#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 4.32 0.35 8.89 0.11 -1.26 -4.98 120.40 127.83 1i17 s VAL 2 Ca 0.00 1.81 0.02 0.00 -2.93 0.00 0.00 61.98 60.88 1i17 s VAL 2 Cb 0.00 -4.16 0.25 0.00 -1.53 0.00 0.00 36.38 30.94 1i17 s VAL 2 CO 0.00 0.22 2.00 0.00 -3.33 0.00 0.00 175.10 173.99 1i17 h ALA 3 N 6.03 1.53 -0.06 1.54 0.00 -2.07 -2.93 119.26 123.31 1i17 h ALA 3 Ca -0.42 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.44 1i17 h ALA 3 Cb 1.21 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1i17 h ALA 3 CO 0.75 0.42 0.12 0.93 0.00 0.00 0.00 179.25 181.47 1i17 h GLU 4 N 0.83 0.00 -2.03 0.00 5.08 -2.05 -3.06 114.58 113.35 1i17 h GLU 4 Ca 0.22 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 58.09 1i17 h GLU 4 Cb -0.06 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.79 1i17 h GLU 4 CO -0.04 0.00 -1.12 -1.71 -1.00 0.00 0.00 179.01 175.13 1i17 n ASN 5 N -3.40 1.33 -4.79 1.42 5.15 -1.11 -5.05 115.26 108.81 1i17 n ASN 5 Ca -0.01 -3.10 -0.32 0.00 -0.60 0.00 0.00 54.58 50.54 1i17 n ASN 5 Cb 0.21 -0.61 0.03 0.00 -0.53 0.00 0.00 39.78 38.87 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 -2.58 3.06 0.07 1.20 1.70 -1.16 -4.80 118.95 116.43 1i17 s ARG 6 Ca 0.41 1.23 -0.36 0.00 -0.47 0.00 0.00 55.73 56.55 1i17 s ARG 6 Cb 0.34 -2.00 -0.15 0.00 -0.57 0.00 0.00 34.95 32.58 1i17 s ARG 6 CO -0.09 -1.02 1.52 -2.30 -1.08 0.00 0.00 175.30 172.33 1i17 n PRO 7 N -2.35 1.64 0.00 3.89 -0.02 -1.26 -2.05 135.00 134.84 1i17 n PRO 7 Ca 0.09 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1i17 n PRO 7 Cb 0.53 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 3.20 1.39 3.72 -1.23 0.00 0.42 -4.60 105.19 108.08 1i17 n GLY 8 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.23 3.87 0.62 4.61 0.00 -0.87 -4.33 121.76 123.43 1i17 s ALA 9 Ca 0.00 1.50 -0.19 0.00 0.00 0.00 0.00 51.96 53.27 1i17 s ALA 9 Cb 0.00 -3.66 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 1i17 s ALA 9 CO 0.00 -0.86 1.29 -0.06 0.00 0.00 0.00 175.76 176.13 1i17 s PHE 10 N 1.15 2.18 -0.19 0.00 0.08 -1.26 -0.93 117.98 119.00 1i17 s PHE 10 Ca 0.73 1.47 0.01 0.00 0.12 0.00 0.00 56.93 59.26 1i17 s PHE 10 Cb -0.47 -3.68 0.03 0.00 -0.57 0.00 0.00 43.02 38.33 1i17 s PHE 10 CO 0.32 -2.79 -0.16 0.42 -0.10 0.00 0.00 175.22 172.91 1i17 s ILE 11 N -1.41 1.92 -0.70 0.64 1.01 0.09 -4.78 121.20 117.98 1i17 s ILE 11 Ca 0.80 -1.02 0.05 0.00 0.00 0.00 0.00 60.65 60.48 1i17 s ILE 11 Cb -0.37 -1.84 0.18 0.00 0.01 0.00 0.00 42.46 40.44 1i17 s ILE 11 CO 0.40 0.36 0.52 0.29 0.00 0.00 0.00 174.94 176.51 1i17 n LYS 12 N 4.62 1.89 0.03 2.79 5.02 -1.26 -1.79 118.16 129.46 1i17 n LYS 12 Ca -0.18 -4.50 -0.13 0.00 -2.02 0.00 0.00 58.31 51.48 1i17 n LYS 12 Cb 0.48 -2.28 -0.01 0.00 -0.02 0.00 0.00 35.03 33.20 1i17 n LYS 12 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1i17 h GLN 13 N 5.28 0.53 -0.49 1.97 4.20 -1.96 -3.49 115.11 121.14 1i17 h GLN 13 Ca 0.15 -0.45 0.00 0.00 0.06 0.00 0.00 58.65 58.41 1i17 h GLN 13 Cb 0.74 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1i17 h GLN 13 CO 0.73 1.08 0.00 0.41 -0.67 0.00 0.00 178.83 180.38 1i17 n GLY 14 N 0.65 0.80 2.77 3.46 0.00 -1.26 -5.12 105.19 106.49 1i17 n GLY 14 Ca -0.06 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.16 0.82 0.15 1.61 3.52 -1.26 -5.06 118.95 116.57 1i17 s ARG 15 Ca 0.00 -0.73 -0.31 0.00 -0.13 0.00 0.00 55.73 54.56 1i17 s ARG 15 Cb 0.00 -2.14 -0.09 0.00 -1.56 0.00 0.00 34.95 31.16 1i17 s ARG 15 CO 0.00 -0.75 1.50 0.21 -0.81 0.00 0.00 175.30 175.45 1i17 s LYS 16 N 1.71 4.25 0.66 5.12 2.20 -1.26 -4.78 119.74 127.64 1i17 s LYS 16 Ca 0.02 2.26 0.06 0.00 -0.36 0.00 0.00 55.97 57.95 1i17 s LYS 16 Cb -0.17 -3.18 0.12 0.00 -1.51 0.00 0.00 37.83 33.08 1i17 s LYS 16 CO -0.14 -0.54 0.91 1.28 -0.36 0.00 0.00 175.35 176.50 1i17 n LEU 17 N 3.86 0.00 -3.73 5.43 4.77 -1.26 -5.12 117.00 120.96 1i17 n LEU 17 Ca 0.13 -2.41 -0.30 0.00 -0.03 0.00 0.00 56.01 53.40 1i17 n LEU 17 Cb 0.40 -0.53 -0.14 0.00 -2.33 0.00 0.00 43.42 40.82 1i17 n LEU 17 CO 0.60 -0.84 -0.29 -0.62 -1.33 0.00 0.00 177.39 174.92 1i17 s ASP 18 N -4.91 3.85 -0.05 -1.43 2.15 -1.26 -5.06 116.67 109.97 1i17 s ASP 18 Ca 0.65 -2.19 0.00 0.00 0.43 0.00 0.00 52.55 51.44 1i17 s ASP 18 Cb -0.05 -0.99 0.02 0.00 -0.30 0.00 0.00 42.92 41.61 1i17 s ASP 18 CO 0.42 -0.33 -0.03 -0.63 -0.17 0.00 0.00 175.17 174.43 1i17 s ILE 19 N 0.91 0.46 -1.11 4.11 1.01 -1.26 -5.09 121.20 120.23 1i17 s ILE 19 Ca 0.14 -0.05 -0.17 0.00 0.00 0.00 0.00 60.65 60.57 1i17 s ILE 19 Cb -0.21 -0.52 0.12 0.00 0.01 0.00 0.00 42.46 41.86 1i17 s ILE 19 CO -0.10 0.22 1.39 -0.62 0.00 0.00 0.00 174.94 175.83 1i17 s ASP 20 N 1.13 6.81 0.17 3.58 2.15 -1.26 -4.81 116.67 124.44 1i17 s ASP 20 Ca -0.08 -2.38 -0.13 0.00 0.43 0.00 0.00 52.55 50.40 1i17 s ASP 20 Cb -0.14 -2.46 0.06 0.00 -0.30 0.00 0.00 42.92 40.09 1i17 s ASP 20 CO -0.01 -1.03 1.74 -0.26 -0.17 0.00 0.00 175.17 175.43 1i17 h PHE 21 N 8.14 0.83 0.00 -5.34 0.04 -1.98 -3.50 116.94 115.14 1i17 h PHE 21 Ca 0.27 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.99 1i17 h PHE 21 Cb 0.94 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.84 1i17 h PHE 21 CO 1.20 0.66 0.00 0.41 -0.60 0.00 0.00 178.31 179.98 1i17 n GLY 22 N -0.87 4.40 0.40 -1.45 0.00 -1.26 -4.91 105.19 101.50 1i17 n GLY 22 Ca 0.03 -1.37 -0.08 0.00 0.00 0.00 0.00 46.02 44.60 1i17 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i17 n ALA 23 N -1.80 -0.48 -0.16 4.61 0.00 -1.26 -0.29 120.51 121.13 1i17 n ALA 23 Ca 0.00 0.88 -0.10 0.00 0.00 0.00 0.00 53.44 54.22 1i17 n ALA 23 Cb 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 19.45 19.22 1i17 n ALA 23 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1i17 h GLU 24 N 0.00 0.75 -0.58 0.00 4.81 -2.00 -2.64 114.58 114.92 1i17 h GLU 24 Ca 0.21 -0.21 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1i17 h GLU 24 Cb 0.46 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1i17 h GLU 24 CO -0.94 0.78 0.00 0.78 -0.73 0.00 0.00 179.01 178.90 1i17 h GLY 25 N 0.62 1.08 0.68 1.92 0.00 -1.61 -1.75 103.07 104.01 1i17 h GLY 25 Ca 0.14 -0.78 0.03 0.00 0.00 0.00 0.00 47.33 46.73 1i17 h GLY 25 CO 0.01 0.71 -0.00 3.43 0.00 0.00 0.00 176.54 180.69 1i17 h ASN 26 N 0.92 -0.08 -0.41 0.19 2.35 -0.62 -0.21 115.58 117.72 1i17 h ASN 26 Ca 0.17 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1i17 h ASN 26 Cb 0.53 0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.96 1i17 h ASN 26 CO 0.03 -0.01 0.27 0.03 -1.65 0.00 0.00 177.43 176.09 1i17 h ARG 27 N 0.06 0.54 0.30 0.81 3.08 -1.37 -1.19 114.38 116.61 1i17 h ARG 27 Ca 0.10 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1i17 h ARG 27 Cb 0.12 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1i17 h ARG 27 CO -0.17 0.36 -0.20 -0.92 -1.07 0.00 0.00 179.97 177.97 1i17 h TYR 28 N 0.55 -0.53 0.03 3.04 3.20 -1.09 -2.70 116.97 119.47 1i17 h TYR 28 Ca 0.15 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.04 1i17 h TYR 28 Cb -0.06 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 1i17 h TYR 28 CO -0.05 -0.31 -0.18 -0.92 -1.64 0.00 0.00 178.16 175.06 1i17 h TYR 29 N -0.50 -0.48 -1.01 -3.82 3.20 -0.97 -1.11 116.97 112.29 1i17 h TYR 29 Ca -0.03 0.01 0.23 0.00 3.14 0.00 0.00 58.73 62.09 1i17 h TYR 29 Cb 0.42 0.21 -0.10 0.00 1.54 0.00 0.00 36.73 38.79 1i17 h TYR 29 CO -0.10 -0.26 0.63 0.00 -1.64 0.00 0.00 178.16 176.78 1i17 h ALA 30 N 0.57 1.95 0.00 1.82 0.00 -1.20 0.88 119.26 123.28 1i17 h ALA 30 Ca 0.05 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1i17 h ALA 30 Cb 0.37 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1i17 h ALA 30 CO -0.15 -0.35 -0.72 0.00 0.00 0.00 0.00 179.25 178.03 1i17 h ALA 31 N 1.66 0.70 0.00 0.00 0.00 -1.20 -3.41 119.26 117.00 1i17 h ALA 31 Ca 0.59 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1i17 h ALA 31 Cb 1.22 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1i17 h ALA 31 CO -0.36 0.46 -0.00 0.09 0.00 0.00 0.00 179.25 179.44 1i17 n ASN 32 N -3.01 1.15 -0.13 0.00 3.02 -0.44 -4.88 115.26 110.96 1i17 n ASN 32 Ca -0.01 -1.58 0.27 0.00 -0.03 0.00 0.00 54.58 53.23 1i17 n ASN 32 Cb 0.69 -0.00 0.72 0.00 -0.61 0.00 0.00 39.78 40.58 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 -0.95 3.10 -0.00 -1.10 -1.52 116.97 116.50 1i17 h TYR 33 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 58.73 58.96 1i17 h TYR 33 Cb 0.71 0.00 -0.07 0.00 0.00 0.00 0.00 36.73 37.38 1i17 h TYR 33 CO 0.00 0.00 0.64 0.11 -0.00 0.00 0.00 178.16 178.91 1i17 h TRP 34 N 0.00 0.45 -0.37 0.10 5.08 -1.90 -2.13 115.95 117.18 1i17 h TRP 34 Ca 0.38 0.01 -0.15 0.00 1.08 0.00 0.00 58.89 60.22 1i17 h TRP 34 Cb 1.60 -0.14 -0.01 0.00 -3.00 0.00 0.00 29.16 27.62 1i17 h TRP 34 CO 0.00 0.09 -0.37 1.96 -1.28 0.00 0.00 178.44 178.85 1i17 h GLN 35 N 0.32 0.87 -7.19 0.12 4.20 -1.69 -3.48 115.11 108.26 1i17 h GLN 35 Ca 0.50 -0.44 -0.49 0.00 0.06 0.00 0.00 58.65 58.27 1i17 h GLN 35 Cb 1.39 0.01 0.07 0.00 0.30 0.00 0.00 27.48 29.25 1i17 h GLN 35 CO -0.17 1.09 0.38 -0.06 -0.67 0.00 0.00 178.83 179.40 1i17 s PHE 36 N -4.40 2.93 -0.13 2.96 0.40 -0.80 -5.03 117.98 113.91 1i17 s PHE 36 Ca -0.10 1.52 -0.29 0.00 -0.60 0.00 0.00 56.93 57.45 1i17 s PHE 36 Cb 0.12 -3.04 -0.02 0.00 0.51 0.00 0.00 43.02 40.58 1i17 s PHE 36 CO 0.87 -1.18 1.30 -1.25 0.70 0.00 0.00 175.22 175.65 1i17 s PRO 37 N -4.01 4.25 0.17 0.24 0.04 -1.26 -4.82 135.00 129.61 1i17 s PRO 37 Ca 0.64 1.73 0.19 0.00 0.04 0.00 0.00 61.00 63.60 1i17 s PRO 37 Cb -0.17 -3.75 -0.02 0.00 0.04 0.00 0.00 34.50 30.60 1i17 s PRO 37 CO 0.36 -0.68 1.06 0.38 0.04 0.00 0.00 177.00 178.17 1i17 h ASP 38 N 8.21 0.00 -3.90 6.66 3.04 -1.68 -3.47 116.42 125.27 1i17 h ASP 38 Ca -0.29 0.00 -0.39 0.00 -3.24 0.00 0.00 57.03 53.11 1i17 h ASP 38 Cb 1.12 0.00 -0.14 0.00 -1.04 0.00 0.00 39.33 39.27 1i17 h ASP 38 CO 0.95 0.35 -0.64 -0.83 -2.04 0.00 0.00 179.24 177.03 1i17 s GLY 39 N -4.56 1.67 -0.03 7.15 0.00 -0.74 -5.03 107.32 105.77 1i17 s GLY 39 Ca -0.00 -1.83 -0.01 0.00 0.00 0.00 0.00 44.72 42.88 1i17 s GLY 39 CO 0.78 -1.67 0.04 -0.42 0.00 0.00 0.00 173.10 171.83 1i17 s ILE 40 N -3.47 -0.05 -0.23 0.90 1.01 -1.26 -0.73 121.20 117.37 1i17 s ILE 40 Ca 0.31 0.29 -0.29 0.00 0.00 0.00 0.00 60.65 60.97 1i17 s ILE 40 Cb 0.07 -0.14 -0.01 0.00 0.01 0.00 0.00 42.46 42.39 1i17 s ILE 40 CO 0.11 0.14 1.28 -0.47 0.00 0.00 0.00 174.94 176.00 1i17 s TYR 41 N 1.55 2.76 0.01 3.97 5.04 -0.10 -4.95 117.35 125.64 1i17 s TYR 41 Ca -0.03 0.94 -0.20 0.00 -2.44 0.00 0.00 57.07 55.35 1i17 s TYR 41 Cb -0.13 -3.69 0.04 0.00 0.35 0.00 0.00 41.96 38.53 1i17 s TYR 41 CO -0.03 -1.71 0.44 -0.47 -1.34 0.00 0.00 175.55 172.44 1i17 s TYR 42 N 3.94 -0.32 -0.32 4.97 5.04 -1.26 -0.44 117.35 128.95 1i17 s TYR 42 Ca 0.56 0.41 0.00 0.00 -2.44 0.00 0.00 57.07 55.59 1i17 s TYR 42 Cb -0.19 0.23 0.10 0.00 0.35 0.00 0.00 41.96 42.45 1i17 s TYR 42 CO 0.19 -0.54 0.10 -1.21 -1.34 0.00 0.00 175.55 172.75 1i17 s GLU 43 N -1.97 0.85 -0.18 4.97 2.02 -1.26 -4.99 118.70 118.14 1i17 s GLU 43 Ca -0.08 -1.24 -0.09 0.00 0.02 0.00 0.00 54.97 53.58 1i17 s GLU 43 Cb -0.02 -2.17 -0.08 0.00 0.10 0.00 0.00 34.13 31.96 1i17 s GLU 43 CO 0.01 -0.99 -0.23 0.41 0.02 0.00 0.00 175.26 174.49 1i17 n GLY 44 N 4.69 -0.28 3.70 -1.39 0.00 -1.26 -5.03 105.19 105.61 1i17 n GLY 44 Ca -0.01 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 4.98 -0.11 -3.94 0.00 3.41 -1.26 -5.16 113.62 111.54 1i17 n SER 46 Ca 0.17 0.42 -0.08 0.00 -0.26 0.00 0.00 58.87 59.12 1i17 n SER 46 Cb 0.36 0.34 -0.08 0.00 -0.26 0.00 0.00 64.21 64.56 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 0.72 0.65 4.33 -1.05 -1.26 -5.07 118.70 115.02 1i17 s GLU 47 Ca 0.00 -0.99 0.37 0.00 -0.15 0.00 0.00 54.97 54.20 1i17 s GLU 47 Cb 0.00 0.28 2.02 0.00 -0.44 0.00 0.00 34.13 35.99 1i17 s GLU 47 CO 0.00 -0.19 2.17 0.00 0.95 0.00 0.00 175.26 178.19 1i17 h ALA 48 N 3.07 1.26 0.00 -0.84 0.00 -2.02 -1.00 119.26 119.73 1i17 h ALA 48 Ca -0.34 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1i17 h ALA 48 Cb 1.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1i17 h ALA 48 CO 0.58 -0.16 -0.19 -0.91 0.00 0.00 0.00 179.25 178.57 1i17 h ASN 49 N 0.00 0.00 -2.39 0.00 2.35 -1.98 -3.42 115.58 110.14 1i17 h ASN 49 Ca 0.01 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.20 1i17 h ASN 49 Cb 0.31 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 1i17 h ASN 49 CO -0.00 0.19 1.28 -0.69 -1.65 0.00 0.00 177.43 176.56 1i17 s VAL 50 N -4.24 3.26 0.73 2.81 1.01 -0.38 -5.01 120.40 118.58 1i17 s VAL 50 Ca -0.03 0.30 -0.06 0.00 0.00 0.00 0.00 61.98 62.19 1i17 s VAL 50 Cb 0.14 -3.26 0.09 0.00 0.00 0.00 0.00 36.38 33.34 1i17 s VAL 50 CO 0.64 -0.11 1.04 0.42 0.00 0.00 0.00 175.10 177.09 1i17 s THR 51 N 5.95 2.24 0.08 3.92 -4.23 -1.26 -4.79 115.64 117.55 1i17 s THR 51 Ca 0.86 -0.32 -0.23 0.00 -1.18 0.00 0.00 61.69 60.82 1i17 s THR 51 Cb -0.33 -2.92 -0.15 0.00 1.34 0.00 0.00 72.50 70.44 1i17 s THR 51 CO 0.35 0.00 1.71 0.50 -0.54 0.00 0.00 174.62 176.64 1i17 h LYS 52 N -0.69 -0.03 -0.50 3.99 3.64 -1.67 -1.49 116.57 119.82 1i17 h LYS 52 Ca -0.43 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.05 1i17 h LYS 52 Cb 1.29 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 33.03 1i17 h LYS 52 CO 0.53 0.01 -0.05 0.93 -2.27 0.00 0.00 179.45 178.60 1i17 h GLU 53 N -0.06 0.07 0.24 1.90 5.08 -1.94 -0.57 114.58 119.30 1i17 h GLU 53 Ca -0.00 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1i17 h GLU 53 Cb 0.05 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1i17 h GLU 53 CO 0.00 0.04 -0.40 0.52 -1.00 0.00 0.00 179.01 178.18 1i17 h MET 54 N 0.07 -0.69 0.28 2.33 2.86 -1.93 -2.60 114.93 115.25 1i17 h MET 54 Ca 0.25 0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.92 1i17 h MET 54 Cb 0.38 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1i17 h MET 54 CO -0.45 -0.46 -0.13 1.25 1.06 0.00 0.00 176.91 178.18 1i17 h LEU 55 N -0.71 -0.31 -0.26 1.22 6.46 -0.62 -0.48 115.31 120.60 1i17 h LEU 55 Ca -0.00 -0.05 0.03 0.00 -0.12 0.00 0.00 57.88 57.74 1i17 h LEU 55 Cb 0.69 0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.67 1i17 h LEU 55 CO -0.16 -0.15 0.06 0.58 -0.62 0.00 0.00 178.44 178.15 1i17 h VAL 56 N -0.45 0.90 -0.20 1.05 2.07 -1.22 0.12 116.25 118.51 1i17 h VAL 56 Ca -0.04 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1i17 h VAL 56 Cb 0.34 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1i17 h VAL 56 CO 0.06 0.03 0.13 0.74 0.02 0.00 0.00 177.57 178.56 1i17 h THR 57 N 0.17 1.05 -0.93 2.57 2.02 -1.43 -2.07 112.91 114.29 1i17 h THR 57 Ca 0.12 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 1i17 h THR 57 Cb 0.11 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 1i17 h THR 57 CO -0.14 0.05 0.57 0.28 0.37 0.00 0.00 175.52 176.65 1i17 h SER 58 N 0.27 1.10 -0.14 4.18 0.02 -0.80 -1.17 113.55 117.01 1i17 h SER 58 Ca 0.07 -0.06 0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1i17 h SER 58 Cb -0.03 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.22 1i17 h SER 58 CO -0.02 0.83 0.02 0.00 -1.14 0.00 0.00 176.83 176.52 1i17 h VAL 60 N 0.07 0.79 -0.56 0.00 2.07 -1.08 -0.17 116.25 117.37 1i17 h VAL 60 Ca 0.06 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.55 1i17 h VAL 60 Cb 0.06 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1i17 h VAL 60 CO -0.09 0.02 0.35 0.78 0.02 0.00 0.00 177.57 178.66 1i17 h ASN 61 N 0.14 0.59 -0.33 0.57 2.35 -1.01 -0.52 115.58 117.36 1i17 h ASN 61 Ca 0.16 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1i17 h ASN 61 Cb 0.20 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1i17 h ASN 61 CO -0.24 0.42 0.20 0.00 -1.65 0.00 0.00 177.43 176.16 1i17 h ALA 62 N 1.23 0.43 -0.39 -0.83 0.00 -0.56 -1.95 119.26 117.18 1i17 h ALA 62 Ca 0.22 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1i17 h ALA 62 Cb -0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1i17 h ALA 62 CO -0.08 -0.08 0.18 1.15 0.00 0.00 0.00 179.25 180.42 1i17 h THR 63 N 0.43 0.95 0.05 0.00 2.02 -0.76 0.12 112.91 115.72 1i17 h THR 63 Ca 0.12 -0.12 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1i17 h THR 63 Cb 0.01 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 66.92 1i17 h THR 63 CO -0.02 0.07 -0.43 1.56 0.37 0.00 0.00 175.52 177.06 1i17 h GLN 64 N 0.36 -0.55 -0.76 6.66 4.20 -1.01 -2.11 115.11 121.90 1i17 h GLN 64 Ca 0.17 0.04 0.09 0.00 0.06 0.00 0.00 58.65 59.01 1i17 h GLN 64 Cb 0.10 0.13 -0.07 0.00 0.30 0.00 0.00 27.48 27.94 1i17 h GLN 64 CO -0.14 -0.37 0.41 0.00 -0.67 0.00 0.00 178.83 178.07 1i17 h ALA 65 N -0.69 1.07 -0.61 3.87 0.00 -1.10 -2.51 119.26 119.29 1i17 h ALA 65 Ca 0.00 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1i17 h ALA 65 Cb 0.60 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1i17 h ALA 65 CO -0.26 0.03 -0.01 0.00 0.00 0.00 0.00 179.25 179.01 1i17 h ALA 66 N 1.43 0.83 -0.55 0.00 0.00 -0.94 -3.36 119.26 116.67 1i17 h ALA 66 Ca 0.37 -0.32 -0.41 0.00 0.00 0.00 0.00 54.91 54.55 1i17 h ALA 66 Cb 0.35 -0.22 -0.33 0.00 0.00 0.00 0.00 17.79 17.59 1i17 h ALA 66 CO -0.25 0.67 -0.75 0.09 0.00 0.00 0.00 179.25 179.01 1i17 n ASN 67 N -4.17 4.02 -0.04 0.00 3.02 -0.80 -4.87 115.26 112.43 1i17 n ASN 67 Ca 0.03 -3.72 -0.09 0.00 -0.03 0.00 0.00 54.58 50.77 1i17 n ASN 67 Cb 0.36 -0.39 -0.02 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 1.90 -0.26 -0.64 3.52 4.20 -1.62 -2.51 115.11 119.71 1i17 h GLN 68 Ca 0.26 0.02 0.11 0.00 0.06 0.00 0.00 58.65 59.10 1i17 h GLN 68 Cb 1.41 0.06 -0.08 0.00 0.30 0.00 0.00 27.48 29.16 1i17 h GLN 68 CO 0.55 -0.17 0.21 0.00 -0.67 0.00 0.00 178.83 178.75 1i17 h ALA 69 N 0.75 0.82 0.44 3.87 0.00 -1.90 -1.73 119.26 121.52 1i17 h ALA 69 Ca 0.13 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1i17 h ALA 69 Cb 0.47 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1i17 h ALA 69 CO -0.38 -0.24 -0.32 0.93 0.00 0.00 0.00 179.25 179.25 1i17 h GLU 70 N 0.36 -0.71 -0.21 0.00 4.39 -1.85 -0.38 114.58 116.18 1i17 h GLU 70 Ca 0.34 0.05 0.04 0.00 0.34 0.00 0.00 59.36 60.13 1i17 h GLU 70 Cb 0.47 0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.24 1i17 h GLU 70 CO -0.36 -0.48 -0.06 0.74 -1.16 0.00 0.00 179.01 177.69 1i17 h PHE 71 N -0.74 -0.13 0.07 4.33 0.04 -1.37 -1.75 116.94 117.39 1i17 h PHE 71 Ca -0.04 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.76 1i17 h PHE 71 Cb 0.63 0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.84 1i17 h PHE 71 CO -0.13 -0.10 -0.17 0.77 -0.60 0.00 0.00 178.31 178.08 1i17 h SER 72 N -0.01 -0.48 0.56 2.17 0.02 -1.23 -2.59 113.55 111.99 1i17 h SER 72 Ca 0.10 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.08 1i17 h SER 72 Cb 0.16 0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.90 1i17 h SER 72 CO -0.22 -0.24 -0.27 0.03 -1.14 0.00 0.00 176.83 174.99 1i17 h ARG 73 N -0.32 -0.72 0.08 3.45 3.08 -0.98 -3.36 114.38 115.60 1i17 h ARG 73 Ca 0.03 0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 1i17 h ARG 73 Cb 0.35 0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 1i17 h ARG 73 CO -0.11 -0.48 -0.08 0.93 -1.07 0.00 0.00 179.97 179.15 1i17 h GLU 74 N -0.75 -0.15 -0.66 0.04 4.39 -1.36 -3.35 114.58 112.73 1i17 h GLU 74 Ca -0.08 0.01 0.19 0.00 0.34 0.00 0.00 59.36 59.82 1i17 h GLU 74 Cb 0.58 0.04 -0.12 0.00 -0.10 0.00 0.00 28.75 29.14 1i17 h GLU 74 CO 0.13 -0.10 0.05 1.17 -1.16 0.00 0.00 179.01 179.09 1i17 n LYS 75 N -2.76 -0.05 -0.23 2.33 4.81 -0.98 -0.64 118.16 120.64 1i17 n LYS 75 Ca -0.02 0.97 0.01 0.00 -0.87 0.00 0.00 58.31 58.41 1i17 n LYS 75 Cb 0.07 -1.57 0.09 0.00 0.02 0.00 0.00 35.03 33.65 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 0.03 0.00 1.64 1.08 -1.74 -3.21 115.11 112.91 1i17 h GLN 76 Ca 0.41 -0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 57.28 1i17 h GLN 76 Cb 0.88 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 28.26 1i17 h GLN 76 CO -0.61 0.02 -2.09 -3.47 -0.95 0.00 0.00 178.83 171.74 1i17 n ASP 77 N -5.42 1.53 -3.48 1.46 2.03 -0.54 -4.76 116.55 107.37 1i17 n ASP 77 Ca 0.10 0.26 -0.37 0.00 0.52 0.00 0.00 54.79 55.30 1i17 n ASP 77 Cb 0.37 -0.63 -0.03 0.00 -0.72 0.00 0.00 41.12 40.12 1i17 n ASP 77 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1i17 n SER 78 N -3.99 4.71 0.35 1.67 7.64 0.19 -4.74 113.62 119.46 1i17 n SER 78 Ca -0.40 -2.62 -0.14 0.00 1.01 0.00 0.00 58.87 56.72 1i17 n SER 78 Cb 0.77 -1.35 -0.07 0.00 -1.01 0.00 0.00 64.21 62.55 1i17 n SER 78 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1i17 h LYS 79 N 6.41 -0.90 -0.87 1.43 1.57 -1.79 -3.27 116.57 119.16 1i17 h LYS 79 Ca 0.57 0.06 0.13 0.00 -1.87 0.00 0.00 60.65 59.55 1i17 h LYS 79 Cb 0.46 0.20 -0.09 0.00 0.08 0.00 0.00 32.23 32.89 1i17 h LYS 79 CO 1.79 -0.60 0.48 1.25 -0.57 0.00 0.00 179.45 181.80 1i17 h LEU 80 N -1.25 0.63 -0.73 2.94 5.85 -1.91 -2.80 115.31 118.04 1i17 h LEU 80 Ca -0.10 0.08 0.16 0.00 0.84 0.00 0.00 57.88 58.86 1i17 h LEU 80 Cb 0.72 -0.03 -0.13 0.00 0.37 0.00 0.00 40.66 41.59 1i17 h LEU 80 CO 0.16 0.30 -0.03 -0.74 -0.34 0.00 0.00 178.44 177.78 1i17 h HIS 81 N 0.72 -0.11 -0.25 1.25 2.76 -1.94 -2.59 115.15 114.98 1i17 h HIS 81 Ca 0.46 0.06 0.06 0.00 -2.20 0.00 0.00 60.37 58.75 1i17 h HIS 81 Cb 0.58 0.16 -0.07 0.00 1.55 0.00 0.00 27.41 29.64 1i17 h HIS 81 CO -0.07 -0.25 -0.19 1.96 -1.30 0.00 0.00 177.93 178.09 1i17 h GLN 82 N 0.08 -0.17 0.02 5.26 1.08 -1.56 0.13 115.11 119.95 1i17 h GLN 82 Ca 0.39 0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.63 1i17 h GLN 82 Cb 0.67 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 28.10 1i17 h GLN 82 CO -0.66 -0.11 -0.22 0.00 -0.95 0.00 0.00 178.83 176.88 1i17 h ARG 83 N -0.18 -0.34 0.34 1.46 2.47 -1.62 0.10 114.38 116.62 1i17 h ARG 83 Ca 0.14 0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.87 1i17 h ARG 83 Cb 0.39 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 1i17 h ARG 83 CO -0.36 -0.23 -0.17 0.28 0.56 0.00 0.00 179.97 180.05 1i17 h VAL 84 N -0.36 0.65 -0.17 2.04 2.07 -1.45 -2.49 116.25 116.53 1i17 h VAL 84 Ca 0.06 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.61 1i17 h VAL 84 Cb 0.43 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1i17 h VAL 84 CO -0.19 0.00 -0.08 0.25 0.02 0.00 0.00 177.57 177.57 1i17 h LEU 85 N -0.47 -0.26 -0.62 2.57 5.85 -0.62 -0.96 115.31 120.79 1i17 h LEU 85 Ca -0.04 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1i17 h LEU 85 Cb 0.37 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 1i17 h LEU 85 CO 0.07 -0.10 0.38 -0.50 -0.34 0.00 0.00 178.44 177.95 1i17 h TRP 86 N -0.05 0.82 -0.31 1.25 4.06 -1.00 0.26 115.95 120.98 1i17 h TRP 86 Ca 0.09 0.00 0.04 0.00 2.06 0.00 0.00 58.89 61.09 1i17 h TRP 86 Cb 0.19 -0.27 -0.04 0.00 -1.00 0.00 0.00 29.16 28.04 1i17 h TRP 86 CO -0.23 0.55 0.06 -0.09 -3.56 0.00 0.00 178.44 175.17 1i17 h ARG 87 N 0.85 0.16 0.09 0.49 9.65 -1.17 -0.46 114.38 123.99 1i17 h ARG 87 Ca 0.22 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 59.11 1i17 h ARG 87 Cb -0.04 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.48 1i17 h ARG 87 CO -0.04 0.11 -0.18 1.25 2.80 0.00 0.00 179.97 183.90 1i17 h LEU 88 N 0.16 -0.50 -0.32 3.80 6.46 -0.79 0.86 115.31 124.98 1i17 h LEU 88 Ca 0.14 0.06 0.07 0.00 -0.12 0.00 0.00 57.88 58.04 1i17 h LEU 88 Cb 0.16 0.19 -0.08 0.00 -0.73 0.00 0.00 40.66 40.20 1i17 h LEU 88 CO -0.19 -0.26 -0.23 0.40 -0.62 0.00 0.00 178.44 177.54 1i17 h ILE 89 N -0.34 0.39 -0.61 4.05 2.04 -0.83 -0.74 117.51 121.46 1i17 h ILE 89 Ca 0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.94 1i17 h ILE 89 Cb 0.37 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 1i17 h ILE 89 CO -0.11 0.00 0.33 0.11 0.00 0.00 0.00 178.15 178.49 1i17 h LYS 90 N -0.20 0.61 -0.33 2.37 1.57 -0.87 0.18 116.57 119.91 1i17 h LYS 90 Ca 0.16 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.96 1i17 h LYS 90 Cb 0.45 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.58 1i17 h LYS 90 CO -0.44 0.41 0.04 1.49 -0.57 0.00 0.00 179.45 180.38 1i17 h GLU 91 N 0.63 0.15 0.29 3.15 4.57 -0.18 0.13 114.58 123.32 1i17 h GLU 91 Ca 0.27 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.43 1i17 h GLU 91 Cb 0.14 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1i17 h GLU 91 CO -0.16 0.10 -0.21 0.82 -1.18 0.00 0.00 179.01 178.37 1i17 h ILE 92 N 0.15 0.55 -0.77 2.32 2.04 -0.87 -2.81 117.51 118.11 1i17 h ILE 92 Ca 0.16 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.10 1i17 h ILE 92 Cb 0.19 0.55 -0.07 0.00 -0.74 0.00 0.00 36.82 36.75 1i17 h ILE 92 CO -0.23 0.00 0.43 0.00 0.00 0.00 0.00 178.15 178.35 1i17 h SER 94 N 0.74 0.54 0.49 0.00 0.02 -0.67 -2.63 113.55 112.03 1i17 h SER 94 Ca 0.36 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.25 1i17 h SER 94 Cb 0.31 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1i17 h SER 94 CO -0.23 0.37 -0.30 0.00 -1.14 0.00 0.00 176.83 175.52 1i17 h ALA 95 N 1.68 1.27 -2.54 3.77 0.00 -1.18 -3.46 119.26 118.80 1i17 h ALA 95 Ca 0.23 -0.27 -0.53 0.00 0.00 0.00 0.00 54.91 54.34 1i17 h ALA 95 Cb 0.14 -0.05 0.04 0.00 0.00 0.00 0.00 17.79 17.92 1i17 h ALA 95 CO -0.06 0.38 0.96 0.15 0.00 0.00 0.00 179.25 180.67 1i17 s LYS 96 N -4.05 4.19 0.05 0.00 1.02 -0.99 -5.02 119.74 114.95 1i17 s LYS 96 Ca -0.02 2.39 0.04 0.00 0.02 0.00 0.00 55.97 58.40 1i17 s LYS 96 Cb 0.13 -3.37 -0.02 0.00 -0.52 0.00 0.00 37.83 34.05 1i17 s LYS 96 CO 0.68 -0.69 -0.13 -3.38 -0.92 0.00 0.00 175.35 170.91 1i17 s HIS 97 N 1.88 1.11 -0.09 3.18 -3.43 -1.26 -4.95 115.29 111.72 1i17 s HIS 97 Ca 0.73 -0.42 -0.01 0.00 -0.80 0.00 0.00 55.06 54.57 1i17 s HIS 97 Cb -0.43 -0.64 -0.03 0.00 -1.43 0.00 0.00 32.58 30.05 1i17 s HIS 97 CO 0.32 0.03 -0.05 0.00 -2.00 0.00 0.00 174.74 173.04 1i17 h ASP 99 N 5.54 0.97 0.63 0.00 3.58 -2.01 -2.98 116.42 122.14 1i17 h ASP 99 Ca -0.45 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 56.94 1i17 h ASP 99 Cb 1.18 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.99 1i17 h ASP 99 CO 0.55 0.74 0.00 2.22 -2.88 0.00 0.00 179.24 179.87 1i17 n PHE 100 N -4.47 0.36 -1.56 0.28 1.16 -1.26 -4.95 117.46 107.02 1i17 n PHE 100 Ca 0.08 0.14 -0.35 0.00 -1.87 0.00 0.00 57.45 55.45 1i17 n PHE 100 Cb 0.05 -0.72 0.08 0.00 -1.61 0.00 0.00 39.48 37.28 1i17 n PHE 100 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 1i17 s TRP 101 N -3.13 2.05 0.00 2.97 0.51 -1.13 -4.83 118.94 115.38 1i17 s TRP 101 Ca 0.06 1.55 0.00 0.00 -2.12 0.00 0.00 56.10 55.60 1i17 s TRP 101 Cb 0.10 -3.57 0.00 0.00 -0.81 0.00 0.00 33.47 29.18 1i17 s TRP 101 CO 0.33 -2.76 0.00 1.28 -0.51 0.00 0.00 176.95 175.29 1i17 n LEU 102 N -2.37 0.00 -0.31 2.99 4.32 -1.26 -4.78 117.00 115.58 1i17 n LEU 102 Ca 0.15 0.00 0.28 0.00 -0.02 0.00 0.00 56.01 56.41 1i17 n LEU 102 Cb 0.49 0.00 0.61 0.00 -1.62 0.00 0.00 43.42 42.90 1i17 n LEU 102 CO 0.47 0.00 1.26 1.05 -1.22 0.00 0.00 177.39 178.95 1i17 h GLU 103 N 0.00 0.22 0.00 3.23 4.11 -1.98 0.44 114.58 120.60 1i17 h GLU 103 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1i17 h GLU 103 Cb 0.00 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1i17 h GLU 103 CO 0.00 0.14 0.00 2.89 0.07 0.00 0.00 179.01 182.11 1i17 n ARG 104 N -4.45 0.08 0.07 1.06 0.00 -1.26 -4.35 116.66 107.81 1i17 n ARG 104 Ca 0.25 0.45 0.00 0.00 -0.00 0.00 0.00 57.85 58.55 1i17 n ARG 104 Cb 1.02 -1.70 0.00 0.00 -0.00 0.00 0.00 32.46 31.79 1i17 n ARG 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1i17 n GLY 105 N -0.68 -0.14 3.56 2.89 0.00 -0.13 -2.19 105.19 108.50 1i17 n GLY 105 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 1.56 0.00 4.61 0.00 -0.04 -4.51 121.76 121.38 1i17 s ALA 106 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1i17 s ALA 106 Cb 0.00 -4.50 0.00 0.00 0.00 0.00 0.00 23.12 18.62 1i17 s ALA 106 CO 0.00 -4.84 0.00 0.00 0.00 0.00 0.00 175.76 170.92