#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 3.14 0.73 5.15 1.01 -1.26 -5.01 120.40 124.16 1i17 s VAL 2 Ca 0.00 0.51 -0.12 0.00 0.00 0.00 0.00 61.98 62.37 1i17 s VAL 2 Cb 0.00 -3.33 0.03 0.00 0.00 0.00 0.00 36.38 33.08 1i17 s VAL 2 CO 0.00 -0.01 1.10 0.00 0.00 0.00 0.00 175.10 176.19 1i17 s ALA 3 N 2.94 2.36 0.15 5.51 0.00 -1.26 -5.02 121.76 126.43 1i17 s ALA 3 Ca 0.74 0.37 -0.31 0.00 0.00 0.00 0.00 51.96 52.76 1i17 s ALA 3 Cb -0.39 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.36 1i17 s ALA 3 CO 0.32 -1.55 1.44 -1.83 0.00 0.00 0.00 175.76 174.14 1i17 s GLU 4 N -4.60 4.29 -1.31 0.00 -1.05 -1.26 -4.94 118.70 109.84 1i17 s GLU 4 Ca 0.63 2.17 -0.12 0.00 -0.15 0.00 0.00 54.97 57.50 1i17 s GLU 4 Cb -0.18 -3.21 -0.06 0.00 -0.44 0.00 0.00 34.13 30.25 1i17 s GLU 4 CO 0.50 -0.47 2.43 -1.71 0.95 0.00 0.00 175.26 176.96 1i17 n ASN 5 N 3.73 5.70 -4.81 0.83 5.15 -1.26 -4.92 115.26 119.69 1i17 n ASN 5 Ca 0.11 -2.61 -0.33 0.00 -0.60 0.00 0.00 54.58 51.15 1i17 n ASN 5 Cb 0.41 -1.42 -0.03 0.00 -0.53 0.00 0.00 39.78 38.20 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 3.13 3.82 -0.22 1.20 1.70 -1.26 -4.94 118.95 122.37 1i17 s ARG 6 Ca 0.55 1.25 -0.39 0.00 -0.47 0.00 0.00 55.73 56.67 1i17 s ARG 6 Cb 0.15 -2.10 -0.15 0.00 -0.57 0.00 0.00 34.95 32.27 1i17 s ARG 6 CO -0.04 -0.40 1.72 -2.30 -1.08 0.00 0.00 175.30 173.21 1i17 n PRO 7 N -1.12 1.27 0.00 3.89 -0.02 -1.26 -1.33 135.00 136.42 1i17 n PRO 7 Ca 0.08 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1i17 n PRO 7 Cb 0.53 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 4.06 2.38 3.74 -1.23 0.00 0.56 -4.62 105.19 110.09 1i17 n GLY 8 Ca 0.25 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 -2.31 3.76 0.66 4.61 0.00 -0.44 -4.27 121.76 123.76 1i17 s ALA 9 Ca 0.00 1.53 -0.18 0.00 0.00 0.00 0.00 51.96 53.31 1i17 s ALA 9 Cb 0.00 -3.64 -0.00 0.00 0.00 0.00 0.00 23.12 19.47 1i17 s ALA 9 CO 0.00 -0.93 1.26 -0.06 0.00 0.00 0.00 175.76 176.03 1i17 s PHE 10 N 0.23 2.12 -0.19 0.00 0.08 -1.26 -0.81 117.98 118.15 1i17 s PHE 10 Ca 0.65 1.51 0.01 0.00 0.12 0.00 0.00 56.93 59.22 1i17 s PHE 10 Cb -0.47 -3.62 0.04 0.00 -0.57 0.00 0.00 43.02 38.40 1i17 s PHE 10 CO 0.44 -2.74 -0.12 0.42 -0.10 0.00 0.00 175.22 173.12 1i17 s ILE 11 N -1.55 1.67 -0.27 0.64 1.01 0.05 -4.75 121.20 118.00 1i17 s ILE 11 Ca 0.80 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 60.55 1i17 s ILE 11 Cb -0.35 -1.68 0.07 0.00 0.01 0.00 0.00 42.46 40.52 1i17 s ILE 11 CO 0.40 0.26 -0.03 -0.54 0.00 0.00 0.00 174.94 175.03 1i17 s LYS 12 N 1.40 1.65 0.00 2.79 1.02 -1.26 -1.66 119.74 123.68 1i17 s LYS 12 Ca 0.01 -1.28 0.00 0.00 0.02 0.00 0.00 55.97 54.72 1i17 s LYS 12 Cb -0.15 -2.74 0.00 0.00 -0.52 0.00 0.00 37.83 34.42 1i17 s LYS 12 CO -0.09 -0.70 0.44 1.04 -0.92 0.00 0.00 175.35 175.12 1i17 n GLN 13 N 4.54 -0.28 -2.96 1.68 6.02 -1.26 -5.02 117.38 120.11 1i17 n GLN 13 Ca -0.08 -0.44 -0.15 0.00 -0.01 0.00 0.00 57.00 56.31 1i17 n GLN 13 Cb 0.43 -0.94 0.04 0.00 1.02 0.00 0.00 30.24 30.78 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 0.09 -0.09 3.25 1.08 0.00 -1.26 -5.00 105.19 103.27 1i17 n GLY 14 Ca 0.00 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 -5.54 3.05 0.06 1.61 3.52 -1.26 -5.00 118.95 115.39 1i17 s ARG 15 Ca 0.28 -2.20 -0.31 0.00 -0.13 0.00 0.00 55.73 53.37 1i17 s ARG 15 Cb -0.12 -4.16 -0.08 0.00 -1.56 0.00 0.00 34.95 29.02 1i17 s ARG 15 CO 0.35 -1.25 1.69 0.21 -0.81 0.00 0.00 175.30 175.48 1i17 s LYS 16 N 0.62 4.19 0.20 5.12 2.20 -1.26 -4.82 119.74 125.98 1i17 s LYS 16 Ca 0.13 2.36 0.02 0.00 -0.36 0.00 0.00 55.97 58.11 1i17 s LYS 16 Cb -0.19 -3.69 -0.05 0.00 -1.51 0.00 0.00 37.83 32.39 1i17 s LYS 16 CO -0.04 -0.77 0.03 -0.48 -0.36 0.00 0.00 175.35 173.72 1i17 s LEU 17 N 2.96 1.99 -0.45 5.43 0.05 -1.26 -5.14 118.68 122.26 1i17 s LEU 17 Ca 0.76 -1.23 -0.15 0.00 0.05 0.00 0.00 54.13 53.55 1i17 s LEU 17 Cb -0.40 -0.05 0.05 0.00 -2.05 0.00 0.00 46.19 43.75 1i17 s LEU 17 CO 0.33 -0.61 0.36 -0.62 -0.55 0.00 0.00 176.35 175.26 1i17 s ASP 18 N -3.22 6.13 -0.03 1.48 2.15 -1.26 -5.04 116.67 116.88 1i17 s ASP 18 Ca 0.28 -1.17 0.01 0.00 0.43 0.00 0.00 52.55 52.09 1i17 s ASP 18 Cb 0.06 -2.17 0.02 0.00 -0.30 0.00 0.00 42.92 40.53 1i17 s ASP 18 CO 0.07 -0.57 -0.03 -0.63 -0.17 0.00 0.00 175.17 173.83 1i17 s ILE 19 N 1.65 0.39 -1.08 4.11 1.01 -1.26 -5.10 121.20 120.93 1i17 s ILE 19 Ca 0.04 -0.06 -0.17 0.00 0.00 0.00 0.00 60.65 60.46 1i17 s ILE 19 Cb -0.22 -0.43 0.13 0.00 0.01 0.00 0.00 42.46 41.95 1i17 s ILE 19 CO 0.08 0.18 1.34 -0.62 0.00 0.00 0.00 174.94 175.92 1i17 s ASP 20 N 0.80 6.79 0.18 3.58 2.15 -1.26 -4.83 116.67 124.09 1i17 s ASP 20 Ca -0.10 -2.36 -0.11 0.00 0.43 0.00 0.00 52.55 50.42 1i17 s ASP 20 Cb -0.13 -2.44 0.10 0.00 -0.30 0.00 0.00 42.92 40.15 1i17 s ASP 20 CO -0.00 -1.01 1.73 -0.26 -0.17 0.00 0.00 175.17 175.46 1i17 h PHE 21 N 8.21 1.01 0.00 -5.34 0.04 -1.98 -3.50 116.94 115.38 1i17 h PHE 21 Ca 0.25 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.93 1i17 h PHE 21 Cb 0.95 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.80 1i17 h PHE 21 CO 1.18 0.80 0.00 0.41 -0.60 0.00 0.00 178.31 180.11 1i17 n GLY 22 N -0.80 3.89 0.40 -1.45 0.00 -1.26 -4.87 105.19 101.10 1i17 n GLY 22 Ca 0.04 -1.70 -0.07 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.29 -0.15 4.61 0.00 -1.99 0.20 119.26 121.64 1i17 h ALA 23 Ca 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1i17 h ALA 23 Cb 0.00 1.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1i17 h ALA 23 CO 0.00 -0.83 0.05 0.93 0.00 0.00 0.00 179.25 179.41 1i17 h GLU 24 N -0.11 0.23 -0.63 0.00 5.08 -2.00 -2.84 114.58 114.32 1i17 h GLU 24 Ca 0.21 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1i17 h GLU 24 Cb 0.53 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1i17 h GLU 24 CO -0.84 0.34 0.08 0.78 -1.00 0.00 0.00 179.01 178.37 1i17 h GLY 25 N 0.08 1.13 0.72 -3.84 0.00 -1.65 -0.97 103.07 98.53 1i17 h GLY 25 Ca 0.05 -0.75 0.02 0.00 0.00 0.00 0.00 47.33 46.65 1i17 h GLY 25 CO -0.00 0.69 -0.14 3.43 0.00 0.00 0.00 176.54 180.53 1i17 h ASN 26 N 0.98 -0.39 -0.39 0.19 2.35 -0.68 -0.03 115.58 117.61 1i17 h ASN 26 Ca 0.19 0.05 0.02 0.00 -0.55 0.00 0.00 56.30 56.01 1i17 h ASN 26 Cb 0.45 0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.94 1i17 h ASN 26 CO 0.01 -0.20 0.22 0.03 -1.65 0.00 0.00 177.43 175.85 1i17 h ARG 27 N -0.25 0.44 0.41 0.81 3.08 -1.38 -0.85 114.38 116.65 1i17 h ARG 27 Ca 0.03 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1i17 h ARG 27 Cb 0.29 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 1i17 h ARG 27 CO -0.10 0.29 -0.23 -0.92 -1.07 0.00 0.00 179.97 177.94 1i17 h TYR 28 N 0.46 -0.61 -0.07 3.04 3.20 -1.00 -2.75 116.97 119.24 1i17 h TYR 28 Ca 0.16 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.05 1i17 h TYR 28 Cb 0.02 0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 1i17 h TYR 28 CO -0.08 -0.37 -0.11 -0.92 -1.64 0.00 0.00 178.16 175.05 1i17 h TYR 29 N -0.61 -0.28 -0.94 -3.82 3.20 -0.96 -0.79 116.97 112.77 1i17 h TYR 29 Ca -0.05 0.01 0.23 0.00 3.14 0.00 0.00 58.73 62.07 1i17 h TYR 29 Cb 0.49 0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.83 1i17 h TYR 29 CO -0.08 -0.17 0.63 0.00 -1.64 0.00 0.00 178.16 176.91 1i17 h ALA 30 N 0.87 2.37 0.00 1.82 0.00 -1.10 0.11 119.26 123.33 1i17 h ALA 30 Ca 0.06 0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.75 1i17 h ALA 30 Cb 0.25 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1i17 h ALA 30 CO -0.16 -0.68 -1.46 0.00 0.00 0.00 0.00 179.25 176.95 1i17 h ALA 31 N 1.59 0.68 0.00 0.00 0.00 -1.22 -3.42 119.26 116.89 1i17 h ALA 31 Ca 0.49 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1i17 h ALA 31 Cb 1.38 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1i17 h ALA 31 CO -0.16 1.30 -0.03 0.09 0.00 0.00 0.00 179.25 180.46 1i17 n ASN 32 N -3.05 1.63 -0.34 0.00 3.02 -0.33 -4.87 115.26 111.32 1i17 n ASN 32 Ca -0.11 -2.04 0.28 0.00 -0.03 0.00 0.00 54.58 52.67 1i17 n ASN 32 Cb 0.96 -0.09 0.59 0.00 -0.61 0.00 0.00 39.78 40.63 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 0.47 -1.01 3.10 -0.00 -1.06 -1.97 116.97 116.50 1i17 h TYR 33 Ca 0.00 0.02 0.26 0.00 -0.00 0.00 0.00 58.73 59.01 1i17 h TYR 33 Cb 0.73 -0.13 -0.07 0.00 -0.00 0.00 0.00 36.73 37.25 1i17 h TYR 33 CO 0.01 0.01 0.68 0.11 -0.00 0.00 0.00 178.16 178.97 1i17 h TRP 34 N 0.25 0.41 -0.38 0.10 5.08 -1.89 -2.08 115.95 117.45 1i17 h TRP 34 Ca 0.61 0.01 -0.14 0.00 1.08 0.00 0.00 58.89 60.46 1i17 h TRP 34 Cb 1.83 -0.12 -0.01 0.00 -3.00 0.00 0.00 29.16 27.86 1i17 h TRP 34 CO -0.00 0.06 -0.32 1.96 -1.28 0.00 0.00 178.44 178.86 1i17 h GLN 35 N 0.27 0.84 -7.12 0.12 4.20 -1.77 -3.47 115.11 108.18 1i17 h GLN 35 Ca 0.53 -0.40 -0.48 0.00 0.06 0.00 0.00 58.65 58.36 1i17 h GLN 35 Cb 1.59 -0.01 0.05 0.00 0.30 0.00 0.00 27.48 29.41 1i17 h GLN 35 CO -0.17 1.04 0.39 -0.06 -0.67 0.00 0.00 178.83 179.36 1i17 s PHE 36 N -4.47 2.92 -0.24 2.96 0.40 -0.78 -5.02 117.98 113.75 1i17 s PHE 36 Ca -0.10 1.55 -0.29 0.00 -0.60 0.00 0.00 56.93 57.49 1i17 s PHE 36 Cb 0.12 -3.09 -0.01 0.00 0.51 0.00 0.00 43.02 40.55 1i17 s PHE 36 CO 0.86 -1.08 1.33 -1.25 0.70 0.00 0.00 175.22 175.78 1i17 s PRO 37 N -3.53 4.01 0.11 0.24 0.04 -1.26 -4.83 135.00 129.78 1i17 s PRO 37 Ca 0.67 1.45 0.07 0.00 0.04 0.00 0.00 61.00 63.23 1i17 s PRO 37 Cb -0.18 -3.86 -0.22 0.00 0.04 0.00 0.00 34.50 30.29 1i17 s PRO 37 CO 0.27 -1.00 1.24 0.38 0.04 0.00 0.00 177.00 177.93 1i17 h ASP 38 N 9.10 0.03 -2.64 6.66 3.04 -1.72 -3.47 116.42 127.42 1i17 h ASP 38 Ca -0.27 -0.03 -0.53 0.00 -3.24 0.00 0.00 57.03 52.96 1i17 h ASP 38 Cb 1.11 -0.01 -0.14 0.00 -1.04 0.00 0.00 39.33 39.25 1i17 h ASP 38 CO 1.01 1.02 -0.64 -0.83 -2.04 0.00 0.00 179.24 177.76 1i17 s GLY 39 N -4.73 2.09 -0.04 7.15 0.00 -0.67 -5.00 107.32 106.13 1i17 s GLY 39 Ca 0.00 -2.06 -0.01 0.00 0.00 0.00 0.00 44.72 42.66 1i17 s GLY 39 CO 0.82 -1.91 0.03 -0.42 0.00 0.00 0.00 173.10 171.62 1i17 s ILE 40 N -2.99 0.06 -0.56 0.90 1.01 -1.26 -0.77 121.20 117.59 1i17 s ILE 40 Ca 0.33 0.23 -0.27 0.00 0.00 0.00 0.00 60.65 60.94 1i17 s ILE 40 Cb 0.06 -0.23 -0.01 0.00 0.01 0.00 0.00 42.46 42.30 1i17 s ILE 40 CO 0.15 0.16 1.70 -0.47 0.00 0.00 0.00 174.94 176.48 1i17 s TYR 41 N 1.55 1.89 -0.23 3.97 5.04 0.01 -4.94 117.35 124.64 1i17 s TYR 41 Ca -0.03 0.63 -0.19 0.00 -2.44 0.00 0.00 57.07 55.04 1i17 s TYR 41 Cb -0.13 -4.21 0.06 0.00 0.35 0.00 0.00 41.96 38.04 1i17 s TYR 41 CO -0.03 -2.31 0.59 -0.47 -1.34 0.00 0.00 175.55 171.99 1i17 s TYR 42 N 7.72 -0.71 -0.50 4.97 5.04 -1.26 -0.32 117.35 132.29 1i17 s TYR 42 Ca 0.63 1.65 0.05 0.00 -2.44 0.00 0.00 57.07 56.97 1i17 s TYR 42 Cb -0.13 0.29 0.20 0.00 0.35 0.00 0.00 41.96 42.67 1i17 s TYR 42 CO 0.24 -0.35 0.47 0.39 -1.34 0.00 0.00 175.55 174.96 1i17 n GLU 43 N 3.13 0.99 0.13 4.97 1.02 -1.26 -4.96 120.64 124.65 1i17 n GLU 43 Ca -0.16 -3.67 -0.02 0.00 -0.02 0.00 0.00 57.16 53.29 1i17 n GLU 43 Cb 0.56 -1.77 0.16 0.00 -0.02 0.00 0.00 31.44 30.37 1i17 n GLU 43 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1i17 h GLY 44 N 4.97 0.04 -5.42 0.62 0.00 -1.93 -3.45 103.07 97.89 1i17 h GLY 44 Ca 0.18 -0.05 -0.56 0.00 0.00 0.00 0.00 47.33 46.91 1i17 h GLY 44 CO 0.53 0.05 1.16 0.00 0.00 0.00 0.00 176.54 178.28 1i17 n SER 46 N 6.86 -0.18 -3.90 0.00 3.41 -1.26 -5.16 113.62 113.39 1i17 n SER 46 Ca 0.20 0.48 -0.09 0.00 -0.26 0.00 0.00 58.87 59.20 1i17 n SER 46 Cb 0.36 0.41 -0.09 0.00 -0.26 0.00 0.00 64.21 64.63 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 0.67 0.63 4.33 -1.05 -1.26 -5.07 118.70 114.94 1i17 s GLU 47 Ca 0.00 -0.79 0.31 0.00 -0.15 0.00 0.00 54.97 54.34 1i17 s GLU 47 Cb 0.00 0.27 1.71 0.00 -0.44 0.00 0.00 34.13 35.66 1i17 s GLU 47 CO 0.00 -0.18 2.03 0.00 0.95 0.00 0.00 175.26 178.06 1i17 h ALA 48 N 3.41 1.62 -0.18 -0.84 0.00 -2.02 -0.91 119.26 120.34 1i17 h ALA 48 Ca -0.33 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.59 1i17 h ALA 48 Cb 1.19 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1i17 h ALA 48 CO 0.52 -0.36 0.12 -0.91 0.00 0.00 0.00 179.25 178.62 1i17 h ASN 49 N 0.00 0.16 -2.65 0.00 2.35 -1.99 -3.39 115.58 110.06 1i17 h ASN 49 Ca 0.07 -0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.24 1i17 h ASN 49 Cb 0.63 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.93 1i17 h ASN 49 CO -0.00 0.11 1.28 -0.69 -1.65 0.00 0.00 177.43 176.48 1i17 s VAL 50 N -5.21 3.47 0.83 2.81 1.01 -0.35 -5.02 120.40 117.94 1i17 s VAL 50 Ca -0.06 0.47 -0.12 0.00 0.00 0.00 0.00 61.98 62.27 1i17 s VAL 50 Cb 0.17 -3.63 0.11 0.00 0.00 0.00 0.00 36.38 33.03 1i17 s VAL 50 CO 0.70 -0.40 1.20 0.42 0.00 0.00 0.00 175.10 177.01 1i17 s THR 51 N 6.89 2.03 0.09 3.92 -4.23 -1.26 -4.90 115.64 118.18 1i17 s THR 51 Ca 0.80 -0.03 -0.22 0.00 -1.18 0.00 0.00 61.69 61.05 1i17 s THR 51 Cb -0.23 -2.99 -0.14 0.00 1.34 0.00 0.00 72.50 70.48 1i17 s THR 51 CO 0.34 0.00 1.72 0.50 -0.54 0.00 0.00 174.62 176.64 1i17 h LYS 52 N -1.15 0.06 -0.55 3.99 3.64 -1.96 -1.14 116.57 119.46 1i17 h LYS 52 Ca -0.45 -0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.03 1i17 h LYS 52 Cb 1.31 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 33.03 1i17 h LYS 52 CO 0.58 0.07 0.06 0.93 -2.27 0.00 0.00 179.45 178.82 1i17 h GLU 53 N 0.03 0.17 0.20 1.90 5.08 -1.99 0.19 114.58 120.16 1i17 h GLU 53 Ca 0.02 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1i17 h GLU 53 Cb 0.02 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1i17 h GLU 53 CO -0.00 0.11 -0.31 0.52 -1.00 0.00 0.00 179.01 178.33 1i17 h MET 54 N 0.18 -0.57 0.31 2.33 2.86 -1.92 -2.62 114.93 115.50 1i17 h MET 54 Ca 0.28 0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.96 1i17 h MET 54 Cb 0.43 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 1i17 h MET 54 CO -0.42 -0.38 -0.21 1.25 1.06 0.00 0.00 176.91 178.21 1i17 h LEU 55 N -0.59 -0.54 -0.44 1.22 6.46 -0.47 -0.62 115.31 120.34 1i17 h LEU 55 Ca 0.01 0.04 0.02 0.00 -0.12 0.00 0.00 57.88 57.83 1i17 h LEU 55 Cb 0.58 0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.65 1i17 h LEU 55 CO -0.13 -0.33 0.26 0.58 -0.62 0.00 0.00 178.44 178.20 1i17 h VAL 56 N -0.51 1.04 0.04 1.05 2.07 -1.05 0.12 116.25 119.01 1i17 h VAL 56 Ca -0.03 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.33 1i17 h VAL 56 Cb 0.43 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1i17 h VAL 56 CO 0.01 0.09 -0.11 0.74 0.02 0.00 0.00 177.57 178.33 1i17 h THR 57 N 0.52 0.73 -0.90 2.57 2.02 -1.44 -1.63 112.91 114.78 1i17 h THR 57 Ca 0.18 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.36 1i17 h THR 57 Cb 0.01 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 1i17 h THR 57 CO -0.08 0.00 0.59 0.28 0.37 0.00 0.00 175.52 176.68 1i17 h SER 58 N -0.21 1.05 -0.01 4.18 0.02 -0.70 -1.09 113.55 116.79 1i17 h SER 58 Ca 0.03 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1i17 h SER 58 Cb 0.24 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1i17 h SER 58 CO -0.09 0.77 -0.02 0.00 -1.14 0.00 0.00 176.83 176.36 1i17 h VAL 60 N -0.03 0.95 -0.25 0.00 2.07 -1.06 0.60 116.25 118.53 1i17 h VAL 60 Ca 0.01 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1i17 h VAL 60 Cb 0.05 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 1i17 h VAL 60 CO -0.03 0.13 0.14 0.78 0.02 0.00 0.00 177.57 178.61 1i17 h ASN 61 N 0.69 0.31 -0.35 0.57 2.35 -0.99 -1.90 115.58 116.26 1i17 h ASN 61 Ca 0.32 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1i17 h ASN 61 Cb 0.22 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 1i17 h ASN 61 CO -0.20 0.29 0.23 0.00 -1.65 0.00 0.00 177.43 176.10 1i17 h ALA 62 N 1.03 0.45 -0.18 -0.83 0.00 -0.49 -1.79 119.26 117.46 1i17 h ALA 62 Ca 0.09 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1i17 h ALA 62 Cb 0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1i17 h ALA 62 CO -0.02 -0.09 -0.10 1.15 0.00 0.00 0.00 179.25 180.19 1i17 h THR 63 N 0.48 0.68 0.10 0.00 2.02 -0.84 0.01 112.91 115.36 1i17 h THR 63 Ca 0.13 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.32 1i17 h THR 63 Cb -0.05 0.68 -0.05 0.00 -1.74 0.00 0.00 68.15 66.99 1i17 h THR 63 CO -0.03 0.00 -0.51 1.56 0.37 0.00 0.00 175.52 176.91 1i17 h GLN 64 N -0.10 -0.70 -0.78 6.66 4.20 -1.23 -2.46 115.11 120.70 1i17 h GLN 64 Ca 0.10 0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.94 1i17 h GLN 64 Cb 0.25 0.16 -0.07 0.00 0.30 0.00 0.00 27.48 28.12 1i17 h GLN 64 CO -0.24 -0.47 0.44 0.00 -0.67 0.00 0.00 178.83 177.90 1i17 h ALA 65 N -0.45 1.09 -0.21 3.87 0.00 -1.01 -2.53 119.26 120.02 1i17 h ALA 65 Ca 0.00 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1i17 h ALA 65 Cb 0.75 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1i17 h ALA 65 CO -0.29 0.09 -0.40 0.00 0.00 0.00 0.00 179.25 178.65 1i17 h ALA 66 N 1.42 0.93 -0.79 0.00 0.00 -0.96 -3.36 119.26 116.49 1i17 h ALA 66 Ca 0.37 -0.43 -0.51 0.00 0.00 0.00 0.00 54.91 54.34 1i17 h ALA 66 Cb 0.30 -0.11 -0.43 0.00 0.00 0.00 0.00 17.79 17.56 1i17 h ALA 66 CO -0.23 0.63 -0.85 0.09 0.00 0.00 0.00 179.25 178.89 1i17 n ASN 67 N -4.03 4.46 0.11 0.00 3.02 -0.93 -4.91 115.26 112.98 1i17 n ASN 67 Ca -0.02 -3.53 -0.13 0.00 -0.03 0.00 0.00 54.58 50.88 1i17 n ASN 67 Cb 0.50 -0.37 -0.06 0.00 -0.61 0.00 0.00 39.78 39.24 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 2.28 -0.43 -0.54 3.52 4.20 -1.62 -2.83 115.11 119.69 1i17 h GLN 68 Ca 0.30 0.03 0.06 0.00 0.06 0.00 0.00 58.65 59.10 1i17 h GLN 68 Cb 1.44 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 29.27 1i17 h GLN 68 CO 0.70 -0.29 0.24 0.00 -0.67 0.00 0.00 178.83 178.81 1i17 h ALA 69 N 0.31 0.69 0.26 3.87 0.00 -1.91 -0.87 119.26 121.62 1i17 h ALA 69 Ca 0.03 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1i17 h ALA 69 Cb 0.47 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1i17 h ALA 69 CO -0.14 -0.14 -0.25 0.93 0.00 0.00 0.00 179.25 179.65 1i17 h GLU 70 N 0.45 -0.52 0.25 0.00 3.07 -1.93 -1.09 114.58 114.82 1i17 h GLU 70 Ca 0.25 0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.14 1i17 h GLU 70 Cb 0.23 0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 1i17 h GLU 70 CO -0.22 -0.35 -0.17 0.74 -1.40 0.00 0.00 179.01 177.62 1i17 h PHE 71 N -0.54 -0.43 0.09 4.33 0.04 -1.43 -2.92 116.94 116.07 1i17 h PHE 71 Ca -0.01 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.78 1i17 h PHE 71 Cb 0.50 0.16 -0.05 0.00 2.20 0.00 0.00 35.95 38.75 1i17 h PHE 71 CO -0.16 -0.26 -0.43 1.03 -0.60 0.00 0.00 178.31 177.88 1i17 h SER 72 N -0.41 -1.29 -0.23 2.17 0.87 -1.02 -1.11 113.55 112.52 1i17 h SER 72 Ca -0.02 0.15 0.03 0.00 -1.23 0.00 0.00 61.79 60.72 1i17 h SER 72 Cb 0.35 0.49 -0.03 0.00 -0.44 0.00 0.00 62.40 62.77 1i17 h SER 72 CO 0.02 -0.49 0.02 0.03 -0.53 0.00 0.00 176.83 175.88 1i17 h ARG 73 N -0.64 0.10 0.38 2.24 3.08 -1.29 -3.00 114.38 115.24 1i17 h ARG 73 Ca 0.03 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1i17 h ARG 73 Cb 0.68 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1i17 h ARG 73 CO -0.27 0.07 -0.27 1.49 -1.07 0.00 0.00 179.97 179.91 1i17 h GLU 74 N 0.11 -0.62 0.00 0.04 4.57 -1.40 -3.18 114.58 114.10 1i17 h GLU 74 Ca 0.11 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1i17 h GLU 74 Cb 0.12 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1i17 h GLU 74 CO -0.16 -0.41 0.08 -0.22 -1.18 0.00 0.00 179.01 177.11 1i17 h LYS 75 N -0.64 0.00 -0.79 1.92 3.64 -1.12 -0.67 116.57 118.91 1i17 h LYS 75 Ca -0.03 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.46 1i17 h LYS 75 Cb 0.55 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.32 1i17 h LYS 75 CO 0.01 0.00 0.52 1.96 -2.27 0.00 0.00 179.45 179.66 1i17 h GLN 76 N 0.00 0.63 0.00 1.90 1.08 -1.50 -3.38 115.11 113.84 1i17 h GLN 76 Ca 0.00 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1i17 h GLN 76 Cb 0.16 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 1i17 h GLN 76 CO 0.00 0.42 -0.70 -3.47 -0.95 0.00 0.00 178.83 174.13 1i17 n ASP 77 N -4.51 2.40 -4.76 1.46 2.03 -0.97 -5.10 116.55 107.10 1i17 n ASP 77 Ca 0.14 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 55.07 1i17 n ASP 77 Cb 0.39 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 1i17 n ASP 77 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1i17 s SER 78 N -3.88 6.04 0.00 1.67 0.15 -0.30 -5.01 113.70 112.36 1i17 s SER 78 Ca 0.00 2.51 0.00 0.00 0.70 0.00 0.00 55.95 59.16 1i17 s SER 78 Cb 0.00 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1i17 s SER 78 CO 0.00 -1.02 0.00 1.17 1.20 0.00 0.00 173.24 174.59 1i17 n LYS 79 N -0.39 0.00 -0.34 5.44 4.81 -1.26 -4.66 118.16 121.76 1i17 n LYS 79 Ca 0.07 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.54 1i17 n LYS 79 Cb 0.46 0.00 0.18 0.00 0.02 0.00 0.00 35.03 35.69 1i17 n LYS 79 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1i17 h LEU 80 N 0.00 0.90 -0.43 3.14 5.85 -2.02 -3.06 115.31 119.69 1i17 h LEU 80 Ca 0.00 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.84 1i17 h LEU 80 Cb 0.00 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 40.78 1i17 h LEU 80 CO 0.00 0.54 -0.20 -0.74 -0.34 0.00 0.00 178.44 177.71 1i17 h HIS 81 N 1.02 -0.49 -0.24 1.25 2.76 -2.00 -2.41 115.15 115.04 1i17 h HIS 81 Ca 0.43 0.05 0.06 0.00 -2.20 0.00 0.00 60.37 58.70 1i17 h HIS 81 Cb 0.27 0.28 -0.07 0.00 1.55 0.00 0.00 27.41 29.44 1i17 h HIS 81 CO -0.02 -0.28 -0.30 1.96 -1.30 0.00 0.00 177.93 177.99 1i17 h GLN 82 N -0.11 -0.30 -0.52 5.26 1.08 -1.86 0.12 115.11 118.78 1i17 h GLN 82 Ca 0.21 0.02 0.09 0.00 -1.45 0.00 0.00 58.65 57.52 1i17 h GLN 82 Cb 0.43 0.07 -0.07 0.00 -0.05 0.00 0.00 27.48 27.86 1i17 h GLN 82 CO -0.50 -0.20 0.11 -0.09 -0.95 0.00 0.00 178.83 177.20 1i17 h ARG 83 N -0.32 0.25 0.17 1.46 9.65 -1.55 -0.10 114.38 123.94 1i17 h ARG 83 Ca 0.13 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.99 1i17 h ARG 83 Cb 0.52 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.05 1i17 h ARG 83 CO -0.42 0.16 -0.08 0.28 2.80 0.00 0.00 179.97 182.71 1i17 h VAL 84 N 0.25 0.95 -0.18 0.20 2.07 -1.23 -3.05 116.25 115.26 1i17 h VAL 84 Ca 0.26 -0.72 0.05 0.00 0.82 0.00 0.00 66.70 67.11 1i17 h VAL 84 Cb 0.36 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 1i17 h VAL 84 CO -0.34 0.16 -0.13 0.25 0.02 0.00 0.00 177.57 177.54 1i17 h LEU 85 N -0.59 -0.41 -0.61 2.57 5.85 -0.51 -1.22 115.31 120.38 1i17 h LEU 85 Ca -0.02 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1i17 h LEU 85 Cb 0.44 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1i17 h LEU 85 CO 0.04 -0.17 0.38 -0.50 -0.34 0.00 0.00 178.44 177.85 1i17 h TRP 86 N -0.13 0.80 -0.34 1.25 4.06 -1.14 -0.11 115.95 120.35 1i17 h TRP 86 Ca 0.11 0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.12 1i17 h TRP 86 Cb 0.29 -0.26 -0.06 0.00 -1.00 0.00 0.00 29.16 28.13 1i17 h TRP 86 CO -0.27 0.54 -0.02 -0.09 -3.56 0.00 0.00 178.44 175.03 1i17 h ARG 87 N 0.83 0.07 -0.13 0.49 9.65 -1.37 -0.34 114.38 123.57 1i17 h ARG 87 Ca 0.22 -0.00 0.04 0.00 -1.10 0.00 0.00 59.98 59.14 1i17 h ARG 87 Cb -0.03 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.49 1i17 h ARG 87 CO -0.04 0.04 -0.11 1.25 2.80 0.00 0.00 179.97 183.91 1i17 h LEU 88 N 0.07 -0.36 -0.21 3.80 6.46 -0.76 -0.17 115.31 124.14 1i17 h LEU 88 Ca 0.16 0.07 0.06 0.00 -0.12 0.00 0.00 57.88 58.05 1i17 h LEU 88 Cb 0.23 0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 40.28 1i17 h LEU 88 CO -0.30 -0.15 -0.20 0.40 -0.62 0.00 0.00 178.44 177.57 1i17 h ILE 89 N -0.13 0.47 -0.37 4.05 2.04 -0.79 -1.08 117.51 121.70 1i17 h ILE 89 Ca 0.09 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.00 1i17 h ILE 89 Cb 0.26 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 1i17 h ILE 89 CO -0.21 0.00 0.06 0.11 0.00 0.00 0.00 178.15 178.11 1i17 h LYS 90 N -0.22 0.17 -0.34 2.37 6.56 -0.76 0.12 116.57 124.48 1i17 h LYS 90 Ca 0.13 -0.01 0.06 0.00 -1.06 0.00 0.00 60.65 59.77 1i17 h LYS 90 Cb 0.41 -0.04 -0.06 0.00 -0.57 0.00 0.00 32.23 31.97 1i17 h LYS 90 CO -0.34 0.11 -0.02 0.93 -2.06 0.00 0.00 179.45 178.07 1i17 h GLU 91 N 0.18 0.06 0.13 3.15 4.39 -0.65 0.95 114.58 122.79 1i17 h GLU 91 Ca 0.18 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.88 1i17 h GLU 91 Cb 0.21 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1i17 h GLU 91 CO -0.24 0.04 -0.16 0.82 -1.16 0.00 0.00 179.01 178.31 1i17 h ILE 92 N 0.07 0.64 -0.91 3.13 2.04 -0.92 -0.92 117.51 120.64 1i17 h ILE 92 Ca 0.16 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.08 1i17 h ILE 92 Cb 0.23 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 1i17 h ILE 92 CO -0.30 0.00 0.58 0.00 0.00 0.00 0.00 178.15 178.43 1i17 h SER 94 N 1.07 0.34 -0.97 0.00 0.87 -0.71 -3.31 113.55 110.83 1i17 h SER 94 Ca 0.39 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 1i17 h SER 94 Cb 0.12 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 61.95 1i17 h SER 94 CO -0.16 0.25 0.61 0.00 -0.53 0.00 0.00 176.83 177.00 1i17 h ALA 95 N 1.11 1.23 0.00 6.23 0.00 -0.52 -3.32 119.26 123.99 1i17 h ALA 95 Ca 0.11 -0.09 -0.28 0.00 0.00 0.00 0.00 54.91 54.64 1i17 h ALA 95 Cb -0.04 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 1i17 h ALA 95 CO -0.02 0.66 1.51 0.36 0.00 0.00 0.00 179.25 181.76 1i17 n LYS 96 N -4.37 1.84 -1.99 0.00 2.85 -1.06 -4.95 118.16 110.49 1i17 n LYS 96 Ca 0.11 -1.14 -0.39 0.00 -1.05 0.00 0.00 58.31 55.84 1i17 n LYS 96 Cb 0.04 -2.19 0.00 0.00 -0.65 0.00 0.00 35.03 32.23 1i17 n LYS 96 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 177.40 173.97 1i17 s HIS 97 N 2.56 2.68 0.24 5.58 -3.43 -1.25 -4.94 115.29 116.73 1i17 s HIS 97 Ca 0.43 1.38 -0.29 0.00 -0.80 0.00 0.00 55.06 55.78 1i17 s HIS 97 Cb 0.15 -3.71 -0.09 0.00 -1.43 0.00 0.00 32.58 27.50 1i17 s HIS 97 CO -0.02 -2.31 0.92 0.00 -2.00 0.00 0.00 174.74 171.32 1i17 h ASP 99 N 4.11 1.06 0.71 0.00 3.58 -2.02 -3.16 116.42 120.70 1i17 h ASP 99 Ca -0.45 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 56.86 1i17 h ASP 99 Cb 1.20 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.98 1i17 h ASP 99 CO 0.68 0.90 0.00 2.19 -2.88 0.00 0.00 179.24 180.13 1i17 h PHE 100 N 1.15 0.00 -3.27 0.28 -5.15 -2.00 -3.45 116.94 104.50 1i17 h PHE 100 Ca 0.28 0.00 -0.55 0.00 -0.20 0.00 0.00 57.97 57.50 1i17 h PHE 100 Cb 0.14 0.00 0.09 0.00 0.22 0.00 0.00 35.95 36.40 1i17 h PHE 100 CO 0.02 0.00 0.78 0.91 -2.00 0.00 0.00 178.31 178.02 1i17 n TRP 101 N -2.37 2.70 -4.19 6.09 8.01 -1.20 -4.87 117.44 121.62 1i17 n TRP 101 Ca 0.02 0.34 -0.11 0.00 -1.31 0.00 0.00 57.50 56.44 1i17 n TRP 101 Cb 0.22 -2.55 -0.10 0.00 -2.01 0.00 0.00 31.31 26.88 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 -0.67 2.04 -0.21 -0.99 2.34 -1.26 -5.09 118.68 114.83 1i17 s LEU 102 Ca 0.62 -1.16 -0.29 0.00 0.06 0.00 0.00 54.13 53.36 1i17 s LEU 102 Cb -0.53 0.10 -0.02 0.00 -0.56 0.00 0.00 46.19 45.18 1i17 s LEU 102 CO 0.52 -0.63 1.54 -1.61 -1.06 0.00 0.00 176.35 175.12 1i17 s GLU 103 N -3.96 3.89 0.26 1.48 2.02 -1.26 -4.99 118.70 116.14 1i17 s GLU 103 Ca 0.22 1.65 -0.13 0.00 0.02 0.00 0.00 54.97 56.73 1i17 s GLU 103 Cb 0.07 -3.98 0.00 0.00 0.10 0.00 0.00 34.13 30.31 1i17 s GLU 103 CO 0.02 -1.17 0.52 -0.98 0.02 0.00 0.00 175.26 173.67 1i17 s ARG 104 N 4.43 1.63 0.00 1.61 1.70 -1.26 -5.19 118.95 121.88 1i17 s ARG 104 Ca 0.68 -1.26 0.00 0.00 -0.47 0.00 0.00 55.73 54.68 1i17 s ARG 104 Cb -0.24 0.49 0.00 0.00 -0.57 0.00 0.00 34.95 34.63 1i17 s ARG 104 CO 0.27 -0.69 0.00 0.41 -1.08 0.00 0.00 175.30 174.21 1i17 n GLY 105 N -0.41 2.19 3.06 3.88 0.00 -1.26 -5.20 105.19 107.46 1i17 n GLY 105 Ca -0.02 -0.73 -0.08 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.00 0.21 0.00 4.61 0.00 -1.26 -5.31 121.76 119.01 1i17 s ALA 106 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1i17 s ALA 106 Cb 0.00 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.35 1i17 s ALA 106 CO 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 175.76 175.47