#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i17 s VAL 2 N 0.00 2.28 0.49 1.55 0.11 -1.26 -5.00 120.40 118.57 1i17 s VAL 2 Ca 0.00 0.13 -0.23 0.00 -2.93 0.00 0.00 61.98 58.95 1i17 s VAL 2 Cb 0.00 -2.61 -0.07 0.00 -1.53 0.00 0.00 36.38 32.17 1i17 s VAL 2 CO 0.00 -0.08 1.20 0.00 -3.33 0.00 0.00 175.10 172.89 1i17 n ALA 3 N -3.01 1.01 0.46 1.54 0.00 -1.26 -4.95 120.51 114.31 1i17 n ALA 3 Ca 0.13 0.17 0.12 0.00 0.00 0.00 0.00 53.44 53.86 1i17 n ALA 3 Cb 0.51 -2.24 0.22 0.00 0.00 0.00 0.00 19.45 17.94 1i17 n ALA 3 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1i17 h GLU 4 N 1.51 0.00 -2.16 0.00 4.11 -2.03 -3.37 114.58 112.63 1i17 h GLU 4 Ca -0.48 0.00 -0.57 0.00 0.07 0.00 0.00 59.36 58.38 1i17 h GLU 4 Cb 1.32 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.16 1i17 h GLU 4 CO 0.57 0.00 -0.81 -1.71 0.07 0.00 0.00 179.01 177.13 1i17 n ASN 5 N -2.40 2.91 -4.77 3.06 5.15 -1.26 -5.04 115.26 112.91 1i17 n ASN 5 Ca 0.04 -3.33 -0.39 0.00 -0.60 0.00 0.00 54.58 50.30 1i17 n ASN 5 Cb 0.47 -0.62 -0.00 0.00 -0.53 0.00 0.00 39.78 39.10 1i17 n ASN 5 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1i17 s ARG 6 N -2.63 3.84 -0.20 1.20 0.52 -1.26 -4.92 118.95 115.51 1i17 s ARG 6 Ca 0.42 2.08 -0.34 0.00 -0.52 0.00 0.00 55.73 57.37 1i17 s ARG 6 Cb 0.24 -2.63 -0.11 0.00 0.52 0.00 0.00 34.95 32.96 1i17 s ARG 6 CO -0.09 -0.57 1.99 -2.30 0.02 0.00 0.00 175.30 174.36 1i17 n PRO 7 N -0.11 1.74 0.00 3.54 -0.02 -1.26 -0.72 135.00 138.16 1i17 n PRO 7 Ca 0.05 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1i17 n PRO 7 Cb 0.45 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 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 5.14 1.77 3.75 -1.23 0.00 0.48 -4.50 105.19 110.59 1i17 n GLY 8 Ca 0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.17 3.73 0.51 4.61 0.00 0.10 -4.23 121.76 124.31 1i17 s ALA 9 Ca 0.00 1.51 -0.22 0.00 0.00 0.00 0.00 51.96 53.25 1i17 s ALA 9 Cb 0.00 -3.63 -0.06 0.00 0.00 0.00 0.00 23.12 19.43 1i17 s ALA 9 CO 0.00 -0.92 1.27 1.19 0.00 0.00 0.00 175.76 177.30 1i17 n PHE 10 N 2.34 2.02 -4.08 0.00 3.72 -1.26 -0.93 117.46 119.27 1i17 n PHE 10 Ca 0.08 0.45 -0.32 0.00 -0.05 0.00 0.00 57.45 57.62 1i17 n PHE 10 Cb 0.38 -2.33 -0.16 0.00 -0.94 0.00 0.00 39.48 36.43 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 1.95 -0.76 4.37 1.01 0.17 -4.80 121.20 121.85 1i17 s ILE 11 Ca 0.69 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 60.34 1i17 s ILE 11 Cb -0.45 -1.86 0.18 0.00 0.01 0.00 0.00 42.46 40.35 1i17 s ILE 11 CO 0.52 0.38 0.58 -0.54 0.00 0.00 0.00 174.94 175.88 1i17 s LYS 12 N 1.30 2.71 0.05 2.79 1.02 -1.26 -1.68 119.74 124.67 1i17 s LYS 12 Ca 0.02 -3.31 -0.17 0.00 0.02 0.00 0.00 55.97 52.53 1i17 s LYS 12 Cb -0.15 -3.59 -0.21 0.00 -0.52 0.00 0.00 37.83 33.36 1i17 s LYS 12 CO -0.11 -1.27 1.19 1.96 -0.92 0.00 0.00 175.35 176.19 1i17 h GLN 13 N 5.62 0.57 0.00 1.68 4.20 -1.96 -3.50 115.11 121.72 1i17 h GLN 13 Ca 0.14 -0.55 0.00 0.00 0.06 0.00 0.00 58.65 58.31 1i17 h GLN 13 Cb 0.78 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.70 1i17 h GLN 13 CO 0.76 1.17 0.00 0.41 -0.67 0.00 0.00 178.83 180.50 1i17 n GLY 14 N 0.92 0.81 2.71 3.46 0.00 -1.26 -5.13 105.19 106.70 1i17 n GLY 14 Ca -0.09 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.84 0.54 -0.08 1.61 3.52 -1.26 -5.07 118.95 116.38 1i17 s ARG 15 Ca 0.00 -0.39 -0.30 0.00 -0.13 0.00 0.00 55.73 54.91 1i17 s ARG 15 Cb 0.00 -2.04 -0.04 0.00 -1.56 0.00 0.00 34.95 31.31 1i17 s ARG 15 CO 0.00 -0.67 1.44 0.21 -0.81 0.00 0.00 175.30 175.47 1i17 s LYS 16 N 1.90 4.23 0.64 5.12 2.20 -1.26 -4.80 119.74 127.77 1i17 s LYS 16 Ca 0.00 1.94 0.04 0.00 -0.36 0.00 0.00 55.97 57.59 1i17 s LYS 16 Cb -0.17 -3.79 0.10 0.00 -1.51 0.00 0.00 37.83 32.46 1i17 s LYS 16 CO -0.10 -0.72 0.88 -0.51 -0.36 0.00 0.00 175.35 174.54 1i17 s LEU 17 N 3.39 3.07 -0.46 5.43 1.43 -1.26 -5.11 118.68 125.18 1i17 s LEU 17 Ca 0.64 -0.57 0.03 0.00 -1.03 0.00 0.00 54.13 53.19 1i17 s LEU 17 Cb -0.29 -1.88 0.13 0.00 0.03 0.00 0.00 46.19 44.18 1i17 s LEU 17 CO 0.23 -1.56 0.24 -0.62 0.23 0.00 0.00 176.35 174.87 1i17 s ASP 18 N -4.68 3.86 -0.04 2.29 2.15 -1.26 -5.07 116.67 113.92 1i17 s ASP 18 Ca 0.64 -2.69 0.01 0.00 0.43 0.00 0.00 52.55 50.93 1i17 s ASP 18 Cb -0.06 -1.20 0.02 0.00 -0.30 0.00 0.00 42.92 41.38 1i17 s ASP 18 CO 0.41 -0.26 -0.02 -0.63 -0.17 0.00 0.00 175.17 174.49 1i17 s ILE 19 N 0.23 0.36 -1.03 4.11 1.01 -1.26 -5.10 121.20 119.52 1i17 s ILE 19 Ca 0.17 -0.03 -0.16 0.00 0.00 0.00 0.00 60.65 60.63 1i17 s ILE 19 Cb -0.25 -0.42 0.16 0.00 0.01 0.00 0.00 42.46 41.96 1i17 s ILE 19 CO -0.00 0.18 1.22 -0.62 0.00 0.00 0.00 174.94 175.72 1i17 s ASP 20 N 0.91 6.83 0.18 3.58 2.15 -1.26 -4.84 116.67 124.21 1i17 s ASP 20 Ca -0.11 -2.49 -0.12 0.00 0.43 0.00 0.00 52.55 50.27 1i17 s ASP 20 Cb -0.14 -2.38 0.08 0.00 -0.30 0.00 0.00 42.92 40.18 1i17 s ASP 20 CO -0.01 -0.89 1.75 -0.26 -0.17 0.00 0.00 175.17 175.59 1i17 h PHE 21 N 8.08 0.91 0.00 -5.34 0.04 -1.98 -3.50 116.94 115.15 1i17 h PHE 21 Ca 0.22 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.93 1i17 h PHE 21 Cb 0.96 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.84 1i17 h PHE 21 CO 1.12 0.71 0.00 0.41 -0.60 0.00 0.00 178.31 179.95 1i17 n GLY 22 N -0.88 4.16 0.41 -1.45 0.00 -1.26 -4.89 105.19 101.28 1i17 n GLY 22 Ca 0.04 -1.52 -0.08 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.35 -0.44 4.61 0.00 -1.99 0.20 119.26 121.30 1i17 h ALA 23 Ca 0.00 0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1i17 h ALA 23 Cb 0.00 1.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1i17 h ALA 23 CO 0.00 -0.87 -0.03 1.49 0.00 0.00 0.00 179.25 179.84 1i17 h GLU 24 N -0.01 0.80 -0.61 0.00 4.81 -1.99 -2.56 114.58 115.01 1i17 h GLU 24 Ca 0.21 -0.27 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 1i17 h GLU 24 Cb 0.47 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1i17 h GLU 24 CO -0.95 0.88 0.00 0.78 -0.73 0.00 0.00 179.01 178.99 1i17 h GLY 25 N 0.64 1.16 0.62 1.92 0.00 -1.62 -1.37 103.07 104.41 1i17 h GLY 25 Ca 0.12 -0.85 0.04 0.00 0.00 0.00 0.00 47.33 46.64 1i17 h GLY 25 CO 0.03 0.78 -0.06 3.43 0.00 0.00 0.00 176.54 180.72 1i17 h ASN 26 N 0.98 -0.22 -0.44 0.19 2.35 -0.64 -0.21 115.58 117.59 1i17 h ASN 26 Ca 0.17 0.06 0.02 0.00 -0.55 0.00 0.00 56.30 56.00 1i17 h ASN 26 Cb 0.56 0.13 -0.03 0.00 0.05 0.00 0.00 38.32 39.02 1i17 h ASN 26 CO 0.03 -0.09 0.26 0.03 -1.65 0.00 0.00 177.43 176.01 1i17 h ARG 27 N -0.04 0.50 0.45 0.81 3.08 -1.34 -0.54 114.38 117.30 1i17 h ARG 27 Ca 0.09 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1i17 h ARG 27 Cb 0.17 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1i17 h ARG 27 CO -0.19 0.33 -0.22 -0.92 -1.07 0.00 0.00 179.97 177.91 1i17 h TYR 28 N 0.52 -0.56 -0.11 3.04 3.20 -1.01 -2.60 116.97 119.45 1i17 h TYR 28 Ca 0.18 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.07 1i17 h TYR 28 Cb 0.02 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 1i17 h TYR 28 CO -0.07 -0.35 -0.14 -0.92 -1.64 0.00 0.00 178.16 175.04 1i17 h TYR 29 N -0.61 -0.35 -0.96 -3.82 3.20 -0.98 -1.07 116.97 112.39 1i17 h TYR 29 Ca -0.06 0.02 0.21 0.00 3.14 0.00 0.00 58.73 62.04 1i17 h TYR 29 Cb 0.46 0.17 -0.08 0.00 1.54 0.00 0.00 36.73 38.82 1i17 h TYR 29 CO -0.04 -0.20 0.62 0.00 -1.64 0.00 0.00 178.16 176.89 1i17 h ALA 30 N 0.87 2.08 0.00 1.82 0.00 -1.06 0.83 119.26 123.80 1i17 h ALA 30 Ca 0.08 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1i17 h ALA 30 Cb 0.30 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1i17 h ALA 30 CO -0.21 -0.41 -0.96 0.00 0.00 0.00 0.00 179.25 177.66 1i17 h ALA 31 N 1.62 0.65 0.00 0.00 0.00 -1.18 -3.42 119.26 116.93 1i17 h ALA 31 Ca 0.52 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1i17 h ALA 31 Cb 1.17 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1i17 h ALA 31 CO -0.25 0.52 0.00 0.09 0.00 0.00 0.00 179.25 179.61 1i17 n ASN 32 N -2.93 1.32 -0.22 0.00 3.02 -0.43 -4.87 115.26 111.16 1i17 n ASN 32 Ca -0.03 -1.62 0.31 0.00 -0.03 0.00 0.00 54.58 53.21 1i17 n ASN 32 Cb 0.71 0.00 0.73 0.00 -0.61 0.00 0.00 39.78 40.61 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 -0.89 3.10 -0.00 -1.11 -0.90 116.97 117.16 1i17 h TYR 33 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 58.73 58.91 1i17 h TYR 33 Cb 0.59 0.00 -0.07 0.00 -0.00 0.00 0.00 36.73 37.25 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 0.64 -0.33 0.10 5.08 -1.89 -2.56 115.95 116.98 1i17 h TRP 34 Ca 0.47 0.02 -0.15 0.00 1.08 0.00 0.00 58.89 60.31 1i17 h TRP 34 Cb 1.98 -0.20 -0.00 0.00 -3.00 0.00 0.00 29.16 27.94 1i17 h TRP 34 CO 0.00 0.19 -0.36 1.96 -1.28 0.00 0.00 178.44 178.95 1i17 h GLN 35 N 0.50 0.83 -7.20 0.12 4.20 -1.57 -3.48 115.11 108.51 1i17 h GLN 35 Ca 0.47 -0.45 -0.50 0.00 0.06 0.00 0.00 58.65 58.22 1i17 h GLN 35 Cb 1.03 0.02 0.09 0.00 0.30 0.00 0.00 27.48 28.92 1i17 h GLN 35 CO -0.20 1.09 0.38 -0.06 -0.67 0.00 0.00 178.83 179.37 1i17 s PHE 36 N -4.34 2.73 0.10 2.96 0.40 -0.97 -5.03 117.98 113.83 1i17 s PHE 36 Ca -0.12 1.54 -0.30 0.00 -0.60 0.00 0.00 56.93 57.45 1i17 s PHE 36 Cb 0.10 -3.13 -0.06 0.00 0.51 0.00 0.00 43.02 40.44 1i17 s PHE 36 CO 0.86 -1.52 1.19 -1.25 0.70 0.00 0.00 175.22 175.20 1i17 s PRO 37 N -4.06 4.47 -0.11 0.24 0.04 -1.26 -4.81 135.00 129.51 1i17 s PRO 37 Ca 0.66 1.79 0.15 0.00 0.04 0.00 0.00 61.00 63.64 1i17 s PRO 37 Cb -0.19 -3.31 -0.24 0.00 0.04 0.00 0.00 34.50 30.80 1i17 s PRO 37 CO 0.40 -0.18 0.42 -0.40 0.04 0.00 0.00 177.00 177.28 1i17 n ASP 38 N 3.40 0.52 -4.53 6.66 5.68 -0.68 -4.96 116.55 122.64 1i17 n ASP 38 Ca 0.07 0.24 -0.25 0.00 -0.50 0.00 0.00 54.79 54.35 1i17 n ASP 38 Cb 0.46 0.37 -0.10 0.00 -1.14 0.00 0.00 41.12 40.71 1i17 n ASP 38 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1i17 s GLY 39 N -5.27 2.16 -0.05 6.12 0.00 -0.79 -5.03 107.32 104.46 1i17 s GLY 39 Ca -0.07 -2.08 -0.01 0.00 0.00 0.00 0.00 44.72 42.57 1i17 s GLY 39 CO 0.83 -2.01 0.00 -0.42 0.00 0.00 0.00 173.10 171.50 1i17 s ILE 40 N -2.67 0.29 -0.30 0.90 1.01 -1.26 -0.66 121.20 118.51 1i17 s ILE 40 Ca 0.32 0.11 -0.29 0.00 0.00 0.00 0.00 60.65 60.80 1i17 s ILE 40 Cb 0.03 -0.42 -0.01 0.00 0.01 0.00 0.00 42.46 42.07 1i17 s ILE 40 CO 0.16 0.22 1.41 -0.47 0.00 0.00 0.00 174.94 176.26 1i17 s TYR 41 N 1.60 2.47 0.02 3.97 5.04 -0.10 -4.96 117.35 125.39 1i17 s TYR 41 Ca -0.01 0.75 -0.20 0.00 -2.44 0.00 0.00 57.07 55.17 1i17 s TYR 41 Cb -0.13 -3.99 0.04 0.00 0.35 0.00 0.00 41.96 38.23 1i17 s TYR 41 CO -0.03 -2.09 0.45 -0.47 -1.34 0.00 0.00 175.55 172.06 1i17 s TYR 42 N 4.80 -0.33 -0.51 4.97 5.04 -1.26 -0.39 117.35 129.67 1i17 s TYR 42 Ca 0.61 0.40 0.07 0.00 -2.44 0.00 0.00 57.07 55.71 1i17 s TYR 42 Cb -0.18 0.24 0.34 0.00 0.35 0.00 0.00 41.96 42.71 1i17 s TYR 42 CO 0.26 -0.55 0.88 0.39 -1.34 0.00 0.00 175.55 175.19 1i17 n GLU 43 N 0.69 2.48 0.10 4.97 1.02 -1.26 -4.93 120.64 123.71 1i17 n GLU 43 Ca -0.19 -4.37 -0.05 0.00 -0.02 0.00 0.00 57.16 52.53 1i17 n GLU 43 Cb 0.59 -2.06 0.07 0.00 -0.02 0.00 0.00 31.44 30.02 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 2.99 0.13 -6.86 0.62 0.00 -1.99 -3.41 103.07 94.56 1i17 h GLY 44 Ca 0.12 -0.20 -0.61 0.00 0.00 0.00 0.00 47.33 46.64 1i17 h GLY 44 CO 0.71 0.18 2.26 0.00 0.00 0.00 0.00 176.54 179.69 1i17 h SER 46 N 7.67 -0.08 -5.02 0.00 0.87 -1.98 -3.50 113.55 111.52 1i17 h SER 46 Ca 0.43 -0.39 -0.07 0.00 -1.23 0.00 0.00 61.79 60.52 1i17 h SER 46 Cb 0.76 0.02 -0.17 0.00 -0.44 0.00 0.00 62.40 62.57 1i17 h SER 46 CO 1.68 0.58 -0.02 -1.83 -0.53 0.00 0.00 176.83 176.71 1i17 s GLU 47 N -2.36 0.98 0.57 2.24 -1.05 -1.26 -5.06 118.70 112.75 1i17 s GLU 47 Ca -0.10 -0.26 0.29 0.00 -0.15 0.00 0.00 54.97 54.75 1i17 s GLU 47 Cb -0.01 0.44 1.46 0.00 -0.44 0.00 0.00 34.13 35.59 1i17 s GLU 47 CO 0.35 -0.34 1.90 0.00 0.95 0.00 0.00 175.26 178.12 1i17 h ALA 48 N 2.92 2.44 0.00 -0.84 0.00 -1.96 -0.58 119.26 121.25 1i17 h ALA 48 Ca -0.31 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 1i17 h ALA 48 Cb 1.21 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1i17 h ALA 48 CO 0.42 -0.84 -0.29 -0.91 0.00 0.00 0.00 179.25 177.63 1i17 h ASN 49 N 0.00 0.00 -2.77 0.00 2.35 -1.97 -3.43 115.58 109.76 1i17 h ASN 49 Ca 0.29 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.50 1i17 h ASN 49 Cb 1.34 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.73 1i17 h ASN 49 CO -0.00 0.29 0.94 0.54 -1.65 0.00 0.00 177.43 177.54 1i17 s VAL 50 N -4.35 3.25 0.58 2.81 0.11 -0.23 -5.03 120.40 117.54 1i17 s VAL 50 Ca -0.03 0.69 0.01 0.00 -2.93 0.00 0.00 61.98 59.72 1i17 s VAL 50 Cb 0.15 -3.44 0.05 0.00 -1.53 0.00 0.00 36.38 31.61 1i17 s VAL 50 CO 0.71 0.00 0.81 0.42 -3.33 0.00 0.00 175.10 173.71 1i17 s THR 51 N 2.50 2.56 0.10 5.04 -4.23 -1.26 -4.93 115.64 115.42 1i17 s THR 51 Ca 0.70 -0.66 -0.24 0.00 -1.18 0.00 0.00 61.69 60.31 1i17 s THR 51 Cb -0.37 -2.90 -0.11 0.00 1.34 0.00 0.00 72.50 70.46 1i17 s THR 51 CO 0.30 0.00 1.70 0.50 -0.54 0.00 0.00 174.62 176.58 1i17 h LYS 52 N -0.03 -0.20 -0.49 3.99 3.64 -1.98 -0.12 116.57 121.38 1i17 h LYS 52 Ca -0.41 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.08 1i17 h LYS 52 Cb 1.29 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 33.06 1i17 h LYS 52 CO 0.50 -0.13 -0.14 0.93 -2.27 0.00 0.00 179.45 178.33 1i17 h GLU 53 N -0.21 -0.02 -0.14 1.90 4.39 -1.99 0.52 114.58 119.02 1i17 h GLU 53 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1i17 h GLU 53 Cb 0.23 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1i17 h GLU 53 CO -0.07 -0.02 0.09 0.52 -1.16 0.00 0.00 179.01 178.38 1i17 h MET 54 N -0.02 0.19 0.17 2.33 2.86 -1.93 -2.59 114.93 115.94 1i17 h MET 54 Ca 0.23 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1i17 h MET 54 Cb 0.38 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 1i17 h MET 54 CO -0.51 0.13 -0.11 1.25 1.06 0.00 0.00 176.91 178.73 1i17 h LEU 55 N 0.19 -0.27 -0.22 1.22 6.46 -0.11 -0.47 115.31 122.12 1i17 h LEU 55 Ca 0.05 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.85 1i17 h LEU 55 Cb -0.02 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 39.97 1i17 h LEU 55 CO -0.01 -0.17 0.07 0.58 -0.62 0.00 0.00 178.44 178.29 1i17 h VAL 56 N -0.27 0.94 -0.05 1.05 2.07 -0.99 0.14 116.25 119.15 1i17 h VAL 56 Ca -0.02 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.47 1i17 h VAL 56 Cb 0.23 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1i17 h VAL 56 CO 0.01 0.03 -0.10 0.74 0.02 0.00 0.00 177.57 178.27 1i17 h THR 57 N 0.17 0.73 -0.86 2.57 2.02 -1.42 -1.51 112.91 114.60 1i17 h THR 57 Ca 0.09 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.24 1i17 h THR 57 Cb 0.06 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 1i17 h THR 57 CO -0.10 0.00 0.42 0.28 0.37 0.00 0.00 175.52 176.49 1i17 h SER 58 N -0.15 1.12 -0.12 4.18 0.02 -0.82 -1.66 113.55 116.12 1i17 h SER 58 Ca 0.05 -0.13 0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1i17 h SER 58 Cb 0.23 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1i17 h SER 58 CO -0.14 0.94 0.01 0.00 -1.14 0.00 0.00 176.83 176.51 1i17 h VAL 60 N 0.06 0.78 -0.52 0.00 2.07 -1.09 0.37 116.25 117.91 1i17 h VAL 60 Ca 0.05 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.52 1i17 h VAL 60 Cb 0.05 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1i17 h VAL 60 CO -0.08 0.03 0.34 0.78 0.02 0.00 0.00 177.57 178.66 1i17 h ASN 61 N 0.17 0.58 -0.26 0.57 2.35 -1.05 -1.59 115.58 116.34 1i17 h ASN 61 Ca 0.18 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1i17 h ASN 61 Cb 0.23 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1i17 h ASN 61 CO -0.26 0.42 0.16 0.00 -1.65 0.00 0.00 177.43 176.09 1i17 h ALA 62 N 1.20 0.33 -0.28 -0.83 0.00 -0.48 -2.85 119.26 116.35 1i17 h ALA 62 Ca 0.19 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1i17 h ALA 62 Cb -0.06 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 1i17 h ALA 62 CO -0.05 -0.16 -0.05 1.15 0.00 0.00 0.00 179.25 180.15 1i17 h THR 63 N 0.33 0.75 -0.30 0.00 2.02 -0.76 -1.11 112.91 113.83 1i17 h THR 63 Ca 0.09 -0.01 0.04 0.00 0.77 0.00 0.00 66.41 67.30 1i17 h THR 63 Cb 0.02 0.71 -0.07 0.00 -1.74 0.00 0.00 68.15 67.08 1i17 h THR 63 CO -0.02 0.01 -0.54 1.56 0.37 0.00 0.00 175.52 176.90 1i17 h GLN 64 N 0.03 -0.44 -0.72 6.66 4.20 -1.24 -1.83 115.11 121.76 1i17 h GLN 64 Ca 0.14 0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.95 1i17 h GLN 64 Cb 0.20 0.10 -0.06 0.00 0.30 0.00 0.00 27.48 28.02 1i17 h GLN 64 CO -0.27 -0.29 0.40 0.00 -0.67 0.00 0.00 178.83 178.00 1i17 h ALA 65 N -0.18 0.98 -0.01 3.87 0.00 -1.25 -3.09 119.26 119.59 1i17 h ALA 65 Ca 0.05 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 1i17 h ALA 65 Cb 0.61 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1i17 h ALA 65 CO -0.52 0.07 -0.74 0.00 0.00 0.00 0.00 179.25 178.05 1i17 h ALA 66 N 1.38 0.75 -0.62 0.00 0.00 -0.98 -3.38 119.26 116.41 1i17 h ALA 66 Ca 0.33 -0.66 -0.44 0.00 0.00 0.00 0.00 54.91 54.14 1i17 h ALA 66 Cb 0.24 -0.10 -0.40 0.00 0.00 0.00 0.00 17.79 17.53 1i17 h ALA 66 CO -0.21 0.89 -0.88 0.09 0.00 0.00 0.00 179.25 179.14 1i17 n ASN 67 N -3.70 3.88 -0.34 0.00 3.02 -0.71 -4.86 115.26 112.56 1i17 n ASN 67 Ca -0.02 -3.30 0.13 0.00 -0.03 0.00 0.00 54.58 51.37 1i17 n ASN 67 Cb 0.72 -0.38 0.34 0.00 -0.61 0.00 0.00 39.78 39.85 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 2.22 0.71 0.09 3.52 4.20 -1.73 -3.18 115.11 120.94 1i17 h GLN 68 Ca 0.22 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.90 1i17 h GLN 68 Cb 1.45 -0.16 -0.05 0.00 0.30 0.00 0.00 27.48 29.02 1i17 h GLN 68 CO 0.57 0.47 -0.48 0.00 -0.67 0.00 0.00 178.83 178.72 1i17 h ALA 69 N 1.62 -0.87 0.00 3.87 0.00 -1.91 -2.40 119.26 119.57 1i17 h ALA 69 Ca 0.55 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 1i17 h ALA 69 Cb 0.89 0.83 -0.00 0.00 0.00 0.00 0.00 17.79 19.51 1i17 h ALA 69 CO -0.33 -1.06 -0.10 0.93 0.00 0.00 0.00 179.25 178.68 1i17 h GLU 70 N -0.69 0.00 -0.02 0.00 5.08 -1.99 -0.02 114.58 116.93 1i17 h GLU 70 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1i17 h GLU 70 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1i17 h GLU 70 CO -0.29 0.10 0.00 1.19 -1.00 0.00 0.00 179.01 179.01 1i17 n PHE 71 N -4.02 0.02 0.10 4.33 3.72 -0.95 -4.35 117.46 116.32 1i17 n PHE 71 Ca -0.02 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1i17 n PHE 71 Cb 0.19 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 1i17 n PHE 71 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1i17 n SER 72 N -0.52 0.24 0.12 4.37 2.88 -0.70 -4.75 113.62 115.26 1i17 n SER 72 Ca 0.20 0.33 -0.14 0.00 -1.33 0.00 0.00 58.87 57.94 1i17 n SER 72 Cb 0.19 0.14 -0.08 0.00 -0.75 0.00 0.00 64.21 63.71 1i17 n SER 72 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1i17 h ARG 73 N 0.00 -0.24 0.00 -1.46 2.47 -1.28 -3.30 114.38 110.56 1i17 h ARG 73 Ca 0.00 0.02 -0.15 0.00 -1.26 0.00 0.00 59.98 58.58 1i17 h ARG 73 Cb 0.04 0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.39 1i17 h ARG 73 CO 0.00 -0.08 -1.36 1.05 0.56 0.00 0.00 179.97 180.13 1i17 h GLU 74 N -0.35 0.00 -0.71 0.04 4.11 -1.78 -3.43 114.58 112.46 1i17 h GLU 74 Ca -0.03 0.00 0.12 0.00 0.07 0.00 0.00 59.36 59.53 1i17 h GLU 74 Cb 0.27 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.40 1i17 h GLU 74 CO 0.04 0.26 -0.24 1.17 0.07 0.00 0.00 179.01 180.31 1i17 n LYS 75 N -2.88 -0.13 -0.16 1.06 4.81 -1.24 -0.72 118.16 118.90 1i17 n LYS 75 Ca -0.09 1.10 -0.03 0.00 -0.87 0.00 0.00 58.31 58.42 1i17 n LYS 75 Cb 0.81 -1.64 0.06 0.00 0.02 0.00 0.00 35.03 34.29 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 0.31 0.03 1.64 7.50 -1.83 -3.12 115.11 119.65 1i17 h GLN 76 Ca 0.28 -0.02 -0.14 0.00 0.50 0.00 0.00 58.65 59.27 1i17 h GLN 76 Cb 0.46 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.90 1i17 h GLN 76 CO -0.71 0.21 -0.74 0.22 -1.50 0.00 0.00 178.83 176.30 1i17 h ASP 77 N 0.32 0.09 -0.06 1.46 3.58 -1.74 -3.41 116.42 116.66 1i17 h ASP 77 Ca 0.24 -0.79 -0.21 0.00 0.42 0.00 0.00 57.03 56.69 1i17 h ASP 77 Cb 0.27 -0.03 -0.08 0.00 1.72 0.00 0.00 39.33 41.22 1i17 h ASP 77 CO -0.26 1.31 -0.34 -0.24 -2.88 0.00 0.00 179.24 176.82 1i17 n SER 78 N -4.40 5.31 0.21 2.28 2.88 0.10 -4.74 113.62 115.26 1i17 n SER 78 Ca -0.21 -2.52 -0.15 0.00 -1.33 0.00 0.00 58.87 54.66 1i17 n SER 78 Cb 0.64 -1.41 -0.07 0.00 -0.75 0.00 0.00 64.21 62.62 1i17 n SER 78 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1i17 h LYS 79 N 2.99 -0.60 -0.73 -1.46 1.57 -1.80 -2.77 116.57 113.76 1i17 h LYS 79 Ca 0.20 0.04 0.07 0.00 -1.87 0.00 0.00 60.65 59.09 1i17 h LYS 79 Cb 1.47 0.14 -0.06 0.00 0.08 0.00 0.00 32.23 33.86 1i17 h LYS 79 CO 0.27 -0.40 0.42 1.25 -0.57 0.00 0.00 179.45 180.41 1i17 h LEU 80 N -0.63 0.62 -0.32 2.94 5.85 -1.91 -2.80 115.31 119.07 1i17 h LEU 80 Ca -0.02 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.80 1i17 h LEU 80 Cb 0.56 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.42 1i17 h LEU 80 CO -0.03 0.39 -0.17 -0.74 -0.34 0.00 0.00 178.44 177.56 1i17 h HIS 81 N 0.76 -0.42 -0.36 1.25 2.76 -1.89 -2.12 115.15 115.13 1i17 h HIS 81 Ca 0.33 0.04 0.08 0.00 -2.20 0.00 0.00 60.37 58.61 1i17 h HIS 81 Cb 0.21 0.23 -0.08 0.00 1.55 0.00 0.00 27.41 29.33 1i17 h HIS 81 CO -0.07 -0.25 -0.15 1.96 -1.30 0.00 0.00 177.93 178.13 1i17 h GLN 82 N -0.13 -0.08 0.26 5.26 1.08 -1.33 0.94 115.11 121.11 1i17 h GLN 82 Ca 0.16 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 1i17 h GLN 82 Cb 0.38 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.80 1i17 h GLN 82 CO -0.39 -0.05 -0.28 0.00 -0.95 0.00 0.00 178.83 177.16 1i17 h ARG 83 N -0.09 -0.55 -0.03 1.46 2.47 -1.32 0.13 114.38 116.45 1i17 h ARG 83 Ca 0.18 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.94 1i17 h ARG 83 Cb 0.36 0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.80 1i17 h ARG 83 CO -0.42 -0.37 0.01 0.28 0.56 0.00 0.00 179.97 180.04 1i17 h VAL 84 N -0.57 0.99 -0.21 2.04 2.07 -1.28 -2.25 116.25 117.04 1i17 h VAL 84 Ca -0.00 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.54 1i17 h VAL 84 Cb 0.53 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 1i17 h VAL 84 CO -0.07 0.01 -0.03 0.25 0.02 0.00 0.00 177.57 177.75 1i17 h LEU 85 N 0.03 -0.14 -0.52 2.57 5.85 -0.69 -0.66 115.31 121.75 1i17 h LEU 85 Ca 0.01 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1i17 h LEU 85 Cb 0.01 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1i17 h LEU 85 CO -0.01 -0.04 0.29 -0.50 -0.34 0.00 0.00 178.44 177.83 1i17 h TRP 86 N 0.03 0.72 -0.20 1.25 4.06 -0.94 0.21 115.95 121.09 1i17 h TRP 86 Ca 0.10 -0.02 0.04 0.00 2.06 0.00 0.00 58.89 61.08 1i17 h TRP 86 Cb 0.14 -0.23 -0.04 0.00 -1.00 0.00 0.00 29.16 28.03 1i17 h TRP 86 CO -0.20 0.53 -0.09 -0.09 -3.56 0.00 0.00 178.44 175.03 1i17 h ARG 87 N 0.70 -0.06 -0.14 0.49 9.65 -1.19 -1.06 114.38 122.76 1i17 h ARG 87 Ca 0.18 0.00 0.04 0.00 -1.10 0.00 0.00 59.98 59.10 1i17 h ARG 87 Cb 0.05 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.61 1i17 h ARG 87 CO -0.03 -0.04 -0.08 1.25 2.80 0.00 0.00 179.97 183.87 1i17 h LEU 88 N -0.06 -0.27 -0.35 3.80 5.85 -0.86 -0.21 115.31 123.21 1i17 h LEU 88 Ca 0.11 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.96 1i17 h LEU 88 Cb 0.22 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.32 1i17 h LEU 88 CO -0.24 -0.11 -0.16 0.40 -0.34 0.00 0.00 178.44 177.99 1i17 h ILE 89 N -0.08 0.51 -0.47 4.05 2.04 -0.80 -0.73 117.51 122.03 1i17 h ILE 89 Ca 0.08 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.97 1i17 h ILE 89 Cb 0.20 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1i17 h ILE 89 CO -0.19 0.00 0.26 0.11 0.00 0.00 0.00 178.15 178.33 1i17 h LYS 90 N -0.10 0.51 -0.25 2.37 1.57 -0.87 0.73 116.57 120.53 1i17 h LYS 90 Ca 0.18 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.98 1i17 h LYS 90 Cb 0.36 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.50 1i17 h LYS 90 CO -0.41 0.34 -0.11 0.93 -0.57 0.00 0.00 179.45 179.63 1i17 h GLU 91 N 0.53 -0.07 0.04 3.15 4.39 -0.62 0.59 114.58 122.59 1i17 h GLU 91 Ca 0.20 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.91 1i17 h GLU 91 Cb 0.05 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1i17 h GLU 91 CO -0.11 -0.04 -0.07 0.82 -1.16 0.00 0.00 179.01 178.44 1i17 h ILE 92 N -0.07 0.82 -0.85 3.13 2.04 -0.82 -0.22 117.51 121.55 1i17 h ILE 92 Ca 0.13 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.05 1i17 h ILE 92 Cb 0.27 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 37.11 1i17 h ILE 92 CO -0.30 0.00 0.53 0.00 0.00 0.00 0.00 178.15 178.38 1i17 h SER 94 N 0.97 0.54 -0.16 0.00 0.87 -0.73 -3.33 113.55 111.71 1i17 h SER 94 Ca 0.37 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1i17 h SER 94 Cb 0.15 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 1i17 h SER 94 CO -0.16 0.48 0.10 0.00 -0.53 0.00 0.00 176.83 176.72 1i17 h ALA 95 N 1.08 0.21 -2.92 6.23 0.00 -0.46 -3.43 119.26 119.97 1i17 h ALA 95 Ca 0.15 -0.02 -0.54 0.00 0.00 0.00 0.00 54.91 54.50 1i17 h ALA 95 Cb 0.06 -0.07 0.10 0.00 0.00 0.00 0.00 17.79 17.88 1i17 h ALA 95 CO -0.02 -0.29 0.76 -1.59 0.00 0.00 0.00 179.25 178.10 1i17 s LYS 96 N -6.09 4.16 0.18 0.00 -2.85 -0.93 -5.04 119.74 109.17 1i17 s LYS 96 Ca -0.13 2.51 -0.00 0.00 -1.00 0.00 0.00 55.97 57.34 1i17 s LYS 96 Cb 0.08 -2.99 -0.04 0.00 -2.06 0.00 0.00 37.83 32.81 1i17 s LYS 96 CO 0.69 -0.47 0.08 -1.01 0.10 0.00 0.00 175.35 174.73 1i17 s HIS 97 N -1.06 1.14 -0.13 1.78 3.76 -1.26 -4.97 115.29 114.55 1i17 s HIS 97 Ca 0.53 -1.23 -0.01 0.00 -0.15 0.00 0.00 55.06 54.19 1i17 s HIS 97 Cb -0.45 -0.62 -0.02 0.00 1.11 0.00 0.00 32.58 32.59 1i17 s HIS 97 CO 0.60 -0.47 -0.09 0.00 -0.85 0.00 0.00 174.74 173.93 1i17 h ASP 99 N 6.48 0.77 0.58 0.00 3.32 -2.02 -2.90 116.42 122.66 1i17 h ASP 99 Ca -0.31 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1i17 h ASP 99 Cb 1.20 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.56 1i17 h ASP 99 CO 0.57 0.57 0.00 2.22 -1.72 0.00 0.00 179.24 180.89 1i17 n PHE 100 N -4.42 0.33 -1.75 4.55 1.16 -1.26 -4.89 117.46 111.17 1i17 n PHE 100 Ca 0.07 0.13 -0.41 0.00 -1.87 0.00 0.00 57.45 55.37 1i17 n PHE 100 Cb 0.05 -0.71 0.01 0.00 -1.61 0.00 0.00 39.48 37.22 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 -1.80 2.73 -4.04 2.97 8.01 -1.10 -4.89 117.44 119.33 1i17 n TRP 101 Ca 0.03 0.46 -0.08 0.00 -1.31 0.00 0.00 57.50 56.60 1i17 n TRP 101 Cb 0.19 -2.48 -0.10 0.00 -2.01 0.00 0.00 31.31 26.91 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 -2.10 2.32 0.04 -0.99 2.34 -1.26 -5.10 118.68 113.92 1i17 s LEU 102 Ca 0.57 -0.87 -0.26 0.00 0.06 0.00 0.00 54.13 53.63 1i17 s LEU 102 Cb -0.48 0.29 -0.17 0.00 -0.56 0.00 0.00 46.19 45.26 1i17 s LEU 102 CO 0.61 -0.57 1.44 -0.08 -1.06 0.00 0.00 176.35 176.70 1i17 h GLU 103 N 3.35 -0.30 0.00 1.48 4.57 -2.02 -3.46 114.58 118.19 1i17 h GLU 103 Ca -0.34 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 1i17 h GLU 103 Cb 1.16 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1i17 h GLU 103 CO 0.61 -0.05 0.00 0.54 -1.18 0.00 0.00 179.01 178.93 1i17 n ARG 104 N -5.13 0.00 0.00 1.92 1.74 -1.26 -5.13 116.66 108.79 1i17 n ARG 104 Ca -0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 1i17 n ARG 104 Cb 0.21 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.65 1i17 n ARG 104 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i17 n GLY 105 N 1.40 -2.14 3.15 -0.13 0.00 -1.26 -5.16 105.19 101.05 1i17 n GLY 105 Ca 0.00 0.70 -0.08 0.00 0.00 0.00 0.00 46.02 46.64 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 0.00 0.38 0.00 4.61 0.00 -1.26 -5.17 121.76 120.31 1i17 s ALA 106 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1i17 s ALA 106 Cb 0.00 0.50 0.00 0.00 0.00 0.00 0.00 23.12 23.62 1i17 s ALA 106 CO 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 175.76 175.31