.92 115.11 120.47 1i17 h GLN 82 Ca 0.02 0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.29 1i17 h GLN 82 Cb 0.44 0.09 -0.07 0.00 -0.05 0.00 0.00 27.48 27.89 1i17 h GLN 82 CO -0.11 -0.25 -0.44 -0.09 -0.95 0.00 0.00 178.83 176.99 1i17 h ARG 83 N -0.39 -0.47 0.06 1.46 2.43 -1.21 0.09 114.38 116.34 1i17 h ARG 83 Ca 0.11 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1i17 h ARG 83 Cb 0.59 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1i17 h ARG 83 CO -0.48 -0.32 -0.03 0.28 -1.51 0.00 0.00 179.97 177.92 1i17 h VAL 84 N -0.49 0.96 -0.15 0.20 2.07 -1.29 -2.38 116.25 115.17 1i17 h VAL 84 Ca 0.07 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.57 1i17 h VAL 84 Cb 0.63 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 1i17 h VAL 84 CO -0.42 0.01 -0.05 0.25 0.02 0.00 0.00 177.57 177.38 1i17 h LEU 85 N -0.10 -0.18 -0.77 2.57 5.85 -0.61 -1.00 115.31 121.06 1i17 h LEU 85 Ca -0.01 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1i17 h LEU 85 Cb 0.08 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1i17 h LEU 85 CO 0.01 -0.07 0.47 -0.50 -0.34 0.00 0.00 178.44 178.01 1i17 h TRP 86 N -0.03 1.01 -0.15 1.25 4.06 -0.98 0.06 115.95 121.17 1i17 h TRP 86 Ca 0.08 -0.00 0.03 0.00 2.06 0.00 0.00 58.89 61.06 1i17 h TRP 86 Cb 0.14 -0.33 -0.03 0.00 -1.00 0.00 0.00 29.16 27.94 1i17 h TRP 86 CO -0.20 0.67 -0.06 -0.09 -3.56 0.00 0.00 178.44 175.21 1i17 h ARG 87 N 1.05 -0.04 0.08 0.49 9.65 -1.19 -0.37 114.38 124.05 1i17 h ARG 87 Ca 0.28 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 59.18 1i17 h ARG 87 Cb -0.04 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.51 1i17 h ARG 87 CO -0.05 -0.03 -0.24 1.25 2.80 0.00 0.00 179.97 183.70 1i17 h LEU 88 N -0.04 -0.69 -0.40 3.80 6.46 -0.78 -0.09 115.31 123.57 1i17 h LEU 88 Ca 0.08 0.09 0.08 0.00 -0.12 0.00 0.00 57.88 58.01 1i17 h LEU 88 Cb 0.16 0.27 -0.08 0.00 -0.73 0.00 0.00 40.66 40.28 1i17 h LEU 88 CO -0.18 -0.32 -0.17 0.40 -0.62 0.00 0.00 178.44 177.55 1i17 h ILE 89 N -0.42 0.46 -0.50 4.05 2.04 -0.93 -1.70 117.51 120.51 1i17 h ILE 89 Ca 0.04 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.93 1i17 h ILE 89 Cb 0.46 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 1i17 h ILE 89 CO -0.16 0.00 0.28 0.50 0.00 0.00 0.00 178.15 178.77 1i17 h LYS 90 N -0.10 0.54 -0.25 2.37 3.64 -0.73 0.65 116.57 122.69 1i17 h LYS 90 Ca 0.19 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.60 1i17 h LYS 90 Cb 0.40 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 1i17 h LYS 90 CO -0.46 0.36 -0.13 0.93 -2.27 0.00 0.00 179.45 177.88 1i17 h GLU 91 N 0.56 -0.09 0.21 1.90 4.39 -0.57 0.11 114.58 121.08 1i17 h GLU 91 Ca 0.21 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1i17 h GLU 91 Cb 0.06 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1i17 h GLU 91 CO -0.11 -0.06 -0.21 0.82 -1.16 0.00 0.00 179.01 178.28 1i17 h ILE 92 N -0.10 0.53 -0.72 3.13 2.04 -0.99 -1.00 117.51 120.41 1i17 h ILE 92 Ca 0.13 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.06 1i17 h ILE 92 Cb 0.30 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 36.86 1i17 h ILE 92 CO -0.31 0.00 0.41 0.00 0.00 0.00 0.00 178.15 178.25 1i17 h SER 94 N 0.75 0.79 0.07 0.00 0.02 -0.70 -3.31 113.55 111.17 1i17 h SER 94 Ca 0.32 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1i17 h SER 94 Cb 0.19 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1i17 h SER 94 CO -0.18 0.67 -0.03 0.00 -1.14 0.00 0.00 176.83 176.14 1i17 h ALA 95 N 1.16 -0.09 -2.97 3.77 0.00 -0.61 -3.44 119.26 117.08 1i17 h ALA 95 Ca 0.22 -0.09 -0.54 0.00 0.00 0.00 0.00 54.91 54.50 1i17 h ALA 95 Cb 0.06 0.03 0.12 0.00 0.00 0.00 0.00 17.79 18.00 1i17 h ALA 95 CO -0.03 -0.48 0.71 -1.59 0.00 0.00 0.00 179.25 177.86 1i17 s LYS 96 N -5.58 3.77 0.05 0.00 -2.85 -0.84 -5.05 119.74 109.24 1i17 s LYS 96 Ca -0.14 2.44 0.01 0.00 -1.00 0.00 0.00 55.97 57.28 1i17 s LYS 96 Cb 0.04 -2.72 -0.03 0.00 -2.06 0.00 0.00 37.83 33.07 1i17 s LYS 96 CO 0.65 -0.76 -0.06 -1.01 0.10 0.00 0.00 175.35 174.27 1i17 s HIS 97 N -1.19 0.60 0.42 1.78 3.76 -1.26 -4.96 115.29 114.45 1i17 s HIS 97 Ca 0.59 -0.61 -0.24 0.00 -0.15 0.00 0.00 55.06 54.65 1i17 s HIS 97 Cb -0.44 -0.37 -0.08 0.00 1.11 0.00 0.00 32.58 32.80 1i17 s HIS 97 CO 0.57 -0.14 1.19 0.00 -0.85 0.00 0.00 174.74 175.51 1i17 h ASP 99 N 2.42 0.46 -0.47 0.00 3.58 -2.01 -3.34 116.42 117.06 1i17 h ASP 99 Ca -0.49 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 56.70 1i17 h ASP 99 Cb 1.24 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.17 1i17 h ASP 99 CO 0.62 0.61 0.00 2.22 -2.88 0.00 0.00 179.24 179.80 1i17 n PHE 100 N -4.64 0.62 -1.67 0.28 1.16 -1.26 -4.99 117.46 106.95 1i17 n PHE 100 Ca -0.03 -0.31 -0.41 0.00 -1.87 0.00 0.00 57.45 54.84 1i17 n PHE 100 Cb 0.21 0.00 0.02 0.00 -1.61 0.00 0.00 39.48 38.10 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 1.12 1.79 -4.09 2.97 8.01 -1.26 -5.02 117.44 120.97 1i17 n TRP 101 Ca 0.19 0.51 -0.12 0.00 -1.31 0.00 0.00 57.50 56.77 1i17 n TRP 101 Cb 0.49 -2.32 -0.06 0.00 -2.01 0.00 0.00 31.31 27.40 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 -1.44 0.77 0.21 -0.99 2.34 -1.26 -5.13 118.68 113.18 1i17 s LEU 102 Ca 0.63 -1.22 -0.32 0.00 0.06 0.00 0.00 54.13 53.28 1i17 s LEU 102 Cb -0.52 1.25 -0.12 0.00 -0.56 0.00 0.00 46.19 46.25 1i17 s LEU 102 CO 0.57 -1.09 1.68 -1.61 -1.06 0.00 0.00 176.35 174.84 1i17 s GLU 103 N -3.82 4.14 0.29 1.48 0.41 -1.26 -4.93 118.70 115.02 1i17 s GLU 103 Ca 0.30 2.56 -0.02 0.00 -0.41 0.00 0.00 54.97 57.40 1i17 s GLU 103 Cb 0.02 -3.09 0.44 0.00 -1.78 0.00 0.00 34.13 29.72 1i17 s GLU 103 CO 0.13 -0.72 1.95 0.00 -0.49 0.00 0.00 175.26 176.13 1i17 h ARG 104 N 6.66 1.10 -1.21 1.61 2.47 -2.01 -3.34 114.38 119.68 1i17 h ARG 104 Ca -0.43 -0.07 -0.42 0.00 -1.26 0.00 0.00 59.98 57.80 1i17 h ARG 104 Cb 1.20 -0.25 -0.29 0.00 -1.65 0.00 0.00 29.97 28.98 1i17 h ARG 104 CO 0.94 0.73 -0.86 0.41 0.56 0.00 0.00 179.97 181.75 1i17 n GLY 105 N -1.40 1.69 3.77 0.04 0.00 -1.26 -5.14 105.19 102.89 1i17 n GLY 105 Ca 0.11 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.39 3.52 0.00 4.61 0.00 -1.26 -5.32 121.76 122.93 1i17 s ALA 106 Ca 0.34 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.71 1i17 s ALA 106 Cb 0.19 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1i17 s ALA 106 CO -0.17 -0.85 0.00 0.00 0.00 0.00 0.00 175.76 174.75