#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u17 s LYS 2 N 0.00 2.13 0.40 3.17 -0.14 -1.26 -4.44 119.74 119.59 1u17 s LYS 2 Ca 0.00 -0.56 -0.24 0.00 -1.36 0.00 0.00 55.97 53.81 1u17 s LYS 2 Cb 0.00 -1.69 -0.09 0.00 -1.68 0.00 0.00 37.83 34.36 1u17 s LYS 2 CO 0.00 0.07 1.02 0.00 -0.76 0.00 0.00 175.35 175.68 1u17 n THR 4 N -0.10 0.04 0.08 0.00 -1.04 -1.26 -4.92 114.28 107.08 1u17 n THR 4 Ca 0.05 -0.01 0.06 0.00 -2.04 0.00 0.00 64.05 62.11 1u17 n THR 4 Cb 0.50 -1.30 -0.09 0.00 -1.82 0.00 0.00 70.33 67.63 1u17 n THR 4 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1u17 n LYS 5 N 3.32 0.81 -0.27 -2.82 4.76 -1.26 -4.76 118.16 117.94 1u17 n LYS 5 Ca 0.18 -0.09 0.09 0.00 -2.87 0.00 0.00 58.31 55.62 1u17 n LYS 5 Cb 0.25 -1.24 0.24 0.00 -1.84 0.00 0.00 35.03 32.44 1u17 n LYS 5 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1u17 n ASN 6 N -1.80 2.86 -4.74 4.39 3.02 -1.26 -4.98 115.26 112.76 1u17 n ASN 6 Ca -0.01 -2.00 -0.42 0.00 -0.03 0.00 0.00 54.58 52.12 1u17 n ASN 6 Cb 0.28 -0.35 -0.02 0.00 -0.61 0.00 0.00 39.78 39.08 1u17 n ASN 6 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u17 n ALA 7 N 1.07 2.77 -2.64 5.41 0.00 -1.26 -4.96 120.51 120.90 1u17 n ALA 7 Ca 0.18 0.38 -0.38 0.00 0.00 0.00 0.00 53.44 53.63 1u17 n ALA 7 Cb 0.45 -2.50 -0.06 0.00 0.00 0.00 0.00 19.45 17.34 1u17 n ALA 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1u17 s LEU 8 N 0.33 4.34 0.41 0.00 1.43 -1.26 -5.04 118.68 118.89 1u17 s LEU 8 Ca 0.69 0.85 -0.23 0.00 -1.03 0.00 0.00 54.13 54.41 1u17 s LEU 8 Cb -0.49 -2.64 -0.09 0.00 0.03 0.00 0.00 46.19 43.00 1u17 s LEU 8 CO 0.40 0.12 1.04 0.00 0.23 0.00 0.00 176.35 178.14 1u17 s ALA 9 N 0.04 3.05 0.08 4.21 0.00 -1.26 -4.28 121.76 123.60 1u17 s ALA 9 Ca 0.24 0.67 -0.36 0.00 0.00 0.00 0.00 51.96 52.51 1u17 s ALA 9 Cb -0.16 -3.26 -0.16 0.00 0.00 0.00 0.00 23.12 19.55 1u17 s ALA 9 CO 0.11 -0.21 1.46 0.94 0.00 0.00 0.00 175.76 178.06 1u17 n GLN 10 N -0.24 1.50 -2.11 0.00 7.27 0.69 -4.91 117.38 119.58 1u17 n GLN 10 Ca 0.06 0.54 -0.42 0.00 0.07 0.00 0.00 57.00 57.25 1u17 n GLN 10 Cb 0.50 -2.23 -0.03 0.00 2.41 0.00 0.00 30.24 30.89 1u17 n GLN 10 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1u17 s THR 11 N 0.90 3.10 -0.85 1.69 2.01 -1.26 -2.69 115.64 118.54 1u17 s THR 11 Ca 0.84 0.80 0.00 0.00 0.31 0.00 0.00 61.69 63.64 1u17 s THR 11 Cb -0.86 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 68.13 1u17 s THR 11 CO 0.45 0.07 0.00 0.61 -0.69 0.00 0.00 174.62 175.06 1u17 n GLY 12 N 3.38 0.56 3.57 4.40 0.00 -1.26 -4.97 105.19 110.87 1u17 n GLY 12 Ca 0.11 -0.58 -0.48 0.00 0.00 0.00 0.00 46.02 45.08 1u17 n GLY 12 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1u17 n PHE 13 N -3.34 1.18 -3.65 1.61 7.35 -1.10 -4.94 117.46 114.57 1u17 n PHE 13 Ca -0.10 0.71 -0.39 0.00 -0.76 0.00 0.00 57.45 56.91 1u17 n PHE 13 Cb 0.43 -2.25 -0.10 0.00 0.35 0.00 0.00 39.48 37.91 1u17 n PHE 13 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1u17 s ASN 14 N -0.22 5.52 0.24 -2.13 3.04 -1.26 -4.97 114.94 115.16 1u17 s ASN 14 Ca 0.69 -1.92 0.06 0.00 0.04 0.00 0.00 52.86 51.73 1u17 s ASN 14 Cb -0.82 -1.94 0.26 0.00 -1.54 0.00 0.00 41.25 37.22 1u17 s ASN 14 CO 0.55 -0.62 1.56 0.07 -3.04 0.00 0.00 177.10 175.62 1u17 h LYS 15 N 8.29 0.15 -0.91 0.43 2.10 -2.00 -2.80 116.57 121.83 1u17 h LYS 15 Ca -0.18 -0.11 0.04 0.00 -2.00 0.00 0.00 60.65 58.40 1u17 h LYS 15 Cb 1.06 0.02 -0.06 0.00 -0.90 0.00 0.00 32.23 32.36 1u17 h LYS 15 CO 0.79 0.73 0.59 -0.44 -2.00 0.00 0.00 179.45 179.12 1u17 h ASP 16 N 0.11 0.96 0.33 7.07 3.45 -1.93 -0.07 116.42 126.33 1u17 h ASP 16 Ca -0.01 0.00 -0.23 0.00 0.43 0.00 0.00 57.03 57.23 1u17 h ASP 16 Cb 1.14 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 39.71 1u17 h ASP 16 CO 0.09 0.64 -0.94 0.11 -1.57 0.00 0.00 179.24 177.58 1u17 h LYS 17 N 1.11 0.42 0.03 3.56 1.79 -1.96 -3.32 116.57 118.20 1u17 h LYS 17 Ca 0.38 -0.45 -0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1u17 h LYS 17 Cb 0.06 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1u17 h LYS 17 CO -0.14 1.11 -0.02 -0.92 -1.08 0.00 0.00 179.45 178.40 1u17 h TYR 18 N 0.24 -0.04 -0.93 -1.35 3.20 -1.33 -3.33 116.97 113.43 1u17 h TYR 18 Ca -0.08 -0.00 -0.64 0.00 3.14 0.00 0.00 58.73 61.15 1u17 h TYR 18 Cb 1.57 0.01 -0.12 0.00 1.54 0.00 0.00 36.73 39.74 1u17 h TYR 18 CO 0.06 0.48 1.90 1.19 -1.64 0.00 0.00 178.16 180.14 1u17 n PHE 19 N -4.86 2.16 0.36 -3.82 3.72 -0.06 -4.62 117.46 110.35 1u17 n PHE 19 Ca -0.09 -2.55 0.12 0.00 -0.05 0.00 0.00 57.45 54.88 1u17 n PHE 19 Cb 0.27 -1.78 0.24 0.00 -0.94 0.00 0.00 39.48 37.27 1u17 n PHE 19 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1u17 n ASN 20 N 1.77 3.32 0.00 4.37 6.94 -1.14 -4.32 115.26 126.20 1u17 n ASN 20 Ca 0.60 -1.97 0.00 0.00 -0.02 0.00 0.00 54.58 53.19 1u17 n ASN 20 Cb 0.36 -0.25 0.00 0.00 -2.36 0.00 0.00 39.78 37.53 1u17 n ASN 20 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1u17 n GLY 21 N 1.48 1.36 3.96 4.83 0.00 -0.00 -4.94 105.19 111.88 1u17 n GLY 21 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 1u17 n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u17 s ASP 22 N -2.99 4.79 0.10 1.61 1.01 -1.26 -4.68 116.67 115.25 1u17 s ASP 22 Ca 0.00 0.13 -0.21 0.00 0.71 0.00 0.00 52.55 53.18 1u17 s ASP 22 Cb 0.00 -0.78 -0.07 0.00 1.01 0.00 0.00 42.92 43.08 1u17 s ASP 22 CO 0.00 -1.56 0.63 -0.69 0.21 0.00 0.00 175.17 173.76 1u17 s VAL 23 N -3.10 4.63 -0.14 -1.27 1.01 -1.26 -3.76 120.40 116.51 1u17 s VAL 23 Ca 0.61 1.35 -0.01 0.00 0.00 0.00 0.00 61.98 63.93 1u17 s VAL 23 Cb -0.09 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 1u17 s VAL 23 CO 0.43 0.53 -0.11 0.26 0.00 0.00 0.00 175.10 176.21 1u17 s TRP 24 N -1.14 2.86 -0.07 5.22 0.52 0.66 -4.63 118.94 122.37 1u17 s TRP 24 Ca 0.31 -0.60 -0.05 0.00 0.02 0.00 0.00 56.10 55.79 1u17 s TRP 24 Cb -0.20 -1.88 -0.04 0.00 -1.15 0.00 0.00 33.47 30.19 1u17 s TRP 24 CO 0.21 -0.20 0.15 0.71 0.02 0.00 0.00 176.95 177.84 1u17 s TYR 25 N 0.42 3.55 -0.43 -1.98 2.02 -0.44 -0.61 117.35 119.88 1u17 s TYR 25 Ca -0.08 0.43 -0.28 0.00 -0.37 0.00 0.00 57.07 56.77 1u17 s TYR 25 Cb -0.15 -1.88 0.02 0.00 -0.40 0.00 0.00 41.96 39.55 1u17 s TYR 25 CO 0.04 0.68 1.04 0.08 -1.57 0.00 0.00 175.55 175.83 1u17 s VAL 26 N -1.15 4.38 -0.08 0.71 1.01 -0.63 -1.01 120.40 123.62 1u17 s VAL 26 Ca 0.20 1.18 0.14 0.00 0.00 0.00 0.00 61.98 63.50 1u17 s VAL 26 Cb -0.12 -4.49 -0.23 0.00 0.00 0.00 0.00 36.38 31.54 1u17 s VAL 26 CO 0.10 -0.81 0.55 0.35 0.00 0.00 0.00 175.10 175.29 1u17 n THR 27 N 6.45 1.50 -3.73 3.92 -2.24 -0.19 -4.66 114.28 115.32 1u17 n THR 27 Ca 0.10 -0.80 -0.13 0.00 -2.27 0.00 0.00 64.05 60.95 1u17 n THR 27 Cb 0.48 -0.87 -0.09 0.00 -2.10 0.00 0.00 70.33 67.75 1u17 n THR 27 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1u17 s ASP 28 N -5.91 -0.38 0.06 3.42 1.11 -1.19 -0.69 116.67 113.09 1u17 s ASP 28 Ca -0.06 0.64 -0.10 0.00 0.18 0.00 0.00 52.55 53.22 1u17 s ASP 28 Cb 0.08 0.69 0.00 0.00 1.07 0.00 0.00 42.92 44.76 1u17 s ASP 28 CO 0.83 -0.24 0.20 -0.72 1.18 0.00 0.00 175.17 176.42 1u17 s TYR 29 N -0.24 0.08 -0.28 4.23 1.13 -0.13 0.07 117.35 122.21 1u17 s TYR 29 Ca -0.04 -0.39 0.01 0.00 -1.41 0.00 0.00 57.07 55.24 1u17 s TYR 29 Cb -0.03 -0.03 0.08 0.00 -1.10 0.00 0.00 41.96 40.88 1u17 s TYR 29 CO 0.02 -0.49 0.04 -1.17 -2.51 0.00 0.00 175.55 171.44 1u17 s LEU 30 N -2.44 2.79 -0.31 -3.49 2.96 0.31 -0.07 118.68 118.42 1u17 s LEU 30 Ca -0.00 -1.54 -0.15 0.00 -0.22 0.00 0.00 54.13 52.21 1u17 s LEU 30 Cb 0.02 -1.10 -0.02 0.00 0.50 0.00 0.00 46.19 45.58 1u17 s LEU 30 CO -0.07 -0.35 0.37 -0.62 -1.32 0.00 0.00 176.35 174.36 1u17 s ASP 31 N 1.42 6.21 0.00 3.68 -1.08 -1.26 -1.12 116.67 124.52 1u17 s ASP 31 Ca 0.04 0.00 0.26 0.00 -0.52 0.00 0.00 52.55 52.33 1u17 s ASP 31 Cb -0.18 -2.20 0.64 0.00 -1.46 0.00 0.00 42.92 39.71 1u17 s ASP 31 CO -0.14 -0.27 1.50 0.18 0.52 0.00 0.00 175.17 176.96 1u17 n LEU 32 N 5.37 0.48 -3.19 -1.34 4.32 -0.04 -4.12 117.00 118.48 1u17 n LEU 32 Ca -0.09 0.04 -0.24 0.00 -0.02 0.00 0.00 56.01 55.70 1u17 n LEU 32 Cb 0.50 -0.27 -0.06 0.00 -1.62 0.00 0.00 43.42 41.98 1u17 n LEU 32 CO 0.39 0.11 -0.06 1.21 -1.22 0.00 0.00 177.39 177.83 1u17 n GLU 33 N -1.42 1.96 -2.13 3.23 2.13 -1.25 -4.96 120.64 118.20 1u17 n GLU 33 Ca 0.06 -4.11 -0.38 0.00 0.66 0.00 0.00 57.16 53.40 1u17 n GLU 33 Cb 0.33 -1.89 0.00 0.00 0.27 0.00 0.00 31.44 30.16 1u17 n GLU 33 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1u17 s PRO 34 N -2.42 3.69 1.02 5.31 0.04 -1.26 -4.84 135.00 136.55 1u17 s PRO 34 Ca 0.41 1.94 -0.12 0.00 0.04 0.00 0.00 61.00 63.27 1u17 s PRO 34 Cb 0.23 -2.46 0.17 0.00 0.04 0.00 0.00 34.50 32.48 1u17 s PRO 34 CO -0.08 -0.65 0.89 -0.25 0.04 0.00 0.00 177.00 176.95 1u17 n ASP 35 N -0.44 -0.92 0.15 6.66 8.00 -1.26 -4.92 116.55 123.82 1u17 n ASP 35 Ca 0.07 0.18 0.02 0.00 0.71 0.00 0.00 54.79 55.76 1u17 n ASP 35 Cb 0.46 -1.32 0.16 0.00 -0.02 0.00 0.00 41.12 40.40 1u17 n ASP 35 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1u17 h ASP 36 N -2.12 0.00 -3.31 -2.24 3.32 -2.05 -3.44 116.42 106.59 1u17 h ASP 36 Ca -0.50 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 55.96 1u17 h ASP 36 Cb 1.30 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.76 1u17 h ASP 36 CO 0.42 0.55 0.42 -0.69 -1.72 0.00 0.00 179.24 178.22 1u17 s VAL 37 N -3.31 4.86 0.05 -1.35 1.01 -1.26 -4.98 120.40 115.42 1u17 s VAL 37 Ca 0.01 1.53 -0.32 0.00 0.00 0.00 0.00 61.98 63.20 1u17 s VAL 37 Cb 0.10 -4.10 -0.10 0.00 0.00 0.00 0.00 36.38 32.28 1u17 s VAL 37 CO 0.74 -0.04 1.89 -2.65 0.00 0.00 0.00 175.10 175.03 1u17 n PRO 38 N 5.82 2.66 -3.99 2.72 -0.02 -1.26 -4.96 135.00 135.98 1u17 n PRO 38 Ca 0.05 0.97 -0.19 0.00 -2.02 0.00 0.00 63.50 62.31 1u17 n PRO 38 Cb 0.48 -2.87 -0.16 0.00 -0.02 0.00 0.00 33.50 30.92 1u17 n PRO 38 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1u17 s LYS 39 N 3.57 0.53 -0.38 -0.52 1.02 -1.26 -5.11 119.74 117.58 1u17 s LYS 39 Ca 0.87 0.02 0.01 0.00 0.02 0.00 0.00 55.97 56.88 1u17 s LYS 39 Cb -0.52 -0.68 0.13 0.00 -0.52 0.00 0.00 37.83 36.24 1u17 s LYS 39 CO 0.42 -0.14 0.20 1.03 -0.92 0.00 0.00 175.35 175.94 1u17 s ARG 40 N 1.14 0.88 0.51 1.68 1.81 -1.26 -5.11 118.95 118.61 1u17 s ARG 40 Ca -0.08 -1.56 0.06 0.00 -1.72 0.00 0.00 55.73 52.44 1u17 s ARG 40 Cb -0.14 -1.84 0.06 0.00 -0.45 0.00 0.00 34.95 32.58 1u17 s ARG 40 CO -0.02 -1.15 0.52 0.66 -0.68 0.00 0.00 175.30 174.64 1u17 n TYR 41 N 3.99 -1.39 -4.27 -0.53 4.01 -1.26 -4.51 117.16 113.19 1u17 n TYR 41 Ca 0.08 -2.03 -0.23 0.00 -0.16 0.00 0.00 57.90 55.56 1u17 n TYR 41 Cb 0.37 -0.45 -0.12 0.00 -0.31 0.00 0.00 39.34 38.83 1u17 n TYR 41 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1u17 s ALA 43 N -1.26 -0.75 0.18 0.00 0.00 -1.26 -0.97 121.76 117.70 1u17 s ALA 43 Ca 0.06 0.20 -0.13 0.00 0.00 0.00 0.00 51.96 52.09 1u17 s ALA 43 Cb -0.10 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.21 1u17 s ALA 43 CO 0.04 -0.32 0.39 0.00 0.00 0.00 0.00 175.76 175.87 1u17 s ALA 44 N -1.82 -0.45 0.18 0.00 0.00 -0.07 -1.61 121.76 117.99 1u17 s ALA 44 Ca -0.10 -0.56 -0.10 0.00 0.00 0.00 0.00 51.96 51.19 1u17 s ALA 44 Cb -0.03 0.84 -0.00 0.00 0.00 0.00 0.00 23.12 23.92 1u17 s ALA 44 CO 0.01 -0.71 0.34 -0.48 0.00 0.00 0.00 175.76 174.92 1u17 s LEU 45 N -2.92 0.75 -0.02 0.00 0.05 0.22 -1.00 118.68 115.75 1u17 s LEU 45 Ca 0.13 -0.84 -0.02 0.00 0.05 0.00 0.00 54.13 53.45 1u17 s LEU 45 Cb 0.01 1.38 0.01 0.00 -2.05 0.00 0.00 46.19 45.55 1u17 s LEU 45 CO -0.02 -0.95 0.06 0.00 -0.55 0.00 0.00 176.35 174.89 1u17 s ALA 46 N -3.97 -0.11 -0.05 1.48 0.00 -0.28 -0.24 121.76 118.59 1u17 s ALA 46 Ca 0.18 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.39 1u17 s ALA 46 Cb 0.02 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.00 1u17 s ALA 46 CO 0.01 -0.05 -0.10 0.00 0.00 0.00 0.00 175.76 175.62 1u17 s ALA 47 N 0.32 1.08 0.00 0.00 0.00 -1.25 -0.97 121.76 120.94 1u17 s ALA 47 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1u17 s ALA 47 Cb -0.04 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.60 1u17 s ALA 47 CO -0.01 0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.27 1u17 n GLY 48 N 3.71 2.82 3.16 0.00 0.00 -0.49 -0.82 105.19 113.57 1u17 n GLY 48 Ca -0.22 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.12 1u17 n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u17 s THR 49 N -1.29 1.20 -0.07 2.61 -4.23 -1.26 -0.74 115.64 111.86 1u17 s THR 49 Ca 0.00 -0.99 -0.04 0.00 -1.18 0.00 0.00 61.69 59.48 1u17 s THR 49 Cb 0.00 -1.07 0.03 0.00 1.34 0.00 0.00 72.50 72.80 1u17 s THR 49 CO 0.00 0.07 0.17 0.00 -0.54 0.00 0.00 174.62 174.33 1u17 s ALA 50 N -0.78 -0.38 -1.62 3.99 0.00 -0.17 -4.90 121.76 117.90 1u17 s ALA 50 Ca 0.03 0.67 -0.10 0.00 0.00 0.00 0.00 51.96 52.55 1u17 s ALA 50 Cb -0.08 -0.42 0.10 0.00 0.00 0.00 0.00 23.12 22.72 1u17 s ALA 50 CO 0.01 -0.14 0.26 0.43 0.00 0.00 0.00 175.76 176.32 1u17 n SER 51 N 3.75 -0.29 0.00 0.00 7.64 -1.26 -0.09 113.62 123.37 1u17 n SER 51 Ca -0.21 -1.20 0.00 0.00 1.01 0.00 0.00 58.87 58.47 1u17 n SER 51 Cb 0.55 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 1u17 n SER 51 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u17 n GLY 52 N -1.84 0.64 3.53 0.23 0.00 -1.26 -5.04 105.19 101.45 1u17 n GLY 52 Ca -0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 1u17 n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u17 s LYS 53 N -0.05 1.94 -0.09 1.61 1.02 0.88 -5.10 119.74 119.94 1u17 s LYS 53 Ca 0.00 -1.19 -0.27 0.00 0.02 0.00 0.00 55.97 54.53 1u17 s LYS 53 Cb 0.00 -2.16 -0.02 0.00 -0.52 0.00 0.00 37.83 35.13 1u17 s LYS 53 CO 0.00 0.47 0.89 -0.51 -0.92 0.00 0.00 175.35 175.28 1u17 s LEU 54 N -2.41 4.27 0.06 3.17 1.43 -1.26 -1.00 118.68 122.93 1u17 s LEU 54 Ca 0.21 1.39 0.05 0.00 -1.03 0.00 0.00 54.13 54.75 1u17 s LEU 54 Cb -0.10 -3.37 -0.03 0.00 0.03 0.00 0.00 46.19 42.72 1u17 s LEU 54 CO 0.13 -0.32 -0.14 -0.54 0.23 0.00 0.00 176.35 175.70 1u17 s LYS 55 N 1.57 0.86 -0.02 1.70 -0.14 0.08 -0.66 119.74 123.13 1u17 s LYS 55 Ca 0.44 -0.90 0.00 0.00 -1.36 0.00 0.00 55.97 54.15 1u17 s LYS 55 Cb -0.18 -0.88 0.02 0.00 -1.68 0.00 0.00 37.83 35.11 1u17 s LYS 55 CO 0.19 0.20 0.01 -2.00 -0.76 0.00 0.00 175.35 172.99 1u17 s GLU 56 N -1.56 0.15 0.07 1.68 2.12 -0.24 -1.40 118.70 119.52 1u17 s GLU 56 Ca -0.01 0.10 0.09 0.00 0.36 0.00 0.00 54.97 55.51 1u17 s GLU 56 Cb -0.09 -0.34 -0.03 0.00 0.26 0.00 0.00 34.13 33.92 1u17 s GLU 56 CO 0.02 -0.12 -0.23 0.00 -0.54 0.00 0.00 175.26 174.39 1u17 s ALA 57 N 0.88 2.43 0.13 6.30 0.00 -0.15 -0.94 121.76 130.41 1u17 s ALA 57 Ca -0.08 -1.30 0.08 0.00 0.00 0.00 0.00 51.96 50.67 1u17 s ALA 57 Cb -0.11 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1u17 s ALA 57 CO -0.02 0.55 -0.20 -0.51 0.00 0.00 0.00 175.76 175.59 1u17 s LEU 58 N -1.56 2.36 -0.04 0.00 1.43 0.81 -1.12 118.68 120.55 1u17 s LEU 58 Ca 0.14 -0.76 -0.02 0.00 -1.03 0.00 0.00 54.13 52.46 1u17 s LEU 58 Cb -0.10 -0.85 0.03 0.00 0.03 0.00 0.00 46.19 45.30 1u17 s LEU 58 CO 0.05 0.02 0.09 -0.47 0.23 0.00 0.00 176.35 176.26 1u17 s TYR 59 N -1.55 -0.07 -0.04 0.29 5.04 -0.17 -1.56 117.35 119.29 1u17 s TYR 59 Ca 0.10 0.32 0.02 0.00 -2.44 0.00 0.00 57.07 55.08 1u17 s TYR 59 Cb -0.08 -0.16 0.01 0.00 0.35 0.00 0.00 41.96 42.08 1u17 s TYR 59 CO 0.05 -0.13 -0.10 0.00 -1.34 0.00 0.00 175.55 174.03 1u17 s TYR 61 N 0.38 1.37 -0.38 0.00 5.04 -0.14 -1.31 117.35 122.30 1u17 s TYR 61 Ca -0.07 -0.47 -0.09 0.00 -2.44 0.00 0.00 57.07 54.00 1u17 s TYR 61 Cb -0.11 -1.00 0.05 0.00 0.35 0.00 0.00 41.96 41.24 1u17 s TYR 61 CO 0.01 -0.24 0.20 0.34 -1.34 0.00 0.00 175.55 174.53 1u17 s ASP 62 N 0.56 5.61 0.58 4.32 2.15 -0.14 -0.97 116.67 128.79 1u17 s ASP 62 Ca -0.12 -1.20 0.36 0.00 0.43 0.00 0.00 52.55 52.02 1u17 s ASP 62 Cb -0.14 -1.98 1.76 0.00 -0.30 0.00 0.00 42.92 42.26 1u17 s ASP 62 CO 0.03 -0.43 2.14 1.55 -0.17 0.00 0.00 175.17 178.30 1u17 h PRO 63 N 8.38 0.00 0.00 4.34 0.13 -1.85 0.29 132.00 143.29 1u17 h PRO 63 Ca -0.24 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.73 1u17 h PRO 63 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 1u17 h PRO 63 CO 0.68 0.03 -0.75 0.87 -0.23 0.00 0.00 178.00 178.61 1u17 h LYS 64 N 0.00 0.00 0.00 0.86 1.79 -1.92 -3.36 116.57 113.94 1u17 h LYS 64 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1u17 h LYS 64 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1u17 h LYS 64 CO 0.00 0.75 -0.37 0.25 -1.08 0.00 0.00 179.45 179.00 1u17 n THR 65 N -3.61 0.00 -0.97 -0.16 -2.24 -1.08 -5.00 114.28 101.23 1u17 n THR 65 Ca -0.01 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1u17 n THR 65 Cb 0.74 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 1u17 n THR 65 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u17 n GLN 66 N -1.18 -0.51 -2.00 -0.78 3.00 0.99 -5.00 117.38 111.89 1u17 n GLN 66 Ca 0.00 0.13 -0.39 0.00 -0.01 0.00 0.00 57.00 56.72 1u17 n GLN 66 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 30.24 26.71 1u17 n GLN 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1u17 s ASP 67 N -2.12 6.20 0.05 1.08 -0.00 -1.22 -4.75 116.67 115.90 1u17 s ASP 67 Ca 0.00 2.70 0.03 0.00 -0.00 0.00 0.00 52.55 55.28 1u17 s ASP 67 Cb 0.00 -2.64 -0.02 0.00 -0.00 0.00 0.00 42.92 40.26 1u17 s ASP 67 CO 0.00 -0.93 -0.10 0.42 -0.00 0.00 0.00 175.17 174.56 1u17 s THR 68 N -1.26 0.74 0.03 -1.27 -4.23 -1.26 -0.96 115.64 107.43 1u17 s THR 68 Ca 0.58 -1.08 -0.00 0.00 -1.18 0.00 0.00 61.69 60.01 1u17 s THR 68 Cb -0.39 -0.76 -0.03 0.00 1.34 0.00 0.00 72.50 72.67 1u17 s THR 68 CO 0.50 -0.27 -0.03 0.72 -0.54 0.00 0.00 174.62 175.00 1u17 s PHE 69 N -1.22 0.38 0.07 3.99 -0.71 -0.43 -5.00 117.98 115.06 1u17 s PHE 69 Ca -0.06 -0.74 0.05 0.00 -1.04 0.00 0.00 56.93 55.14 1u17 s PHE 69 Cb -0.09 -0.28 -0.03 0.00 -1.21 0.00 0.00 43.02 41.41 1u17 s PHE 69 CO 0.01 -0.26 -0.14 0.71 -1.34 0.00 0.00 175.22 174.20 1u17 s TYR 70 N -2.44 1.20 0.08 3.49 1.51 -1.24 -1.70 117.35 118.24 1u17 s TYR 70 Ca -0.07 -0.45 0.01 0.00 -1.01 0.00 0.00 57.07 55.56 1u17 s TYR 70 Cb -0.03 -0.68 -0.04 0.00 -0.11 0.00 0.00 41.96 41.11 1u17 s TYR 70 CO -0.04 0.05 -0.06 -0.51 -1.11 0.00 0.00 175.55 173.87 1u17 s ASP 71 N -1.68 0.96 0.01 2.29 1.01 -0.60 -1.16 116.67 117.49 1u17 s ASP 71 Ca -0.02 -0.88 0.01 0.00 0.71 0.00 0.00 52.55 52.36 1u17 s ASP 71 Cb -0.10 0.10 -0.01 0.00 1.01 0.00 0.00 42.92 43.92 1u17 s ASP 71 CO 0.02 -0.42 -0.02 0.54 0.21 0.00 0.00 175.17 175.50 1u17 s VAL 72 N -3.07 0.16 0.02 -1.27 0.11 -0.40 -0.14 120.40 115.81 1u17 s VAL 72 Ca 0.05 -0.36 -0.01 0.00 -2.93 0.00 0.00 61.98 58.72 1u17 s VAL 72 Cb 0.02 -0.19 -0.02 0.00 -1.53 0.00 0.00 36.38 34.66 1u17 s VAL 72 CO -0.04 -0.13 0.00 -0.44 -3.33 0.00 0.00 175.10 171.16 1u17 s SER 73 N -0.53 0.21 0.15 3.54 0.01 -0.12 -1.36 113.70 115.61 1u17 s SER 73 Ca -0.04 -0.47 -0.24 0.00 1.31 0.00 0.00 55.95 56.50 1u17 s SER 73 Cb -0.04 0.13 -0.08 0.00 0.21 0.00 0.00 66.02 66.24 1u17 s SER 73 CO -0.00 -0.33 0.73 -0.70 0.41 0.00 0.00 173.24 173.35 1u17 s GLU 74 N -1.59 4.48 0.02 12.44 2.12 -1.26 -1.08 118.70 133.83 1u17 s GLU 74 Ca -0.14 1.06 0.02 0.00 0.36 0.00 0.00 54.97 56.27 1u17 s GLU 74 Cb -0.09 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 1u17 s GLU 74 CO -0.01 0.58 0.01 -0.51 -0.54 0.00 0.00 175.26 174.79 1u17 s LEU 75 N -1.17 3.52 -0.09 2.70 1.43 0.17 -3.74 118.68 121.51 1u17 s LEU 75 Ca 0.34 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.43 1u17 s LEU 75 Cb -0.22 -2.08 0.01 0.00 0.03 0.00 0.00 46.19 43.93 1u17 s LEU 75 CO 0.25 0.25 -0.16 -1.58 0.23 0.00 0.00 176.35 175.34 1u17 s GLN 76 N -1.74 2.21 -0.11 1.70 0.74 0.11 -4.52 119.66 118.04 1u17 s GLN 76 Ca 0.21 -0.58 -0.30 0.00 0.05 0.00 0.00 55.36 54.75 1u17 s GLN 76 Cb -0.12 -1.77 -0.03 0.00 1.10 0.00 0.00 33.01 32.19 1u17 s GLN 76 CO 0.12 0.05 1.27 -2.00 -0.55 0.00 0.00 175.29 174.19 1u17 s GLU 77 N 0.65 4.27 -0.10 1.67 2.12 -1.26 -1.20 118.70 124.86 1u17 s GLU 77 Ca -0.14 1.72 -0.13 0.00 0.36 0.00 0.00 54.97 56.78 1u17 s GLU 77 Cb -0.16 -3.69 -0.27 0.00 0.26 0.00 0.00 34.13 30.27 1u17 s GLU 77 CO 0.04 -0.61 0.52 0.93 -0.54 0.00 0.00 175.26 175.60 1u17 h GLU 78 N 7.99 0.27 -2.96 4.30 4.39 -0.68 -3.48 114.58 124.40 1u17 h GLU 78 Ca -0.31 -0.47 0.04 0.00 0.34 0.00 0.00 59.36 58.97 1u17 h GLU 78 Cb 1.13 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.93 1u17 h GLU 78 CO 0.93 1.22 0.27 -1.54 -1.16 0.00 0.00 179.01 178.73 1u17 s SER 79 N -7.09 -0.14 -0.26 1.42 1.04 -1.16 -5.03 113.70 102.47 1u17 s SER 79 Ca -0.20 -0.82 -0.39 0.00 0.48 0.00 0.00 55.95 55.02 1u17 s SER 79 Cb 0.05 0.77 -0.15 0.00 0.10 0.00 0.00 66.02 66.79 1u17 s SER 79 CO 0.78 -1.46 1.78 -2.65 0.98 0.00 0.00 173.24 172.67 1u17 n PRO 80 N -0.49 1.28 -0.96 4.02 -0.02 -1.26 -0.68 135.00 136.89 1u17 n PRO 80 Ca -0.06 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1u17 n PRO 80 Cb 0.59 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1u17 n PRO 80 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u17 n GLY 81 N 4.31 0.69 3.09 -1.23 0.00 -1.26 -4.76 105.19 106.04 1u17 n GLY 81 Ca 0.27 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.02 1u17 n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u17 s LYS 82 N -0.19 2.02 0.02 1.61 1.02 0.15 -1.08 119.74 123.29 1u17 s LYS 82 Ca 0.00 -0.56 0.01 0.00 0.02 0.00 0.00 55.97 55.44 1u17 s LYS 82 Cb 0.00 -1.63 -0.02 0.00 -0.52 0.00 0.00 37.83 35.66 1u17 s LYS 82 CO 0.00 0.11 -0.05 0.71 -0.92 0.00 0.00 175.35 175.20 1u17 s TYR 83 N 0.46 0.44 0.03 3.18 1.51 -0.32 0.11 117.35 122.76 1u17 s TYR 83 Ca -0.13 -0.42 0.07 0.00 -1.01 0.00 0.00 57.07 55.58 1u17 s TYR 83 Cb -0.15 -0.28 -0.03 0.00 -0.11 0.00 0.00 41.96 41.39 1u17 s TYR 83 CO 0.05 -0.11 -0.19 0.99 -1.11 0.00 0.00 175.55 175.18 1u17 s THR 84 N -1.14 2.73 -0.05 -0.71 2.01 -0.34 -0.62 115.64 117.52 1u17 s THR 84 Ca -0.10 -1.16 -0.02 0.00 0.31 0.00 0.00 61.69 60.72 1u17 s THR 84 Cb -0.08 -2.13 0.04 0.00 0.01 0.00 0.00 72.50 70.34 1u17 s THR 84 CO -0.00 0.37 0.09 0.00 -0.69 0.00 0.00 174.62 174.39 1u17 s ALA 85 N -0.89 0.10 -0.47 7.40 0.00 -0.08 -0.71 121.76 127.11 1u17 s ALA 85 Ca 0.14 0.31 -0.18 0.00 0.00 0.00 0.00 51.96 52.23 1u17 s ALA 85 Cb -0.10 -0.68 0.05 0.00 0.00 0.00 0.00 23.12 22.38 1u17 s ALA 85 CO 0.04 -0.51 0.54 -0.80 0.00 0.00 0.00 175.76 175.03 1u17 s ASN 86 N 2.20 6.21 0.24 0.00 0.01 -1.25 -1.14 114.94 121.22 1u17 s ASN 86 Ca 0.04 -0.85 -0.04 0.00 -0.71 0.00 0.00 52.86 51.30 1u17 s ASN 86 Cb -0.12 -2.26 -0.05 0.00 0.41 0.00 0.00 41.25 39.23 1u17 s ASN 86 CO -0.04 -0.76 0.48 0.72 -1.51 0.00 0.00 177.10 176.00 1u17 s PHE 87 N 2.37 3.47 0.01 2.20 -0.12 -1.24 -4.42 117.98 120.25 1u17 s PHE 87 Ca 0.13 0.56 0.04 0.00 -0.05 0.00 0.00 56.93 57.62 1u17 s PHE 87 Cb -0.19 -2.03 -0.02 0.00 -0.63 0.00 0.00 43.02 40.16 1u17 s PHE 87 CO 0.12 0.27 -0.13 -1.59 -0.05 0.00 0.00 175.22 173.84 1u17 s LYS 88 N -3.32 0.98 -0.01 1.99 -2.85 -0.47 -4.17 119.74 111.90 1u17 s LYS 88 Ca 0.42 -0.61 -0.22 0.00 -1.00 0.00 0.00 55.97 54.56 1u17 s LYS 88 Cb -0.11 -0.97 -0.05 0.00 -2.06 0.00 0.00 37.83 34.64 1u17 s LYS 88 CO 0.28 0.25 0.66 0.21 0.10 0.00 0.00 175.35 176.86 1u17 s LYS 89 N -0.73 4.40 0.10 1.78 2.20 -0.68 -1.28 119.74 125.53 1u17 s LYS 89 Ca 0.03 0.85 0.01 0.00 -0.36 0.00 0.00 55.97 56.50 1u17 s LYS 89 Cb -0.06 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.84 1u17 s LYS 89 CO 0.00 0.27 -0.04 0.14 -0.36 0.00 0.00 175.35 175.36 1u17 s VAL 90 N 0.11 0.56 0.93 4.02 -7.23 -0.31 -0.47 120.40 118.01 1u17 s VAL 90 Ca 0.34 -1.92 -0.13 0.00 -1.81 0.00 0.00 61.98 58.46 1u17 s VAL 90 Cb -0.19 -1.75 0.15 0.00 0.56 0.00 0.00 36.38 35.16 1u17 s VAL 90 CO 0.19 -0.80 1.17 -1.61 -0.31 0.00 0.00 175.10 173.73 1u17 s GLU 91 N -3.88 0.99 0.60 4.82 0.41 0.43 -3.73 118.70 118.34 1u17 s GLU 91 Ca 0.14 0.14 0.39 0.00 -0.41 0.00 0.00 54.97 55.22 1u17 s GLU 91 Cb 0.06 -1.84 1.83 0.00 -1.78 0.00 0.00 34.13 32.41 1u17 s GLU 91 CO -0.04 -2.27 2.15 1.57 -0.49 0.00 0.00 175.26 176.18 1u17 h LYS 92 N -1.55 0.00 -0.11 1.61 2.10 -1.96 -0.93 116.57 115.73 1u17 h LYS 92 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1u17 h LYS 92 Cb 1.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1u17 h LYS 92 CO 0.57 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 178.29 1u17 n ASN 93 N -3.08 1.40 0.00 7.07 0.23 -1.26 -4.78 115.26 114.84 1u17 n ASN 93 Ca -0.01 -1.60 0.00 0.00 -0.53 0.00 0.00 54.58 52.44 1u17 n ASN 93 Cb 0.20 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 37.84 1u17 n ASN 93 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1u17 n GLY 94 N 1.10 0.45 3.75 4.83 0.00 -0.35 -5.05 105.19 109.92 1u17 n GLY 94 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1u17 n GLY 94 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1u17 s ASN 95 N -2.34 6.52 -0.15 1.61 0.01 -1.26 -4.67 114.94 114.66 1u17 s ASN 95 Ca 0.00 2.80 -0.24 0.00 -0.71 0.00 0.00 52.86 54.71 1u17 s ASN 95 Cb 0.00 -2.63 -0.02 0.00 0.41 0.00 0.00 41.25 39.01 1u17 s ASN 95 CO 0.00 -0.81 0.77 -0.69 -1.51 0.00 0.00 177.10 174.86 1u17 s VAL 96 N 0.07 4.94 -0.23 1.60 1.01 -1.26 -0.43 120.40 126.10 1u17 s VAL 96 Ca 0.62 1.51 -0.12 0.00 0.00 0.00 0.00 61.98 63.99 1u17 s VAL 96 Cb -0.45 -4.08 -0.17 0.00 0.00 0.00 0.00 36.38 31.68 1u17 s VAL 96 CO 0.45 0.10 -0.06 0.29 0.00 0.00 0.00 175.10 175.87 1u17 n LYS 97 N 4.84 0.62 -3.84 2.72 5.02 0.38 -4.89 118.16 123.01 1u17 n LYS 97 Ca 0.02 0.33 -0.27 0.00 -2.02 0.00 0.00 58.31 56.37 1u17 n LYS 97 Cb 0.50 -1.60 -0.17 0.00 -0.02 0.00 0.00 35.03 33.74 1u17 n LYS 97 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1u17 s VAL 98 N -2.48 0.83 0.85 -0.18 1.01 -0.85 -4.98 120.40 114.60 1u17 s VAL 98 Ca -0.33 -0.42 -0.13 0.00 0.00 0.00 0.00 61.98 61.11 1u17 s VAL 98 Cb 0.10 -1.05 0.08 0.00 0.00 0.00 0.00 36.38 35.51 1u17 s VAL 98 CO 0.58 0.12 0.99 0.47 0.00 0.00 0.00 175.10 177.26 1u17 n ASP 99 N 4.97 0.14 -4.66 3.32 9.92 -1.26 -1.69 116.55 127.29 1u17 n ASP 99 Ca -0.10 0.51 -0.46 0.00 -0.53 0.00 0.00 54.79 54.20 1u17 n ASP 99 Cb 0.48 -1.42 -0.04 0.00 -0.64 0.00 0.00 41.12 39.50 1u17 n ASP 99 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1u17 n VAL 100 N -3.48 0.24 -3.89 2.53 0.31 -1.26 -4.79 118.33 108.00 1u17 n VAL 100 Ca 0.12 -0.06 -0.10 0.00 -0.01 0.00 0.00 64.34 64.28 1u17 n VAL 100 Cb 0.51 -1.45 -0.09 0.00 -0.91 0.00 0.00 33.84 31.90 1u17 n VAL 100 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1u17 s THR 101 N 0.62 0.11 0.11 2.52 -1.32 -1.26 -5.08 115.64 111.34 1u17 s THR 101 Ca 0.77 -0.88 -0.22 0.00 -1.21 0.00 0.00 61.69 60.15 1u17 s THR 101 Cb -0.70 -0.68 -0.05 0.00 -1.51 0.00 0.00 72.50 69.56 1u17 s THR 101 CO 0.42 -0.48 1.12 -1.20 -2.21 0.00 0.00 174.62 172.27 1u17 n SER 102 N 1.07 -0.74 -1.38 8.08 7.64 -1.26 -0.60 113.62 126.43 1u17 n SER 102 Ca -0.21 1.29 0.06 0.00 1.01 0.00 0.00 58.87 61.02 1u17 n SER 102 Cb 0.57 -0.19 0.28 0.00 -1.01 0.00 0.00 64.21 63.87 1u17 n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u17 n GLY 103 N -1.17 2.30 3.29 0.23 0.00 -1.26 -4.68 105.19 103.90 1u17 n GLY 103 Ca 0.01 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 1u17 n GLY 103 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1u17 s ASN 104 N -0.69 5.87 0.03 1.61 -0.87 0.23 -0.37 114.94 120.76 1u17 s ASN 104 Ca 0.39 -1.64 -0.26 0.00 -1.57 0.00 0.00 52.86 49.79 1u17 s ASN 104 Cb 0.27 -2.08 0.06 0.00 -0.02 0.00 0.00 41.25 39.49 1u17 s ASN 104 CO 0.15 -0.67 0.60 -0.72 -2.57 0.00 0.00 177.10 173.89 1u17 s TYR 105 N 1.49 -0.54 0.18 2.20 -0.85 -0.35 -3.65 117.35 115.83 1u17 s TYR 105 Ca 0.04 0.71 0.10 0.00 -0.52 0.00 0.00 57.07 57.40 1u17 s TYR 105 Cb -0.26 0.41 -0.04 0.00 0.38 0.00 0.00 41.96 42.45 1u17 s TYR 105 CO 0.02 -0.66 -0.21 1.52 -1.52 0.00 0.00 175.55 174.70 1u17 s TYR 106 N -2.15 2.05 0.12 -3.49 -0.85 -0.29 -0.90 117.35 111.84 1u17 s TYR 106 Ca -0.07 -0.41 0.10 0.00 -0.52 0.00 0.00 57.07 56.17 1u17 s TYR 106 Cb -0.01 -1.02 -0.04 0.00 0.38 0.00 0.00 41.96 41.27 1u17 s TYR 106 CO 0.01 0.41 -0.24 0.95 -1.52 0.00 0.00 175.55 175.16 1u17 s THR 107 N -1.84 2.43 0.07 -3.49 -4.23 -0.64 -0.90 115.64 107.04 1u17 s THR 107 Ca 0.18 -1.66 -0.09 0.00 -1.18 0.00 0.00 61.69 58.94 1u17 s THR 107 Cb -0.07 -2.08 -0.00 0.00 1.34 0.00 0.00 72.50 71.69 1u17 s THR 107 CO 0.08 0.11 0.19 0.72 -0.54 0.00 0.00 174.62 175.18 1u17 s PHE 108 N -1.07 0.13 -0.05 3.99 -0.71 0.21 -1.24 117.98 119.23 1u17 s PHE 108 Ca 0.15 -0.50 0.03 0.00 -1.04 0.00 0.00 56.93 55.57 1u17 s PHE 108 Cb -0.10 -0.06 0.01 0.00 -1.21 0.00 0.00 43.02 41.66 1u17 s PHE 108 CO 0.07 -0.51 -0.12 0.99 -1.34 0.00 0.00 175.22 174.31 1u17 s THR 109 N -3.47 1.11 -0.63 -4.49 2.01 -0.39 -1.17 115.64 108.60 1u17 s THR 109 Ca 0.02 -0.49 -0.23 0.00 0.31 0.00 0.00 61.69 61.30 1u17 s THR 109 Cb 0.03 -1.00 0.06 0.00 0.01 0.00 0.00 72.50 71.60 1u17 s THR 109 CO -0.09 0.34 0.95 -0.69 -0.69 0.00 0.00 174.62 174.44 1u17 s VAL 110 N 0.50 4.35 0.13 3.82 1.01 -0.24 -1.20 120.40 128.77 1u17 s VAL 110 Ca -0.11 -0.22 0.10 0.00 0.00 0.00 0.00 61.98 61.75 1u17 s VAL 110 Cb -0.14 -4.64 -0.10 0.00 0.00 0.00 0.00 36.38 31.50 1u17 s VAL 110 CO 0.03 -1.36 1.42 0.24 0.00 0.00 0.00 175.10 175.43 1u17 h MET 111 N 9.49 0.00 -2.25 2.72 2.86 -1.28 0.20 114.93 126.67 1u17 h MET 111 Ca -0.28 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.29 1u17 h MET 111 Cb 1.07 0.00 -0.22 0.00 0.06 0.00 0.00 31.60 32.51 1u17 h MET 111 CO 1.15 0.79 -0.01 -0.47 1.06 0.00 0.00 176.91 179.44 1u17 s TYR 112 N -3.04 -0.70 -0.09 -0.22 5.04 -1.05 -3.49 117.35 113.79 1u17 s TYR 112 Ca 0.01 1.67 -0.27 0.00 -2.44 0.00 0.00 57.07 56.04 1u17 s TYR 112 Cb 0.10 0.26 0.06 0.00 0.35 0.00 0.00 41.96 42.74 1u17 s TYR 112 CO 0.79 -0.34 0.62 0.00 -1.34 0.00 0.00 175.55 175.28 1u17 s ALA 113 N 0.46 -1.60 0.00 3.97 0.00 -1.26 -0.87 121.76 122.46 1u17 s ALA 113 Ca -0.01 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.26 1u17 s ALA 113 Cb -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1u17 s ALA 113 CO -0.01 -0.34 0.00 -0.40 0.00 0.00 0.00 175.76 175.01 1u17 n ASP 114 N 1.39 0.00 0.05 0.00 5.68 -0.46 -4.94 116.55 118.28 1u17 n ASP 114 Ca -0.18 -0.97 0.18 0.00 -0.50 0.00 0.00 54.79 53.32 1u17 n ASP 114 Cb 0.56 0.00 0.70 0.00 -1.14 0.00 0.00 41.12 41.24 1u17 n ASP 114 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1u17 h ASP 115 N 0.00 0.00 0.00 -1.12 3.32 -2.01 -3.28 116.42 113.32 1u17 h ASP 115 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1u17 h ASP 115 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1u17 h ASP 115 CO 0.00 0.00 -1.00 -1.54 -1.72 0.00 0.00 179.24 174.98 1u17 n SER 116 N -4.33 3.24 -4.02 6.45 3.41 -1.26 -4.86 113.62 112.25 1u17 n SER 116 Ca 0.07 -0.12 -0.10 0.00 -0.26 0.00 0.00 58.87 58.46 1u17 n SER 116 Cb 0.52 1.16 -0.07 0.00 -0.26 0.00 0.00 64.21 65.55 1u17 n SER 116 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1u17 s SER 117 N -2.28 0.04 0.05 4.04 1.04 -1.24 -1.05 113.70 114.31 1u17 s SER 117 Ca -0.01 -0.99 -0.27 0.00 0.48 0.00 0.00 55.95 55.17 1u17 s SER 117 Cb 0.03 0.45 0.09 0.00 0.10 0.00 0.00 66.02 66.69 1u17 s SER 117 CO 0.18 -0.93 0.74 0.00 0.98 0.00 0.00 173.24 174.21 1u17 s ALA 118 N -4.01 -1.72 -0.11 5.32 0.00 -0.87 -1.35 121.76 119.01 1u17 s ALA 118 Ca 0.22 0.86 0.01 0.00 0.00 0.00 0.00 51.96 53.05 1u17 s ALA 118 Cb 0.03 0.49 0.02 0.00 0.00 0.00 0.00 23.12 23.67 1u17 s ALA 118 CO 0.04 -0.66 -0.12 -1.17 0.00 0.00 0.00 175.76 173.86 1u17 s LEU 119 N -2.33 1.49 0.11 0.00 2.96 -0.04 -0.91 118.68 119.96 1u17 s LEU 119 Ca 0.01 -0.36 0.09 0.00 -0.22 0.00 0.00 54.13 53.64 1u17 s LEU 119 Cb -0.01 -0.96 -0.04 0.00 0.50 0.00 0.00 46.19 45.69 1u17 s LEU 119 CO -0.08 -0.05 -0.22 0.27 -1.32 0.00 0.00 176.35 174.96 1u17 s ILE 120 N 1.29 1.85 -0.06 6.68 -4.36 -0.52 -1.06 121.20 125.02 1u17 s ILE 120 Ca -0.02 -1.58 0.05 0.00 -0.26 0.00 0.00 60.65 58.84 1u17 s ILE 120 Cb -0.14 -1.66 -0.02 0.00 1.25 0.00 0.00 42.46 41.89 1u17 s ILE 120 CO -0.05 -0.01 -0.19 -2.28 0.24 0.00 0.00 174.94 172.65 1u17 s HIS 121 N -1.12 2.57 0.00 1.37 5.65 -0.34 -1.07 115.29 122.35 1u17 s HIS 121 Ca 0.08 -0.42 0.05 0.00 0.25 0.00 0.00 55.06 55.02 1u17 s HIS 121 Cb -0.10 -1.62 -0.01 0.00 -1.18 0.00 0.00 32.58 29.66 1u17 s HIS 121 CO 0.05 -0.01 -0.16 0.99 -0.65 0.00 0.00 174.74 174.95 1u17 s THR 122 N -0.42 1.25 -0.18 0.89 2.01 0.47 -1.26 115.64 118.40 1u17 s THR 122 Ca 0.04 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.28 1u17 s THR 122 Cb -0.12 -1.06 0.01 0.00 0.01 0.00 0.00 72.50 71.35 1u17 s THR 122 CO 0.02 0.27 -0.18 0.00 -0.69 0.00 0.00 174.62 174.04 1u17 s LEU 124 N 1.24 4.18 -0.06 0.00 2.96 -0.18 -1.63 118.68 125.19 1u17 s LEU 124 Ca 0.03 0.25 0.03 0.00 -0.22 0.00 0.00 54.13 54.22 1u17 s LEU 124 Cb -0.14 -2.06 0.01 0.00 0.50 0.00 0.00 46.19 44.50 1u17 s LEU 124 CO -0.10 0.22 -0.14 -1.00 -1.32 0.00 0.00 176.35 174.02 1u17 s HIS 125 N 0.09 1.56 -0.05 5.38 3.76 -0.07 -0.38 115.29 125.57 1u17 s HIS 125 Ca 0.09 -0.55 0.03 0.00 -0.15 0.00 0.00 55.06 54.48 1u17 s HIS 125 Cb -0.11 -1.11 0.00 0.00 1.11 0.00 0.00 32.58 32.47 1u17 s HIS 125 CO -0.01 -0.26 -0.13 0.15 -0.85 0.00 0.00 174.74 173.65 1u17 s LYS 126 N 0.50 1.49 -1.43 1.40 1.02 -0.89 -1.21 119.74 120.62 1u17 s LYS 126 Ca -0.12 -0.44 -0.12 0.00 0.02 0.00 0.00 55.97 55.30 1u17 s LYS 126 Cb -0.15 -1.29 0.02 0.00 -0.52 0.00 0.00 37.83 35.89 1u17 s LYS 126 CO 0.04 0.13 0.26 0.41 -0.92 0.00 0.00 175.35 175.26 1u17 n GLY 127 N 3.43 -0.38 3.79 -3.33 0.00 0.51 -2.13 105.19 107.07 1u17 n GLY 127 Ca -0.20 0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1u17 n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1u17 n ASN 128 N -2.64 -3.49 -3.68 1.61 5.03 -0.92 -4.95 115.26 106.22 1u17 n ASN 128 Ca -0.25 -1.02 -0.12 0.00 0.87 0.00 0.00 54.58 54.06 1u17 n ASN 128 Cb 0.65 -3.22 -0.09 0.00 -1.02 0.00 0.00 39.78 36.10 1u17 n ASN 128 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 1u17 s LYS 129 N -6.23 0.63 -0.23 3.52 -2.85 -0.91 -5.12 119.74 108.54 1u17 s LYS 129 Ca 0.31 0.85 -0.29 0.00 -1.00 0.00 0.00 55.97 55.84 1u17 s LYS 129 Cb -0.11 0.24 -0.03 0.00 -2.06 0.00 0.00 37.83 35.86 1u17 s LYS 129 CO 0.87 -0.10 1.85 -0.51 0.10 0.00 0.00 175.35 177.56 1u17 s ASP 130 N 0.66 6.01 0.00 0.03 1.11 -1.26 -2.09 116.67 121.13 1u17 s ASP 130 Ca -0.03 1.66 0.00 0.00 0.18 0.00 0.00 52.55 54.36 1u17 s ASP 130 Cb -0.05 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.42 1u17 s ASP 130 CO -0.04 -1.55 0.00 -0.11 1.18 0.00 0.00 175.17 174.64 1u17 n LEU 131 N 9.72 0.00 -4.48 1.23 7.94 0.49 -3.44 117.00 128.47 1u17 n LEU 131 Ca 0.23 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.78 1u17 n LEU 131 Cb 0.45 0.00 0.09 0.00 0.53 0.00 0.00 43.42 44.50 1u17 n LEU 131 CO 0.67 0.00 0.11 0.61 -1.11 0.00 0.00 177.39 177.66 1u17 n GLY 132 N 5.00 -1.49 2.88 -3.96 0.00 -1.21 -4.69 105.19 101.72 1u17 n GLY 132 Ca 0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 1u17 n GLY 132 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u17 s ASP 133 N -1.73 0.67 -0.22 1.61 3.68 -1.26 -1.01 116.67 118.40 1u17 s ASP 133 Ca 0.64 0.14 -0.13 0.00 2.13 0.00 0.00 52.55 55.33 1u17 s ASP 133 Cb -0.29 0.79 0.07 0.00 -1.45 0.00 0.00 42.92 42.04 1u17 s ASP 133 CO 0.60 -0.30 0.53 -0.22 0.13 0.00 0.00 175.17 175.92 1u17 s LEU 134 N 2.45 -0.42 -0.08 -1.34 0.20 -0.78 -0.86 118.68 117.85 1u17 s LEU 134 Ca 0.08 1.16 -0.04 0.00 0.69 0.00 0.00 54.13 56.02 1u17 s LEU 134 Cb -0.15 1.81 -0.04 0.00 -0.43 0.00 0.00 46.19 47.38 1u17 s LEU 134 CO -0.13 -0.21 0.09 -0.31 -0.29 0.00 0.00 176.35 175.50 1u17 s TYR 135 N 1.35 3.41 -0.04 5.38 2.02 -0.27 -0.39 117.35 128.80 1u17 s TYR 135 Ca -0.08 0.36 0.01 0.00 -0.37 0.00 0.00 57.07 56.99 1u17 s TYR 135 Cb -0.07 -1.85 0.02 0.00 -0.40 0.00 0.00 41.96 39.66 1u17 s TYR 135 CO -0.14 0.62 -0.06 0.00 -1.57 0.00 0.00 175.55 174.40 1u17 s ALA 136 N -1.03 0.78 -0.16 3.71 0.00 -0.23 -0.53 121.76 124.29 1u17 s ALA 136 Ca 0.17 -0.14 -0.18 0.00 0.00 0.00 0.00 51.96 51.80 1u17 s ALA 136 Cb -0.12 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1u17 s ALA 136 CO 0.06 0.04 0.49 0.08 0.00 0.00 0.00 175.76 176.43 1u17 s VAL 137 N 0.75 5.15 0.18 0.00 1.01 0.11 -1.43 120.40 126.17 1u17 s VAL 137 Ca -0.11 0.94 0.08 0.00 0.00 0.00 0.00 61.98 62.89 1u17 s VAL 137 Cb -0.14 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1u17 s VAL 137 CO 0.01 0.25 -0.04 -0.76 0.00 0.00 0.00 175.10 174.57 1u17 s LEU 138 N 1.12 3.18 0.05 3.92 2.01 -0.08 -1.02 118.68 127.86 1u17 s LEU 138 Ca 0.25 -0.47 -0.07 0.00 0.01 0.00 0.00 54.13 53.84 1u17 s LEU 138 Cb -0.15 -1.84 -0.01 0.00 0.01 0.00 0.00 46.19 44.20 1u17 s LEU 138 CO 0.10 0.09 0.14 0.21 1.01 0.00 0.00 176.35 177.90 1u17 s ASN 139 N -2.92 0.15 0.10 2.29 3.84 -0.18 -2.06 114.94 116.16 1u17 s ASN 139 Ca 0.27 -0.56 0.26 0.00 0.21 0.00 0.00 52.86 53.04 1u17 s ASN 139 Cb -0.09 0.27 1.01 0.00 -0.55 0.00 0.00 41.25 41.89 1u17 s ASN 139 CO 0.17 -0.59 1.82 0.54 -2.79 0.00 0.00 177.10 176.25 1u17 n ARG 140 N 0.46 0.12 -4.59 0.43 1.74 -0.21 -1.32 116.66 113.28 1u17 n ARG 140 Ca -0.17 0.13 -0.27 0.00 -0.77 0.00 0.00 57.85 56.76 1u17 n ARG 140 Cb 0.60 -1.64 -0.17 0.00 -1.02 0.00 0.00 32.46 30.23 1u17 n ARG 140 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1u17 s ASN 141 N -3.68 2.24 0.33 0.55 3.84 -1.26 -4.83 114.94 112.12 1u17 s ASN 141 Ca 0.12 -0.39 0.26 0.00 0.21 0.00 0.00 52.86 53.06 1u17 s ASN 141 Cb 0.15 -1.01 1.11 0.00 -0.55 0.00 0.00 41.25 40.95 1u17 s ASN 141 CO 0.53 0.04 1.78 0.07 -2.79 0.00 0.00 177.10 176.72 1u17 h LYS 142 N 7.17 0.00 -0.54 0.43 2.10 -1.95 -2.91 116.57 120.87 1u17 h LYS 142 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 1u17 h LYS 142 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1u17 h LYS 142 CO 0.48 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.68 1u17 n ASP 143 N -2.43 4.42 -4.66 7.07 8.00 -1.26 -4.97 116.55 122.73 1u17 n ASP 143 Ca 0.01 -2.50 -0.35 0.00 0.71 0.00 0.00 54.79 52.67 1u17 n ASP 143 Cb 0.23 -0.53 -0.09 0.00 -0.02 0.00 0.00 41.12 40.70 1u17 n ASP 143 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1u17 s THR 144 N -1.92 4.88 0.43 -3.53 2.01 -1.10 -5.07 115.64 111.33 1u17 s THR 144 Ca 0.46 -0.00 -0.22 0.00 0.31 0.00 0.00 61.69 62.24 1u17 s THR 144 Cb 0.31 -3.20 -0.10 0.00 0.01 0.00 0.00 72.50 69.52 1u17 s THR 144 CO 0.21 0.47 1.00 0.20 -0.69 0.00 0.00 174.62 175.80 1u17 s ASN 145 N 0.28 6.73 0.06 3.53 0.01 -1.26 -4.96 114.94 119.34 1u17 s ASN 145 Ca 0.04 1.85 -0.33 0.00 -0.71 0.00 0.00 52.86 53.71 1u17 s ASN 145 Cb -0.12 -2.56 -0.12 0.00 0.41 0.00 0.00 41.25 38.86 1u17 s ASN 145 CO -0.00 -0.51 1.79 0.00 -1.51 0.00 0.00 177.10 176.87 1u17 n ALA 146 N -0.54 1.50 -1.90 0.60 0.00 -1.26 -4.95 120.51 113.96 1u17 n ALA 146 Ca 0.07 0.33 -0.29 0.00 0.00 0.00 0.00 53.44 53.56 1u17 n ALA 146 Cb 0.52 -2.50 0.09 0.00 0.00 0.00 0.00 19.45 17.56 1u17 n ALA 146 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1u17 s GLY 147 N 2.78 1.60 0.29 0.00 0.00 -1.26 -4.85 107.32 105.89 1u17 s GLY 147 Ca 0.85 -0.68 0.04 0.00 0.00 0.00 0.00 44.72 44.92 1u17 s GLY 147 CO 0.42 -0.19 1.81 -0.55 0.00 0.00 0.00 173.10 174.59 1u17 h ASP 148 N -1.04 0.85 -0.06 1.64 3.32 -1.98 -1.79 116.42 117.36 1u17 h ASP 148 Ca -0.46 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 56.66 1u17 h ASP 148 Cb 1.33 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.78 1u17 h ASP 148 CO 0.65 0.38 0.02 0.11 -1.72 0.00 0.00 179.24 178.68 1u17 h LYS 149 N 0.88 0.09 -0.17 3.56 1.57 -1.99 0.48 116.57 120.99 1u17 h LYS 149 Ca 0.54 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 59.21 1u17 h LYS 149 Cb 0.70 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1u17 h LYS 149 CO -0.32 0.22 -0.30 -0.24 -0.57 0.00 0.00 179.45 178.23 1u17 h VAL 150 N -0.07 1.27 -0.20 0.50 3.04 -1.91 -1.42 116.25 117.46 1u17 h VAL 150 Ca 0.02 -1.30 -0.12 0.00 -1.01 0.00 0.00 66.70 64.29 1u17 h VAL 150 Cb 0.16 1.48 -0.01 0.00 -2.01 0.00 0.00 31.29 30.91 1u17 h VAL 150 CO -0.00 0.40 -0.37 0.11 -1.01 0.00 0.00 177.57 176.70 1u17 h LYS 151 N 0.29 0.45 -0.37 4.17 1.57 -1.21 -0.82 116.57 120.65 1u17 h LYS 151 Ca 0.04 -0.21 0.03 0.00 -1.87 0.00 0.00 60.65 58.64 1u17 h LYS 151 Cb 0.69 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 1u17 h LYS 151 CO 0.05 0.75 0.18 0.78 -0.57 0.00 0.00 179.45 180.64 1u17 h GLY 152 N 1.10 0.49 1.18 3.86 0.00 -0.38 -1.38 103.07 107.94 1u17 h GLY 152 Ca 0.04 -0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.26 1u17 h GLY 152 CO 0.07 0.09 0.55 0.00 0.00 0.00 0.00 176.54 177.25 1u17 h ALA 153 N 1.20 1.40 -0.05 3.60 0.00 -0.72 -0.46 119.26 124.23 1u17 h ALA 153 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1u17 h ALA 153 Cb 0.07 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1u17 h ALA 153 CO -0.12 0.56 0.03 0.28 0.00 0.00 0.00 179.25 180.00 1u17 h VAL 154 N 1.14 1.03 -0.37 0.00 2.07 -0.68 -1.38 116.25 118.05 1u17 h VAL 154 Ca 0.31 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.82 1u17 h VAL 154 Cb -0.13 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 1u17 h VAL 154 CO -0.07 0.02 0.07 0.74 0.02 0.00 0.00 177.57 178.36 1u17 h THR 155 N 0.05 0.81 0.00 2.57 2.02 -0.98 -2.35 112.91 115.03 1u17 h THR 155 Ca 0.02 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1u17 h THR 155 Cb 0.01 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1u17 h THR 155 CO -0.00 0.04 -0.01 0.00 0.37 0.00 0.00 175.52 175.91 1u17 h ALA 156 N 1.28 1.14 -0.25 6.16 0.00 -0.85 0.56 119.26 127.29 1u17 h ALA 156 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1u17 h ALA 156 Cb 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1u17 h ALA 156 CO -0.23 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.04 1u17 n ALA 157 N -2.15 2.49 -2.75 0.00 0.00 -0.54 -4.92 120.51 112.63 1u17 n ALA 157 Ca -0.02 -0.56 -0.19 0.00 0.00 0.00 0.00 53.44 52.67 1u17 n ALA 157 Cb 0.12 -1.04 0.02 0.00 0.00 0.00 0.00 19.45 18.55 1u17 n ALA 157 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1u17 n SER 158 N 0.39 -5.40 -4.68 0.00 7.64 0.19 -5.02 113.62 106.75 1u17 n SER 158 Ca 0.14 -0.18 -0.23 0.00 1.01 0.00 0.00 58.87 59.60 1u17 n SER 158 Cb 0.31 -4.29 -0.07 0.00 -1.01 0.00 0.00 64.21 59.14 1u17 n SER 158 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1u17 s LEU 159 N -5.58 3.19 -0.27 -3.43 1.43 -0.93 -5.05 118.68 108.05 1u17 s LEU 159 Ca 0.19 -0.74 -0.05 0.00 -1.03 0.00 0.00 54.13 52.50 1u17 s LEU 159 Cb -0.08 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.47 1u17 s LEU 159 CO 0.24 -0.15 0.02 -0.54 0.23 0.00 0.00 176.35 176.15 1u17 s LYS 160 N -3.75 3.05 0.50 1.70 -0.14 -1.26 -4.10 119.74 115.75 1u17 s LYS 160 Ca 0.34 -0.86 0.26 0.00 -1.36 0.00 0.00 55.97 54.35 1u17 s LYS 160 Cb -0.04 -3.21 1.35 0.00 -1.68 0.00 0.00 37.83 34.26 1u17 s LYS 160 CO 0.21 -0.40 1.92 0.35 -0.76 0.00 0.00 175.35 176.67 1u17 h PHE 161 N 8.15 0.14 0.00 3.18 3.57 -1.93 0.92 116.94 130.97 1u17 h PHE 161 Ca -0.33 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.17 1u17 h PHE 161 Cb 1.12 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1u17 h PHE 161 CO 0.60 0.04 0.00 0.66 -2.23 0.00 0.00 178.31 177.38 1u17 h SER 162 N 0.11 0.00 1.14 0.41 4.64 -2.03 -0.72 113.55 117.09 1u17 h SER 162 Ca 0.38 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1u17 h SER 162 Cb 1.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1u17 h SER 162 CO -0.05 0.00 -0.02 0.44 -0.87 0.00 0.00 176.83 176.33 1u17 h ASP 163 N 0.00 0.00 -4.06 4.97 3.32 -1.23 -3.46 116.42 115.96 1u17 h ASP 163 Ca 0.00 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 1u17 h ASP 163 Cb 0.39 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.96 1u17 h ASP 163 CO 0.00 0.02 0.39 -0.36 -1.72 0.00 0.00 179.24 177.58 1u17 s PHE 164 N -3.61 3.00 -0.10 4.55 0.40 -0.28 -4.86 117.98 117.08 1u17 s PHE 164 Ca 0.02 1.58 -0.15 0.00 -0.60 0.00 0.00 56.93 57.78 1u17 s PHE 164 Cb 0.09 -3.10 -0.05 0.00 0.51 0.00 0.00 43.02 40.47 1u17 s PHE 164 CO 0.57 -0.88 0.38 0.42 0.70 0.00 0.00 175.22 176.41 1u17 s ILE 165 N -1.92 5.20 0.02 0.64 -1.09 0.89 -4.83 121.20 120.11 1u17 s ILE 165 Ca 0.67 0.74 -0.16 0.00 -2.23 0.00 0.00 60.65 59.67 1u17 s ILE 165 Cb -0.18 -3.70 -0.06 0.00 -1.58 0.00 0.00 42.46 36.94 1u17 s ILE 165 CO 0.21 0.43 0.46 -0.55 -1.23 0.00 0.00 174.94 174.26 1u17 s SER 166 N 0.01 6.88 0.00 3.58 0.15 -1.26 -0.95 113.70 122.10 1u17 s SER 166 Ca 0.21 1.05 0.22 0.00 0.70 0.00 0.00 55.95 58.14 1u17 s SER 166 Cb -0.15 -2.28 0.69 0.00 -1.71 0.00 0.00 66.02 62.57 1u17 s SER 166 CO 0.09 0.31 1.53 0.35 1.20 0.00 0.00 173.24 176.71 1u17 n THR 167 N 1.76 0.22 -0.23 6.45 -2.24 0.13 -4.65 114.28 115.73 1u17 n THR 167 Ca -0.13 -0.42 -0.03 0.00 -2.27 0.00 0.00 64.05 61.20 1u17 n THR 167 Cb 0.52 0.58 0.16 0.00 -2.10 0.00 0.00 70.33 69.49 1u17 n THR 167 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1u17 h LYS 168 N 2.84 1.04 -0.74 -0.78 3.64 -1.93 -2.59 116.57 118.06 1u17 h LYS 168 Ca 0.00 -0.15 -0.40 0.00 -1.27 0.00 0.00 60.65 58.83 1u17 h LYS 168 Cb 0.62 -0.19 -0.23 0.00 -0.41 0.00 0.00 32.23 32.01 1u17 h LYS 168 CO 0.00 0.81 0.33 -0.25 -2.27 0.00 0.00 179.45 178.07 1u17 n ASP 169 N -4.32 3.61 -0.97 4.20 8.00 -1.26 -4.59 116.55 121.22 1u17 n ASP 169 Ca 0.07 -3.71 0.11 0.00 0.71 0.00 0.00 54.79 51.97 1u17 n ASP 169 Cb 0.14 -0.76 0.27 0.00 -0.02 0.00 0.00 41.12 40.75 1u17 n ASP 169 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1u17 n ASN 170 N -1.11 2.88 -3.81 -2.24 4.05 -0.98 -4.94 115.26 109.11 1u17 n ASN 170 Ca 0.49 -1.92 -0.25 0.00 0.45 0.00 0.00 54.58 53.35 1u17 n ASN 170 Cb 1.32 -0.24 0.02 0.00 1.23 0.00 0.00 39.78 42.11 1u17 n ASN 170 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1u17 n LYS 171 N 1.11 -4.87 -2.11 1.20 5.02 -1.26 -4.73 118.16 112.51 1u17 n LYS 171 Ca 0.18 0.58 -0.40 0.00 -2.02 0.00 0.00 58.31 56.65 1u17 n LYS 171 Cb 0.51 -5.19 -0.02 0.00 -0.02 0.00 0.00 35.03 30.30 1u17 n LYS 171 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1u17 s GLU 173 N -1.85 1.18 0.18 0.00 0.41 -1.26 -5.16 118.70 112.20 1u17 s GLU 173 Ca 0.50 -0.75 0.11 0.00 -0.41 0.00 0.00 54.97 54.42 1u17 s GLU 173 Cb -0.39 -1.20 -0.04 0.00 -1.78 0.00 0.00 34.13 30.71 1u17 s GLU 173 CO 0.52 0.31 -0.25 0.71 -0.49 0.00 0.00 175.26 176.07 1u17 s TYR 174 N -0.67 2.31 -0.62 1.61 1.51 -1.26 -4.84 117.35 115.38 1u17 s TYR 174 Ca 0.05 -0.36 0.05 0.00 -1.01 0.00 0.00 57.07 55.79 1u17 s TYR 174 Cb -0.08 -1.17 0.17 0.00 -0.11 0.00 0.00 41.96 40.78 1u17 s TYR 174 CO 0.01 0.46 0.46 -3.47 -1.11 0.00 0.00 175.55 171.90 1u17 n ASP 175 N 0.43 2.04 0.11 2.29 2.03 -1.26 -4.94 116.55 117.26 1u17 n ASP 175 Ca -0.14 -2.98 -0.01 0.00 0.52 0.00 0.00 54.79 52.18 1u17 n ASP 175 Cb 0.55 -0.70 0.27 0.00 -0.72 0.00 0.00 41.12 40.52 1u17 n ASP 175 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1u17 h ASN 176 N 5.42 0.20 0.18 1.67 -0.26 -1.99 -2.42 115.58 118.37 1u17 h ASN 176 Ca 0.18 -0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.84 1u17 h ASN 176 Cb 0.79 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 38.00 1u17 h ASN 176 CO 0.62 0.55 -0.09 0.58 -1.06 0.00 0.00 177.43 178.03 1u17 h VAL 177 N 0.17 0.82 -0.70 2.81 2.07 -1.99 -0.57 116.25 118.86 1u17 h VAL 177 Ca 0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 1u17 h VAL 177 Cb 0.73 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1u17 h VAL 177 CO 0.05 0.00 0.33 0.28 0.02 0.00 0.00 177.57 178.26 1u17 h SER 178 N -0.25 0.91 -0.48 0.57 0.02 -1.86 0.17 113.55 112.63 1u17 h SER 178 Ca -0.02 -0.13 0.03 0.00 -0.84 0.00 0.00 61.79 60.82 1u17 h SER 178 Cb 0.19 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 1u17 h SER 178 CO 0.04 0.79 0.27 -0.07 -1.14 0.00 0.00 176.83 176.72 1u17 h LEU 179 N 0.97 0.41 -0.62 5.07 3.38 -1.23 0.30 115.31 123.60 1u17 h LEU 179 Ca 0.24 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.10 1u17 h LEU 179 Cb 0.12 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1u17 h LEU 179 CO -0.03 0.29 -0.23 0.11 0.09 0.00 0.00 178.44 178.68 1u17 h LYS 180 N 0.53 0.84 0.00 1.13 1.57 -0.83 -3.04 116.57 116.78 1u17 h LYS 180 Ca 0.20 -0.35 -0.12 0.00 -1.87 0.00 0.00 60.65 58.51 1u17 h LYS 180 Cb 0.06 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1u17 h LYS 180 CO -0.11 0.99 -0.57 0.66 -0.57 0.00 0.00 179.45 179.84 1u17 h SER 181 N 0.73 0.00 -0.02 0.86 4.64 -0.54 -2.77 113.55 116.45 1u17 h SER 181 Ca 0.10 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.42 1u17 h SER 181 Cb 0.76 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1u17 h SER 181 CO 0.06 0.57 0.13 -0.07 -0.87 0.00 0.00 176.83 176.65 1u17 h LEU 182 N 0.00 0.00 -2.33 5.97 3.38 -0.82 -2.67 115.31 118.84 1u17 h LEU 182 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1u17 h LEU 182 Cb 1.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 1u17 h LEU 182 CO 0.07 0.00 -0.01 -0.07 0.09 0.00 0.00 178.44 178.53 1u17 h LEU 183 N 0.00 0.00 -2.44 1.67 3.38 -1.52 -1.16 115.31 115.24 1u17 h LEU 183 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1u17 h LEU 183 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1u17 h LEU 183 CO -0.00 0.01 0.00 0.35 0.09 0.00 0.00 178.44 178.88 1u17 n THR 184 N -4.02 0.93 -0.07 0.22 -2.24 -1.01 -4.66 114.28 103.43 1u17 n THR 184 Ca -0.03 -0.89 0.00 0.00 -2.27 0.00 0.00 64.05 60.86 1u17 n THR 184 Cb 0.09 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1u17 n THR 184 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79