#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uk3 n GLY 2 N 0.00 3.33 3.69 0.46 0.00 -1.26 -5.15 105.19 106.26 1uk3 n GLY 2 Ca 0.00 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.21 1uk3 n GLY 2 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1uk3 s PHE 3 N 0.00 3.04 -0.28 1.61 5.36 -1.26 -5.11 117.98 121.33 1uk3 s PHE 3 Ca 0.00 0.03 -0.20 0.00 -0.96 0.00 0.00 56.93 55.80 1uk3 s PHE 3 Cb 0.00 -1.61 0.11 0.00 -0.34 0.00 0.00 43.02 41.18 1uk3 s PHE 3 CO 0.00 0.47 0.86 0.50 -1.46 0.00 0.00 175.22 175.59 1uk3 s ARG 4 N -1.92 0.60 0.17 10.12 3.52 -1.26 -5.01 118.95 125.17 1uk3 s ARG 4 Ca 0.23 0.87 -0.32 0.00 -0.13 0.00 0.00 55.73 56.38 1uk3 s ARG 4 Cb -0.12 0.20 -0.10 0.00 -1.56 0.00 0.00 34.95 33.37 1uk3 s ARG 4 CO 0.14 -0.10 1.63 0.21 -0.81 0.00 0.00 175.30 176.37 1uk3 s LYS 5 N 0.96 4.19 0.08 5.12 2.20 -1.26 -5.00 119.74 126.03 1uk3 s LYS 5 Ca -0.04 2.44 0.06 0.00 -0.36 0.00 0.00 55.97 58.06 1uk3 s LYS 5 Cb -0.05 -3.18 -0.03 0.00 -1.51 0.00 0.00 37.83 33.07 1uk3 s LYS 5 CO -0.11 -0.66 -0.15 -1.64 -0.36 0.00 0.00 175.35 172.43 1uk3 s MET 6 N 1.31 0.88 0.32 4.03 -1.94 -1.26 -5.01 119.30 117.63 1uk3 s MET 6 Ca 0.72 -1.03 0.07 0.00 -1.71 0.00 0.00 55.69 53.74 1uk3 s MET 6 Cb -0.45 -0.89 -0.02 0.00 2.01 0.00 0.00 34.83 35.48 1uk3 s MET 6 CO 0.32 0.19 0.36 0.00 -0.01 0.00 0.00 175.02 175.88 1uk3 s ALA 7 N -1.43 3.99 0.35 3.03 0.00 -1.26 -4.71 121.76 121.73 1uk3 s ALA 7 Ca 0.01 -1.52 -0.25 0.00 0.00 0.00 0.00 51.96 50.20 1uk3 s ALA 7 Cb -0.09 -1.43 -0.10 0.00 0.00 0.00 0.00 23.12 21.50 1uk3 s ALA 7 CO 0.03 0.03 0.96 -0.06 0.00 0.00 0.00 175.76 176.72 1uk3 s PHE 8 N -2.21 3.57 0.14 0.00 0.08 -1.26 -4.96 117.98 113.35 1uk3 s PHE 8 Ca 0.41 1.74 -0.35 0.00 0.12 0.00 0.00 56.93 58.85 1uk3 s PHE 8 Cb -0.08 -2.95 -0.15 0.00 -0.57 0.00 0.00 43.02 39.27 1uk3 s PHE 8 CO 0.28 0.02 1.51 -2.30 -0.10 0.00 0.00 175.22 174.63 1uk3 n PRO 9 N 0.30 1.88 0.01 0.24 -0.02 -1.26 -4.84 135.00 131.30 1uk3 n PRO 9 Ca 0.03 0.68 0.13 0.00 -2.02 0.00 0.00 63.50 62.32 1uk3 n PRO 9 Cb 0.50 -2.41 0.48 0.00 -0.02 0.00 0.00 33.50 32.05 1uk3 n PRO 9 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1uk3 n SER 10 N 3.13 0.24 -0.13 2.55 3.41 -1.26 -4.48 113.62 117.08 1uk3 n SER 10 Ca 0.17 0.28 -0.03 0.00 -0.26 0.00 0.00 58.87 59.03 1uk3 n SER 10 Cb 0.26 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 63.90 1uk3 n SER 10 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uk3 n GLY 11 N 1.48 -1.96 0.30 5.00 0.00 -1.26 -0.05 105.19 108.69 1uk3 n GLY 11 Ca 0.06 0.58 0.20 0.00 0.00 0.00 0.00 46.02 46.86 1uk3 n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uk3 h LYS 12 N 0.00 0.00 0.01 1.61 1.57 -1.99 -2.24 116.57 115.53 1uk3 h LYS 12 Ca 0.05 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.51 1uk3 h LYS 12 Cb 0.12 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 1uk3 h LYS 12 CO -0.29 0.00 -1.88 0.28 -0.57 0.00 0.00 179.45 176.99 1uk3 n VAL 13 N -2.87 1.59 0.18 0.50 0.31 0.92 -4.00 118.33 114.97 1uk3 n VAL 13 Ca -0.03 -0.78 0.05 0.00 -0.01 0.00 0.00 64.34 63.57 1uk3 n VAL 13 Cb 0.09 -1.03 0.52 0.00 -0.91 0.00 0.00 33.84 32.50 1uk3 n VAL 13 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1uk3 h GLU 14 N 0.01 0.15 -0.27 5.55 5.08 -0.67 -1.21 114.58 123.22 1uk3 h GLU 14 Ca -0.36 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1uk3 h GLU 14 Cb 2.05 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.28 1uk3 h GLU 14 CO 0.07 0.18 0.00 0.41 -1.00 0.00 0.00 179.01 178.67 1uk3 n GLY 15 N -1.27 -0.32 0.00 -3.84 0.00 -1.18 -3.02 105.19 95.56 1uk3 n GLY 15 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1uk3 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uk3 s MET 17 N -0.31 4.43 0.34 0.00 -1.94 -1.17 0.41 119.30 121.06 1uk3 s MET 17 Ca 0.00 1.09 0.04 0.00 -1.71 0.00 0.00 55.69 55.11 1uk3 s MET 17 Cb 0.00 -2.91 -0.02 0.00 2.01 0.00 0.00 34.83 33.91 1uk3 s MET 17 CO 0.00 0.38 0.36 1.33 -0.01 0.00 0.00 175.02 177.08 1uk3 n VAL 18 N 0.80 0.00 -5.15 -6.03 0.24 -0.89 -4.66 118.33 102.64 1uk3 n VAL 18 Ca -0.01 -2.21 -0.32 0.00 -2.04 0.00 0.00 64.34 59.76 1uk3 n VAL 18 Cb 0.50 1.18 -0.16 0.00 -1.47 0.00 0.00 33.84 33.90 1uk3 n VAL 18 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1uk3 s GLN 19 N -3.15 2.69 -0.12 7.34 0.74 -0.97 -1.51 119.66 124.67 1uk3 s GLN 19 Ca 0.36 -0.85 0.02 0.00 0.05 0.00 0.00 55.36 54.94 1uk3 s GLN 19 Cb 0.01 -2.26 0.01 0.00 1.10 0.00 0.00 33.01 31.87 1uk3 s GLN 19 CO 0.26 0.38 -0.17 0.08 -0.55 0.00 0.00 175.29 175.28 1uk3 s VAL 20 N -0.13 1.68 0.00 1.34 1.01 0.07 -0.95 120.40 123.43 1uk3 s VAL 20 Ca -0.04 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.26 1uk3 s VAL 20 Cb -0.14 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 1uk3 s VAL 20 CO 0.04 0.48 -0.21 -0.89 0.00 0.00 0.00 175.10 174.52 1uk3 s THR 21 N 1.00 1.66 -0.04 3.92 2.01 0.11 -1.43 115.64 122.87 1uk3 s THR 21 Ca -0.05 -0.99 -0.02 0.00 0.31 0.00 0.00 61.69 60.94 1uk3 s THR 21 Cb -0.15 -1.40 0.03 0.00 0.01 0.00 0.00 72.50 70.99 1uk3 s THR 21 CO -0.03 0.38 0.07 0.00 -0.69 0.00 0.00 174.62 174.35 1uk3 n GLY 23 N 5.03 3.23 0.76 0.00 0.00 -1.26 -1.20 105.19 111.74 1uk3 n GLY 23 Ca -0.09 -0.22 0.07 0.00 0.00 0.00 0.00 46.02 45.78 1uk3 n GLY 23 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1uk3 n THR 24 N 0.00 0.52 -4.25 2.61 5.66 -1.26 -4.91 114.28 112.66 1uk3 n THR 24 Ca 0.00 -0.54 -0.35 0.00 -3.05 0.00 0.00 64.05 60.11 1uk3 n THR 24 Cb 0.00 0.30 -0.09 0.00 -1.55 0.00 0.00 70.33 68.99 1uk3 n THR 24 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1uk3 s THR 25 N -1.48 4.50 -0.04 1.09 2.01 -0.34 -5.11 115.64 116.27 1uk3 s THR 25 Ca 0.29 -0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.13 1uk3 s THR 25 Cb 0.15 -2.93 0.02 0.00 0.01 0.00 0.00 72.50 69.75 1uk3 s THR 25 CO 0.20 0.57 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.76 1uk3 s THR 26 N -0.54 0.56 0.23 -0.82 2.01 -1.26 -1.60 115.64 114.23 1uk3 s THR 26 Ca 0.10 -0.16 -0.03 0.00 0.31 0.00 0.00 61.69 61.91 1uk3 s THR 26 Cb -0.12 -0.57 0.01 0.00 0.01 0.00 0.00 72.50 71.83 1uk3 s THR 26 CO 0.02 0.22 0.35 0.00 -0.69 0.00 0.00 174.62 174.52 1uk3 n LEU 27 N 3.91 0.00 -4.78 4.42 -0.00 -0.52 -4.87 117.00 115.16 1uk3 n LEU 27 Ca -0.24 -1.81 -0.38 0.00 -0.00 0.00 0.00 56.01 53.58 1uk3 n LEU 27 Cb 0.51 1.78 -0.06 0.00 -0.00 0.00 0.00 43.42 45.65 1uk3 n LEU 27 CO 0.24 -0.44 0.62 0.20 -0.00 0.00 0.00 177.39 178.00 1uk3 s ASN 28 N -2.39 7.38 0.23 1.45 0.01 0.23 -0.75 114.94 121.11 1uk3 s ASN 28 Ca 0.17 1.80 0.09 0.00 -0.71 0.00 0.00 52.86 54.22 1uk3 s ASN 28 Cb -0.01 -2.56 -0.05 0.00 0.41 0.00 0.00 41.25 39.04 1uk3 s ASN 28 CO 0.12 0.01 -0.16 -0.83 -1.51 0.00 0.00 177.10 174.74 1uk3 s GLY 29 N -1.50 1.60 -0.26 0.66 0.00 -0.57 -4.28 107.32 102.97 1uk3 s GLY 29 Ca 0.47 -1.74 0.01 0.00 0.00 0.00 0.00 44.72 43.45 1uk3 s GLY 29 CO 0.25 -1.83 -0.08 -2.27 0.00 0.00 0.00 173.10 169.17 1uk3 s LEU 30 N -3.39 3.35 -0.41 0.66 1.98 0.14 -2.09 118.68 118.92 1uk3 s LEU 30 Ca 0.25 -1.17 -0.17 0.00 -2.89 0.00 0.00 54.13 50.16 1uk3 s LEU 30 Cb -0.02 -1.60 0.02 0.00 0.66 0.00 0.00 46.19 45.24 1uk3 s LEU 30 CO 0.10 -0.17 0.40 0.86 -1.89 0.00 0.00 176.35 175.65 1uk3 s TRP 31 N 1.21 3.19 -0.17 5.38 -0.00 0.17 -0.25 118.94 128.46 1uk3 s TRP 31 Ca -0.05 -0.38 -0.01 0.00 -0.00 0.00 0.00 56.10 55.67 1uk3 s TRP 31 Cb -0.18 -2.81 0.04 0.00 -0.00 0.00 0.00 33.47 30.52 1uk3 s TRP 31 CO -0.05 -0.65 -0.05 -0.51 -0.00 0.00 0.00 176.95 175.69 1uk3 s LEU 32 N 2.03 1.61 0.00 5.86 1.43 -0.38 -4.64 118.68 124.60 1uk3 s LEU 32 Ca 0.11 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 1uk3 s LEU 32 Cb -0.17 -0.90 0.00 0.00 0.03 0.00 0.00 46.19 45.15 1uk3 s LEU 32 CO 0.13 -0.19 0.00 0.47 0.23 0.00 0.00 176.35 176.99 1uk3 n ASP 33 N 4.88 0.00 -1.42 2.29 8.00 -1.26 -2.31 116.55 126.73 1uk3 n ASP 33 Ca -0.12 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.30 1uk3 n ASP 33 Cb 0.48 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.63 1uk3 n ASP 33 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1uk3 n ASP 34 N -1.06 3.34 -4.16 -2.24 3.85 -1.26 -2.31 116.55 112.70 1uk3 n ASP 34 Ca 0.00 -2.54 -0.20 0.00 -0.71 0.00 0.00 54.79 51.34 1uk3 n ASP 34 Cb 0.00 -0.63 -0.13 0.00 -1.35 0.00 0.00 41.12 39.01 1uk3 n ASP 34 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1uk3 s THR 35 N -1.10 1.16 -0.10 2.12 2.01 -0.98 -0.42 115.64 118.33 1uk3 s THR 35 Ca 0.19 -1.10 0.03 0.00 0.31 0.00 0.00 61.69 61.12 1uk3 s THR 35 Cb 0.16 -1.07 0.01 0.00 0.01 0.00 0.00 72.50 71.61 1uk3 s THR 35 CO 0.03 -0.04 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.05 1uk3 s VAL 36 N -0.96 1.70 -0.02 3.82 1.01 -0.54 -1.24 120.40 124.16 1uk3 s VAL 36 Ca 0.01 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 1uk3 s VAL 36 Cb -0.08 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1uk3 s VAL 36 CO 0.02 0.48 0.05 -0.31 0.00 0.00 0.00 175.10 175.34 1uk3 s TYR 37 N 0.64 3.24 -0.06 5.22 2.02 0.65 -2.09 117.35 126.97 1uk3 s TYR 37 Ca -0.13 0.19 -0.31 0.00 -0.37 0.00 0.00 57.07 56.45 1uk3 s TYR 37 Cb -0.16 -1.74 0.11 0.00 -0.40 0.00 0.00 41.96 39.77 1uk3 s TYR 37 CO 0.04 0.53 1.04 0.00 -1.57 0.00 0.00 175.55 175.59 1uk3 n PRO 39 N -0.22 2.42 0.21 0.00 -0.02 -1.26 -0.16 135.00 135.95 1uk3 n PRO 39 Ca -0.05 0.85 0.15 0.00 -2.02 0.00 0.00 63.50 62.43 1uk3 n PRO 39 Cb 0.60 -2.54 0.57 0.00 -0.02 0.00 0.00 33.50 32.12 1uk3 n PRO 39 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1uk3 h ARG 40 N 3.48 0.00 0.00 -0.52 0.11 -1.44 -2.95 114.38 113.05 1uk3 h ARG 40 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.61 1uk3 h ARG 40 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 1uk3 h ARG 40 CO 0.69 0.00 0.00 -2.39 0.10 0.00 0.00 179.97 178.37 1uk3 n HIS 41 N -2.69 0.00 0.19 4.08 1.44 -1.26 -2.28 115.22 114.70 1uk3 n HIS 41 Ca 0.02 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.79 1uk3 n HIS 41 Cb 0.29 0.00 0.34 0.00 0.12 0.00 0.00 29.99 30.74 1uk3 n HIS 41 CO 0.00 0.00 0.00 -0.24 -2.81 0.00 0.00 176.34 173.29 1uk3 h VAL 42 N 0.00 0.83 -0.18 0.61 3.04 -1.91 -2.62 116.25 116.01 1uk3 h VAL 42 Ca 0.00 -1.47 0.00 0.00 -1.01 0.00 0.00 66.70 64.22 1uk3 h VAL 42 Cb 0.00 1.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.20 1uk3 h VAL 42 CO 0.00 0.35 0.00 2.30 -1.01 0.00 0.00 177.57 179.21 1uk3 n ILE 43 N -3.50 0.24 -3.65 3.17 -5.35 -0.97 -4.57 119.36 104.73 1uk3 n ILE 43 Ca -0.00 -0.31 -0.36 0.00 -0.27 0.00 0.00 62.75 61.81 1uk3 n ILE 43 Cb 0.50 0.23 -0.07 0.00 -1.74 0.00 0.00 39.64 38.55 1uk3 n ILE 43 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1uk3 s THR 45 N 0.29 4.92 0.00 0.00 2.01 -1.26 -4.93 115.64 116.67 1uk3 s THR 45 Ca 0.12 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.34 1uk3 s THR 45 Cb -0.12 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.64 1uk3 s THR 45 CO 0.01 -0.29 0.00 0.00 -0.69 0.00 0.00 174.62 173.65 1uk3 n ALA 46 N 5.08 0.00 0.19 7.40 0.00 -1.26 -0.60 120.51 131.32 1uk3 n ALA 46 Ca -0.11 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.44 1uk3 n ALA 46 Cb 0.46 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.04 1uk3 n ALA 46 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1uk3 h GLU 47 N 0.00 0.00 0.00 0.00 9.09 -2.04 -3.27 114.58 118.36 1uk3 h GLU 47 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1uk3 h GLU 47 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1uk3 h GLU 47 CO 0.00 0.04 0.00 -0.25 0.05 0.00 0.00 179.01 178.85 1uk3 n ASP 48 N -3.04 0.00 0.22 3.06 10.43 0.23 -3.57 116.55 123.89 1uk3 n ASP 48 Ca 0.03 -0.78 0.11 0.00 2.57 0.00 0.00 54.79 56.73 1uk3 n ASP 48 Cb 0.55 -0.06 0.36 0.00 1.84 0.00 0.00 41.12 43.82 1uk3 n ASP 48 CO 0.00 0.00 0.00 0.24 -1.07 0.00 0.00 177.20 176.37 1uk3 h MET 49 N 0.00 0.00 -1.00 -1.24 2.86 -1.79 -2.88 114.93 110.88 1uk3 h MET 49 Ca 0.00 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.79 1uk3 h MET 49 Cb 0.06 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.62 1uk3 h MET 49 CO 0.00 0.14 0.62 -0.07 1.06 0.00 0.00 176.91 178.66 1uk3 h LEU 50 N 0.00 0.86 -5.07 1.22 3.38 -1.83 -1.87 115.31 111.99 1uk3 h LEU 50 Ca -0.00 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1uk3 h LEU 50 Cb 0.87 -0.10 -0.16 0.00 0.09 0.00 0.00 40.66 41.36 1uk3 h LEU 50 CO 0.02 0.40 -0.23 0.21 0.09 0.00 0.00 178.44 178.93 1uk3 s ASN 51 N -5.60 -0.64 0.45 -0.43 2.47 -1.23 -4.35 114.94 105.62 1uk3 s ASN 51 Ca -0.12 -0.69 -0.13 0.00 0.42 0.00 0.00 52.86 52.35 1uk3 s ASN 51 Cb 0.23 0.83 -0.07 0.00 -1.45 0.00 0.00 41.25 40.80 1uk3 s ASN 51 CO 0.81 -0.03 0.86 -2.16 -3.72 0.00 0.00 177.10 172.85 1uk3 s PRO 52 N 1.10 3.83 -0.69 0.43 0.04 -1.09 -5.03 135.00 133.60 1uk3 s PRO 52 Ca 0.24 0.66 0.04 0.00 0.04 0.00 0.00 61.00 61.98 1uk3 s PRO 52 Cb 0.08 -2.29 0.17 0.00 0.04 0.00 0.00 34.50 32.50 1uk3 s PRO 52 CO -0.10 -0.14 0.48 1.21 0.04 0.00 0.00 177.00 178.49 1uk3 s ASN 53 N -3.17 4.83 0.46 6.66 3.84 -1.26 -4.95 114.94 121.35 1uk3 s ASN 53 Ca 0.54 -3.72 0.29 0.00 0.21 0.00 0.00 52.86 50.19 1uk3 s ASN 53 Cb -0.10 -1.66 1.37 0.00 -0.55 0.00 0.00 41.25 40.32 1uk3 s ASN 53 CO 0.32 -0.11 1.71 1.88 -2.79 0.00 0.00 177.10 178.11 1uk3 h TYR 54 N 5.61 0.40 -0.74 0.43 -1.99 -1.98 0.40 116.97 119.10 1uk3 h TYR 54 Ca 0.11 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.86 1uk3 h TYR 54 Cb 0.78 -0.11 -0.04 0.00 2.00 0.00 0.00 36.73 39.36 1uk3 h TYR 54 CO 0.66 -0.05 0.45 0.93 -0.00 0.00 0.00 178.16 180.15 1uk3 h GLU 55 N 0.16 0.99 -0.05 4.88 4.39 -1.99 0.02 114.58 122.99 1uk3 h GLU 55 Ca 0.70 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 60.25 1uk3 h GLU 55 Cb 2.26 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 30.70 1uk3 h GLU 55 CO -0.25 0.70 -0.20 0.22 -1.16 0.00 0.00 179.01 178.31 1uk3 h ASP 56 N 1.00 0.26 -0.92 1.42 1.82 -0.66 -3.01 116.42 116.34 1uk3 h ASP 56 Ca 0.26 -0.64 -0.01 0.00 -0.39 0.00 0.00 57.03 56.26 1uk3 h ASP 56 Cb -0.05 -0.08 -0.04 0.00 0.68 0.00 0.00 39.33 39.84 1uk3 h ASP 56 CO -0.05 0.86 0.55 -0.07 -1.61 0.00 0.00 179.24 178.92 1uk3 h LEU 57 N -0.32 1.11 -0.93 2.28 3.38 -1.24 -3.01 115.31 116.59 1uk3 h LEU 57 Ca -0.01 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1uk3 h LEU 57 Cb 0.85 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1uk3 h LEU 57 CO 0.04 0.86 -0.06 0.25 0.09 0.00 0.00 178.44 179.62 1uk3 h LEU 58 N 1.27 0.70 -0.87 1.67 5.85 -1.04 -2.77 115.31 120.12 1uk3 h LEU 58 Ca 0.33 -0.18 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 1uk3 h LEU 58 Cb -0.04 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1uk3 h LEU 58 CO -0.06 0.80 -0.47 -0.29 -0.34 0.00 0.00 178.44 178.08 1uk3 h ILE 59 N 0.66 1.11 0.00 4.05 2.10 -1.40 -2.59 117.51 121.44 1uk3 h ILE 59 Ca 0.12 -1.75 0.00 0.00 1.08 0.00 0.00 64.86 64.31 1uk3 h ILE 59 Cb 0.50 2.01 0.00 0.00 -1.09 0.00 0.00 36.82 38.24 1uk3 h ILE 59 CO 0.03 0.46 0.00 0.54 -1.08 0.00 0.00 178.15 178.10 1uk3 n ARG 60 N -3.65 0.86 -3.91 2.19 1.74 -1.04 -4.80 116.66 108.05 1uk3 n ARG 60 Ca -0.01 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.97 1uk3 n ARG 60 Cb 0.55 -1.27 -0.10 0.00 -1.02 0.00 0.00 32.46 30.62 1uk3 n ARG 60 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1uk3 s LYS 61 N -0.49 0.44 0.49 5.56 1.02 -0.98 -5.08 119.74 120.71 1uk3 s LYS 61 Ca 0.00 -0.49 0.06 0.00 0.02 0.00 0.00 55.97 55.56 1uk3 s LYS 61 Cb 0.00 0.17 0.00 0.00 -0.52 0.00 0.00 37.83 37.49 1uk3 s LYS 61 CO 0.00 -0.10 0.31 -1.54 -0.92 0.00 0.00 175.35 173.10 1uk3 s SER 62 N -1.45 4.59 0.36 2.83 1.04 -1.26 -4.97 113.70 114.83 1uk3 s SER 62 Ca -0.15 -1.18 0.03 0.00 0.48 0.00 0.00 55.95 55.14 1uk3 s SER 62 Cb -0.08 0.08 0.68 0.00 0.10 0.00 0.00 66.02 66.80 1uk3 s SER 62 CO 0.00 -0.88 2.01 0.78 0.98 0.00 0.00 173.24 176.13 1uk3 h ASN 63 N 1.01 0.68 0.27 7.02 2.35 -1.94 0.34 115.58 125.30 1uk3 h ASN 63 Ca -0.40 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 1uk3 h ASN 63 Cb 1.29 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.49 1uk3 h ASN 63 CO 0.62 0.49 0.00 1.41 -1.65 0.00 0.00 177.43 178.30 1uk3 n HIS 64 N -4.45 0.00 0.61 1.19 8.25 -1.26 -1.58 115.22 117.98 1uk3 n HIS 64 Ca 0.06 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.65 1uk3 n HIS 64 Cb 0.06 -0.44 0.41 0.00 1.12 0.00 0.00 29.99 31.14 1uk3 n HIS 64 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1uk3 n SER 65 N -1.44 0.82 -4.58 0.41 7.64 0.11 -4.81 113.62 111.77 1uk3 n SER 65 Ca 0.03 0.58 -0.34 0.00 1.01 0.00 0.00 58.87 60.15 1uk3 n SER 65 Cb 0.10 -0.80 -0.11 0.00 -1.01 0.00 0.00 64.21 62.39 1uk3 n SER 65 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1uk3 s PHE 66 N -3.11 3.11 -0.32 1.43 0.08 -0.61 -4.31 117.98 114.24 1uk3 s PHE 66 Ca 0.10 -0.07 0.01 0.00 0.12 0.00 0.00 56.93 57.09 1uk3 s PHE 66 Cb 0.12 -1.94 0.08 0.00 -0.57 0.00 0.00 43.02 40.71 1uk3 s PHE 66 CO 0.59 0.15 0.03 -1.17 -0.10 0.00 0.00 175.22 174.72 1uk3 s LEU 67 N 0.02 4.35 0.00 -0.37 2.96 0.06 -4.78 118.68 120.93 1uk3 s LEU 67 Ca 0.02 -1.77 -0.00 0.00 -0.22 0.00 0.00 54.13 52.17 1uk3 s LEU 67 Cb -0.13 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 1uk3 s LEU 67 CO 0.02 -0.34 0.09 0.68 -1.32 0.00 0.00 176.35 175.48 1uk3 s VAL 68 N 1.07 4.76 -0.17 1.68 -7.23 -1.25 -0.71 120.40 118.55 1uk3 s VAL 68 Ca 0.02 -0.43 -0.04 0.00 -1.81 0.00 0.00 61.98 59.72 1uk3 s VAL 68 Cb -0.20 -3.19 0.06 0.00 0.56 0.00 0.00 36.38 33.61 1uk3 s VAL 68 CO -0.05 0.33 0.07 -1.10 -0.31 0.00 0.00 175.10 174.04 1uk3 s GLN 69 N -1.82 0.23 -1.10 4.82 -0.21 -0.13 -2.45 119.66 119.00 1uk3 s GLN 69 Ca 0.24 -0.15 -0.22 0.00 0.02 0.00 0.00 55.36 55.25 1uk3 s GLN 69 Cb -0.12 -1.83 0.03 0.00 1.00 0.00 0.00 33.01 32.10 1uk3 s GLN 69 CO 0.15 -0.64 1.64 0.00 -2.12 0.00 0.00 175.29 174.32 1uk3 s ALA 70 N 2.06 2.68 0.00 6.09 0.00 0.17 -2.29 121.76 130.47 1uk3 s ALA 70 Ca 0.01 -2.35 0.00 0.00 0.00 0.00 0.00 51.96 49.62 1uk3 s ALA 70 Cb -0.16 -4.58 0.00 0.00 0.00 0.00 0.00 23.12 18.38 1uk3 s ALA 70 CO -0.08 -3.81 0.00 0.41 0.00 0.00 0.00 175.76 172.28 1uk3 n GLY 71 N 6.36 1.74 0.02 0.00 0.00 -1.26 -2.28 105.19 109.77 1uk3 n GLY 71 Ca 0.40 0.08 -0.03 0.00 0.00 0.00 0.00 46.02 46.47 1uk3 n GLY 71 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1uk3 n ASN 72 N 6.57 3.76 -4.75 1.61 2.85 -1.26 -4.95 115.26 119.09 1uk3 n ASN 72 Ca 0.00 -0.01 -0.41 0.00 -0.11 0.00 0.00 54.58 54.05 1uk3 n ASN 72 Cb 0.00 0.40 -0.03 0.00 1.24 0.00 0.00 39.78 41.39 1uk3 n ASN 72 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1uk3 s VAL 73 N -2.11 3.21 -0.03 3.44 1.01 -0.97 -4.99 120.40 119.96 1uk3 s VAL 73 Ca -0.04 1.07 -0.14 0.00 0.00 0.00 0.00 61.98 62.87 1uk3 s VAL 73 Cb 0.02 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1uk3 s VAL 73 CO 0.17 0.20 0.38 -1.58 0.00 0.00 0.00 175.10 174.27 1uk3 s GLN 74 N -0.67 3.92 -0.01 2.72 0.74 -1.26 0.46 119.66 125.56 1uk3 s GLN 74 Ca 0.53 0.34 -0.05 0.00 0.05 0.00 0.00 55.36 56.23 1uk3 s GLN 74 Cb -0.36 -3.24 -0.04 0.00 1.10 0.00 0.00 33.01 30.46 1uk3 s GLN 74 CO 0.41 0.64 0.23 -0.51 -0.55 0.00 0.00 175.29 175.52 1uk3 s LEU 75 N -0.88 4.37 -0.15 3.68 1.02 -1.03 -4.90 118.68 120.80 1uk3 s LEU 75 Ca 0.23 0.49 -0.21 0.00 0.02 0.00 0.00 54.13 54.65 1uk3 s LEU 75 Cb -0.16 -2.62 -0.03 0.00 0.02 0.00 0.00 46.19 43.40 1uk3 s LEU 75 CO 0.12 0.27 0.64 -0.60 0.02 0.00 0.00 176.35 176.79 1uk3 s ARG 76 N -1.77 4.30 -0.26 1.70 3.52 -1.26 -4.40 118.95 120.78 1uk3 s ARG 76 Ca 0.27 0.69 -0.15 0.00 -0.13 0.00 0.00 55.73 56.40 1uk3 s ARG 76 Cb -0.13 -3.52 -0.04 0.00 -1.56 0.00 0.00 34.95 29.71 1uk3 s ARG 76 CO 0.16 -0.10 0.38 0.54 -0.81 0.00 0.00 175.30 175.47 1uk3 s VAL 77 N 1.41 5.18 -0.19 7.11 0.11 -1.26 -1.24 120.40 131.52 1uk3 s VAL 77 Ca 0.31 0.60 0.13 0.00 -2.93 0.00 0.00 61.98 60.09 1uk3 s VAL 77 Cb -0.16 -3.70 0.43 0.00 -1.53 0.00 0.00 36.38 31.41 1uk3 s VAL 77 CO 0.13 0.18 1.21 -0.38 -3.33 0.00 0.00 175.10 172.90 1uk3 n ILE 78 N 4.95 1.90 0.00 7.04 5.41 0.32 -4.61 119.36 134.37 1uk3 n ILE 78 Ca -0.08 -3.00 0.00 0.00 1.00 0.00 0.00 62.75 60.66 1uk3 n ILE 78 Cb 0.51 -0.11 0.00 0.00 -0.71 0.00 0.00 39.64 39.32 1uk3 n ILE 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1uk3 n GLY 79 N -0.84 2.52 3.22 7.39 0.00 -1.11 -4.88 105.19 111.50 1uk3 n GLY 79 Ca 0.19 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1uk3 n GLY 79 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1uk3 s HIS 80 N -1.29 -0.35 0.30 1.61 -3.43 -1.26 0.25 115.29 111.11 1uk3 s HIS 80 Ca 0.00 0.84 -0.11 0.00 -0.80 0.00 0.00 55.06 54.99 1uk3 s HIS 80 Cb 0.00 0.12 0.01 0.00 -1.43 0.00 0.00 32.58 31.28 1uk3 s HIS 80 CO 0.00 -0.20 0.54 -1.54 -2.00 0.00 0.00 174.74 171.54 1uk3 s SER 81 N 0.04 0.20 -0.11 7.38 1.04 -0.78 -5.01 113.70 116.46 1uk3 s SER 81 Ca -0.01 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.31 1uk3 s SER 81 Cb -0.03 0.66 0.02 0.00 0.10 0.00 0.00 66.02 66.77 1uk3 s SER 81 CO 0.01 -1.28 -0.10 -0.32 0.98 0.00 0.00 173.24 172.53 1uk3 s MET 82 N -3.48 1.75 -0.45 4.02 1.75 -1.26 -0.77 119.30 120.86 1uk3 s MET 82 Ca 0.23 -0.36 -0.02 0.00 -1.25 0.00 0.00 55.69 54.29 1uk3 s MET 82 Cb -0.02 -1.67 0.12 0.00 2.84 0.00 0.00 34.83 36.10 1uk3 s MET 82 CO 0.13 -0.20 0.24 -1.14 -0.65 0.00 0.00 175.02 173.40 1uk3 s GLN 83 N 1.44 2.08 8.00 4.11 0.74 -0.49 -5.00 119.66 130.55 1uk3 s GLN 83 Ca 0.01 -1.98 0.00 0.00 0.05 0.00 0.00 55.36 53.44 1uk3 s GLN 83 Cb -0.13 -3.59 0.00 0.00 1.10 0.00 0.00 33.01 30.39 1uk3 s GLN 83 CO -0.06 -1.09 0.00 0.09 -0.55 0.00 0.00 175.29 173.68 1uk3 n ASN 84 N 4.32 0.00 -0.69 6.67 3.02 -1.26 -1.38 115.26 125.94 1uk3 n ASN 84 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.65 1uk3 n ASN 84 Cb 0.40 0.00 0.32 0.00 -0.61 0.00 0.00 39.78 39.89 1uk3 n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uk3 s LEU 86 N -1.47 3.92 -0.11 0.00 1.43 -0.48 -1.22 118.68 120.75 1uk3 s LEU 86 Ca 0.32 0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 53.42 1uk3 s LEU 86 Cb 0.18 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 1uk3 s LEU 86 CO 0.26 0.17 0.05 -0.22 0.23 0.00 0.00 176.35 176.83 1uk3 s LEU 87 N -2.45 3.82 -0.32 1.79 0.20 0.77 -1.39 118.68 121.09 1uk3 s LEU 87 Ca 0.31 0.21 0.02 0.00 0.69 0.00 0.00 54.13 55.36 1uk3 s LEU 87 Cb -0.12 -1.91 0.10 0.00 -0.43 0.00 0.00 46.19 43.83 1uk3 s LEU 87 CO 0.23 0.34 0.06 -0.13 -0.29 0.00 0.00 176.35 176.56 1uk3 s ARG 88 N -0.65 1.28 -0.25 1.98 0.52 0.05 -2.97 118.95 118.91 1uk3 s ARG 88 Ca 0.11 -1.59 -0.16 0.00 -0.52 0.00 0.00 55.73 53.57 1uk3 s ARG 88 Cb -0.12 -2.82 -0.03 0.00 0.52 0.00 0.00 34.95 32.50 1uk3 s ARG 88 CO 0.02 -0.93 0.43 -0.51 0.02 0.00 0.00 175.30 174.33 1uk3 s LEU 89 N 1.14 4.07 -0.27 2.53 1.43 -0.89 -1.87 118.68 124.82 1uk3 s LEU 89 Ca 0.09 0.43 -0.25 0.00 -1.03 0.00 0.00 54.13 53.37 1uk3 s LEU 89 Cb -0.18 -2.53 -0.00 0.00 0.03 0.00 0.00 46.19 43.50 1uk3 s LEU 89 CO -0.13 -0.19 0.84 -0.75 0.23 0.00 0.00 176.35 176.35 1uk3 s LYS 90 N 1.97 4.10 0.29 1.70 2.20 0.14 -1.47 119.74 128.66 1uk3 s LYS 90 Ca 0.18 0.85 0.07 0.00 -0.36 0.00 0.00 55.97 56.71 1uk3 s LYS 90 Cb -0.15 -3.68 -0.03 0.00 -1.51 0.00 0.00 37.83 32.45 1uk3 s LYS 90 CO 0.09 -0.61 0.23 0.14 -0.36 0.00 0.00 175.35 174.84 1uk3 s VAL 91 N 2.96 4.01 -0.21 4.02 -7.23 0.44 -0.52 120.40 123.86 1uk3 s VAL 91 Ca 0.35 -1.41 0.26 0.00 -1.81 0.00 0.00 61.98 59.36 1uk3 s VAL 91 Cb -0.15 -3.28 0.33 0.00 0.56 0.00 0.00 36.38 33.84 1uk3 s VAL 91 CO 0.10 -0.28 1.73 -2.24 -0.31 0.00 0.00 175.10 174.10 1uk3 h ASP 92 N 1.41 0.00 -3.71 4.85 2.03 -1.47 -3.45 116.42 116.08 1uk3 h ASP 92 Ca -0.47 0.00 -0.68 0.00 -0.73 0.00 0.00 57.03 55.16 1uk3 h ASP 92 Cb 1.25 0.00 -0.25 0.00 -0.83 0.00 0.00 39.33 39.50 1uk3 h ASP 92 CO 0.60 0.05 -0.77 -0.89 -1.03 0.00 0.00 179.24 177.20 1uk3 s THR 93 N -3.36 3.05 -0.32 1.15 2.01 -1.26 -5.05 115.64 111.85 1uk3 s THR 93 Ca 0.05 -0.70 -0.19 0.00 0.31 0.00 0.00 61.69 61.15 1uk3 s THR 93 Cb 0.07 -2.23 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 1uk3 s THR 93 CO 0.63 0.56 0.58 -0.55 -0.69 0.00 0.00 174.62 175.16 1uk3 s SER 94 N -0.24 6.42 -0.79 3.53 0.15 -1.26 -4.36 113.70 117.14 1uk3 s SER 94 Ca 0.01 0.25 -0.33 0.00 0.70 0.00 0.00 55.95 56.58 1uk3 s SER 94 Cb -0.13 -2.30 -0.19 0.00 -1.71 0.00 0.00 66.02 61.69 1uk3 s SER 94 CO 0.03 -0.48 2.52 -3.20 1.20 0.00 0.00 173.24 173.31 1uk3 n ASN 95 N 5.83 0.77 0.08 5.45 2.85 -0.98 -4.80 115.26 124.47 1uk3 n ASN 95 Ca -0.03 0.21 0.16 0.00 -0.11 0.00 0.00 54.58 54.81 1uk3 n ASN 95 Cb 0.49 -1.03 0.67 0.00 1.24 0.00 0.00 39.78 41.15 1uk3 n ASN 95 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1uk3 h PRO 96 N 12.40 0.01 -0.08 1.20 0.13 -1.92 0.20 132.00 143.93 1uk3 h PRO 96 Ca -0.10 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1uk3 h PRO 96 Cb 1.33 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1uk3 h PRO 96 CO 1.27 0.01 0.00 1.63 -0.23 0.00 0.00 178.00 180.68 1uk3 n LYS 97 N -4.43 1.21 -1.70 0.86 5.02 -1.26 -4.94 118.16 112.92 1uk3 n LYS 97 Ca 0.06 -0.33 -0.42 0.00 -2.02 0.00 0.00 58.31 55.60 1uk3 n LYS 97 Cb 0.44 -1.13 -0.03 0.00 -0.02 0.00 0.00 35.03 34.29 1uk3 n LYS 97 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1uk3 s THR 98 N -1.89 2.71 0.73 -0.18 2.01 0.06 -4.85 115.64 114.22 1uk3 s THR 98 Ca 0.12 0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.16 1uk3 s THR 98 Cb 0.06 -3.03 0.13 0.00 0.01 0.00 0.00 72.50 69.67 1uk3 s THR 98 CO 0.09 -0.00 1.01 -2.16 -0.69 0.00 0.00 174.62 172.86 1uk3 s PRO 99 N 3.34 1.63 0.16 4.92 0.04 -1.26 -5.03 135.00 138.81 1uk3 s PRO 99 Ca 0.83 -1.12 -0.30 0.00 0.04 0.00 0.00 61.00 60.45 1uk3 s PRO 99 Cb -0.45 -2.32 -0.07 0.00 0.04 0.00 0.00 34.50 31.70 1uk3 s PRO 99 CO 0.38 -1.49 1.14 0.15 0.04 0.00 0.00 177.00 177.22 1uk3 s LYS 100 N -5.17 4.54 0.12 4.56 -0.14 -1.26 -4.96 119.74 117.44 1uk3 s LYS 100 Ca 0.67 1.77 -0.15 0.00 -1.36 0.00 0.00 55.97 56.90 1uk3 s LYS 100 Cb -0.05 -3.28 0.03 0.00 -1.68 0.00 0.00 37.83 32.85 1uk3 s LYS 100 CO 0.45 -0.03 0.38 1.52 -0.76 0.00 0.00 175.35 176.91 1uk3 s TYR 101 N 0.01 -0.17 0.07 3.18 -0.85 -1.26 -0.51 117.35 117.83 1uk3 s TYR 101 Ca 0.52 -0.16 0.00 0.00 -0.52 0.00 0.00 57.07 56.91 1uk3 s TYR 101 Cb -0.30 0.23 -0.04 0.00 0.38 0.00 0.00 41.96 42.23 1uk3 s TYR 101 CO 0.35 -0.69 -0.05 0.15 -1.52 0.00 0.00 175.55 173.79 1uk3 s LYS 102 N -3.81 0.71 -0.20 -3.49 3.01 -0.14 -4.90 119.74 110.92 1uk3 s LYS 102 Ca 0.03 -1.25 -0.02 0.00 -1.01 0.00 0.00 55.97 53.72 1uk3 s LYS 102 Cb 0.02 -0.01 -0.00 0.00 -1.01 0.00 0.00 37.83 36.83 1uk3 s LYS 102 CO -0.12 -0.06 -0.08 -0.06 0.51 0.00 0.00 175.35 175.54 1uk3 s PHE 103 N -3.64 2.91 0.12 3.18 2.99 -1.26 -1.44 117.98 120.83 1uk3 s PHE 103 Ca 0.08 -1.06 0.04 0.00 0.00 0.00 0.00 56.93 55.99 1uk3 s PHE 103 Cb 0.06 -2.04 -0.04 0.00 0.00 0.00 0.00 43.02 41.00 1uk3 s PHE 103 CO -0.07 -0.57 -0.11 0.14 -0.00 0.00 0.00 175.22 174.61 1uk3 s VAL 104 N 1.34 1.10 -0.19 -0.44 -7.23 -0.89 -4.98 120.40 109.11 1uk3 s VAL 104 Ca 0.04 -1.80 -0.05 0.00 -1.81 0.00 0.00 61.98 58.36 1uk3 s VAL 104 Cb -0.14 -1.56 -0.03 0.00 0.56 0.00 0.00 36.38 35.21 1uk3 s VAL 104 CO -0.05 -0.59 0.00 -0.60 -0.31 0.00 0.00 175.10 173.55 1uk3 s ARG 105 N -3.09 3.64 0.62 4.82 3.52 -1.26 -4.26 118.95 122.93 1uk3 s ARG 105 Ca 0.10 -0.51 0.02 0.00 -0.13 0.00 0.00 55.73 55.21 1uk3 s ARG 105 Cb -0.01 -3.07 0.08 0.00 -1.56 0.00 0.00 34.95 30.38 1uk3 s ARG 105 CO 0.01 0.05 0.85 0.96 -0.81 0.00 0.00 175.30 176.36 1uk3 s ILE 106 N 0.90 2.39 0.21 4.11 -4.36 -1.26 -5.13 121.20 118.06 1uk3 s ILE 106 Ca 0.01 -0.71 0.11 0.00 -0.26 0.00 0.00 60.65 59.80 1uk3 s ILE 106 Cb -0.14 -2.68 -0.05 0.00 1.25 0.00 0.00 42.46 40.84 1uk3 s ILE 106 CO 0.02 0.00 -0.22 -1.10 0.24 0.00 0.00 174.94 173.88 1uk3 s GLN 107 N -4.88 1.51 0.39 0.37 -1.52 -1.26 -5.07 119.66 109.21 1uk3 s GLN 107 Ca 0.62 -1.57 -0.25 0.00 -1.95 0.00 0.00 55.36 52.20 1uk3 s GLN 107 Cb -0.08 -1.72 -0.12 0.00 -0.22 0.00 0.00 33.01 30.88 1uk3 s GLN 107 CO 0.41 0.35 0.95 -2.30 -0.25 0.00 0.00 175.29 174.45 1uk3 n PRO 108 N 0.01 1.25 0.00 2.91 -0.02 -1.26 -1.23 135.00 136.66 1uk3 n PRO 108 Ca -0.10 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1uk3 n PRO 108 Cb 0.57 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 1uk3 n PRO 108 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uk3 n GLY 109 N 1.27 3.01 3.80 -1.23 0.00 0.22 -4.94 105.19 107.31 1uk3 n GLY 109 Ca 0.10 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1uk3 n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uk3 s GLN 110 N 0.00 3.48 0.25 1.61 -0.21 -0.37 -4.67 119.66 119.75 1uk3 s GLN 110 Ca 0.00 1.28 0.08 0.00 0.02 0.00 0.00 55.36 56.74 1uk3 s GLN 110 Cb 0.00 -2.05 -0.04 0.00 1.00 0.00 0.00 33.01 31.92 1uk3 s GLN 110 CO 0.00 -0.69 0.13 0.95 -2.12 0.00 0.00 175.29 173.56 1uk3 s THR 111 N -2.26 4.12 -0.13 -0.19 -4.23 -1.26 -0.57 115.64 111.12 1uk3 s THR 111 Ca 0.65 -1.57 -0.31 0.00 -1.18 0.00 0.00 61.69 59.28 1uk3 s THR 111 Cb -0.17 -3.21 0.13 0.00 1.34 0.00 0.00 72.50 70.59 1uk3 s THR 111 CO 0.31 -0.35 1.06 0.72 -0.54 0.00 0.00 174.62 175.82 1uk3 s PHE 112 N -2.19 -0.25 0.22 3.99 -0.12 -0.79 -4.93 117.98 113.91 1uk3 s PHE 112 Ca 0.32 0.25 -0.12 0.00 -0.05 0.00 0.00 56.93 57.34 1uk3 s PHE 112 Cb -0.07 0.51 -0.07 0.00 -0.63 0.00 0.00 43.02 42.75 1uk3 s PHE 112 CO 0.23 -0.34 0.58 -1.12 -0.05 0.00 0.00 175.22 174.53 1uk3 s SER 113 N -1.93 6.72 -0.11 1.98 0.01 0.51 -2.11 113.70 118.77 1uk3 s SER 113 Ca 0.05 1.04 0.02 0.00 1.31 0.00 0.00 55.95 58.36 1uk3 s SER 113 Cb -0.01 -2.27 0.02 0.00 0.21 0.00 0.00 66.02 63.96 1uk3 s SER 113 CO -0.05 -0.04 -0.15 -0.69 0.41 0.00 0.00 173.24 172.72 1uk3 s VAL 114 N -1.74 1.52 -0.72 3.43 1.01 0.35 0.38 120.40 124.63 1uk3 s VAL 114 Ca 0.46 -0.65 -0.16 0.00 0.00 0.00 0.00 61.98 61.63 1uk3 s VAL 114 Cb -0.12 -1.40 0.17 0.00 0.00 0.00 0.00 36.38 35.03 1uk3 s VAL 114 CO 0.20 0.45 0.70 -0.22 0.00 0.00 0.00 175.10 176.22 1uk3 s LEU 115 N 1.04 6.31 -0.07 3.92 2.96 -1.06 -1.28 118.68 130.50 1uk3 s LEU 115 Ca -0.05 -2.22 -0.30 0.00 -0.22 0.00 0.00 54.13 51.35 1uk3 s LEU 115 Cb -0.15 -2.23 -0.06 0.00 0.50 0.00 0.00 46.19 44.25 1uk3 s LEU 115 CO -0.03 -0.76 1.74 0.00 -1.32 0.00 0.00 176.35 175.98 1uk3 s ALA 116 N 1.08 3.52 0.05 5.97 0.00 0.84 -4.18 121.76 129.05 1uk3 s ALA 116 Ca 0.13 0.94 0.07 0.00 0.00 0.00 0.00 51.96 53.11 1uk3 s ALA 116 Cb -0.18 -3.79 -0.03 0.00 0.00 0.00 0.00 23.12 19.11 1uk3 s ALA 116 CO -0.03 -1.57 -0.17 0.00 0.00 0.00 0.00 175.76 173.98 1uk3 s TYR 118 N -0.95 3.50 -1.47 0.00 5.04 0.11 -3.45 117.35 120.14 1uk3 s TYR 118 Ca 0.15 -2.22 -0.12 0.00 -2.44 0.00 0.00 57.07 52.44 1uk3 s TYR 118 Cb -0.11 -2.95 0.06 0.00 0.35 0.00 0.00 41.96 39.31 1uk3 s TYR 118 CO 0.06 -0.92 1.03 0.09 -1.34 0.00 0.00 175.55 174.47 1uk3 n ASN 119 N 4.62 -5.43 0.00 4.32 5.03 -1.20 -1.58 115.26 121.02 1uk3 n ASN 119 Ca -0.05 -0.67 0.00 0.00 0.87 0.00 0.00 54.58 54.73 1uk3 n ASN 119 Cb 0.42 -4.31 0.00 0.00 -1.02 0.00 0.00 39.78 34.87 1uk3 n ASN 119 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1uk3 n GLY 120 N -1.79 1.75 3.55 7.41 0.00 -1.26 -4.71 105.19 110.14 1uk3 n GLY 120 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1uk3 n GLY 120 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uk3 s SER 121 N -1.81 4.72 0.10 1.61 0.15 -0.62 -4.20 113.70 113.66 1uk3 s SER 121 Ca 0.00 -0.07 -0.31 0.00 0.70 0.00 0.00 55.95 56.27 1uk3 s SER 121 Cb 0.00 -1.46 -0.09 0.00 -1.71 0.00 0.00 66.02 62.75 1uk3 s SER 121 CO 0.00 0.28 1.73 -2.84 1.20 0.00 0.00 173.24 173.61 1uk3 s PRO 122 N -0.29 4.17 -0.08 5.44 0.02 -1.26 0.08 135.00 143.07 1uk3 s PRO 122 Ca 0.05 2.46 0.03 0.00 0.02 0.00 0.00 61.00 63.55 1uk3 s PRO 122 Cb -0.13 -3.56 -0.07 0.00 0.02 0.00 0.00 34.50 30.77 1uk3 s PRO 122 CO 0.02 -0.78 -0.04 0.45 -0.33 0.00 0.00 177.00 176.32 1uk3 n SER 123 N 5.51 3.29 -3.50 2.53 2.88 -0.35 -4.88 113.62 119.10 1uk3 n SER 123 Ca 0.17 -0.03 -0.09 0.00 -1.33 0.00 0.00 58.87 57.58 1uk3 n SER 123 Cb 0.39 0.14 -0.02 0.00 -0.75 0.00 0.00 64.21 63.97 1uk3 n SER 123 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1uk3 s GLY 124 N -4.53 -0.49 -0.01 0.46 0.00 -1.01 -5.02 107.32 96.71 1uk3 s GLY 124 Ca -0.09 0.84 0.04 0.00 0.00 0.00 0.00 44.72 45.51 1uk3 s GLY 124 CO 0.23 0.28 -0.14 0.54 0.00 0.00 0.00 173.10 174.01 1uk3 s VAL 125 N -3.28 1.13 0.05 1.40 0.11 -1.26 -0.11 120.40 118.44 1uk3 s VAL 125 Ca 0.04 -0.61 -0.07 0.00 -2.93 0.00 0.00 61.98 58.41 1uk3 s VAL 125 Cb -0.01 -0.94 -0.01 0.00 -1.53 0.00 0.00 36.38 33.89 1uk3 s VAL 125 CO -0.09 0.32 0.14 -0.72 -3.33 0.00 0.00 175.10 171.42 1uk3 s TYR 126 N -0.30 0.16 -0.15 1.54 -0.85 -0.41 -4.97 117.35 112.37 1uk3 s TYR 126 Ca 0.05 -0.48 -0.10 0.00 -0.52 0.00 0.00 57.07 56.02 1uk3 s TYR 126 Cb -0.06 -0.10 -0.05 0.00 0.38 0.00 0.00 41.96 42.13 1uk3 s TYR 126 CO -0.00 -0.43 0.19 -1.14 -1.52 0.00 0.00 175.55 172.65 1uk3 s GLN 127 N -2.94 3.93 0.31 -3.49 2.00 -1.26 -0.50 119.66 117.72 1uk3 s GLN 127 Ca -0.02 -0.08 0.01 0.00 -2.00 0.00 0.00 55.36 53.26 1uk3 s GLN 127 Cb 0.01 -3.33 -0.00 0.00 0.80 0.00 0.00 33.01 30.49 1uk3 s GLN 127 CO -0.06 0.48 0.40 0.00 -0.50 0.00 0.00 175.29 175.60 1uk3 s ALA 129 N -2.81 0.84 -0.11 0.00 0.00 -1.26 -1.88 121.76 116.54 1uk3 s ALA 129 Ca 0.29 -0.79 -0.30 0.00 0.00 0.00 0.00 51.96 51.16 1uk3 s ALA 129 Cb -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 1uk3 s ALA 129 CO 0.21 0.09 1.33 1.41 0.00 0.00 0.00 175.76 178.79 1uk3 s MET 130 N -1.40 4.25 0.76 0.00 1.75 0.27 -4.63 119.30 120.30 1uk3 s MET 130 Ca -0.04 1.78 -0.13 0.00 -1.25 0.00 0.00 55.69 56.05 1uk3 s MET 130 Cb -0.09 -3.73 0.06 0.00 2.84 0.00 0.00 34.83 33.91 1uk3 s MET 130 CO 0.01 -0.66 1.14 1.03 -0.65 0.00 0.00 175.02 175.89 1uk3 s ARG 131 N 3.19 2.08 0.49 4.11 1.81 0.60 0.72 118.95 131.95 1uk3 s ARG 131 Ca 0.59 1.47 0.19 0.00 -1.72 0.00 0.00 55.73 56.27 1uk3 s ARG 131 Cb -0.25 -1.85 1.23 0.00 -0.45 0.00 0.00 34.95 33.62 1uk3 s ARG 131 CO 0.20 -1.82 2.01 -1.35 -0.68 0.00 0.00 175.30 173.65 1uk3 h PRO 132 N -0.77 0.16 -0.73 3.54 0.11 -1.87 0.32 132.00 132.76 1uk3 h PRO 132 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1uk3 h PRO 132 Cb 1.26 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1uk3 h PRO 132 CO 0.49 0.11 0.00 0.27 -0.21 0.00 0.00 178.00 178.66 1uk3 n ASN 133 N -4.44 2.04 -0.41 -2.05 0.23 -1.26 -4.86 115.26 104.51 1uk3 n ASN 133 Ca 0.08 -2.20 -0.05 0.00 -0.53 0.00 0.00 54.58 51.88 1uk3 n ASN 133 Cb 0.45 -0.46 -0.02 0.00 -2.08 0.00 0.00 39.78 37.67 1uk3 n ASN 133 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1uk3 n HIS 134 N 0.16 0.00 -3.63 -2.53 8.25 0.10 -4.45 115.22 113.11 1uk3 n HIS 134 Ca 0.07 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.30 1uk3 n HIS 134 Cb 0.44 -1.47 -0.00 0.00 1.12 0.00 0.00 29.99 30.07 1uk3 n HIS 134 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1uk3 s THR 135 N -1.98 2.10 -0.08 1.59 -4.23 -1.25 -4.56 115.64 107.23 1uk3 s THR 135 Ca 0.00 -1.36 0.01 0.00 -1.18 0.00 0.00 61.69 59.16 1uk3 s THR 135 Cb 0.00 -2.46 0.02 0.00 1.34 0.00 0.00 72.50 71.39 1uk3 s THR 135 CO 0.00 0.00 -0.11 -0.51 -0.54 0.00 0.00 174.62 173.46 1uk3 s ILE 136 N -2.65 1.15 0.00 2.99 2.07 -0.40 -0.29 121.20 124.08 1uk3 s ILE 136 Ca 0.44 -0.45 0.00 0.00 -1.41 0.00 0.00 60.65 59.23 1uk3 s ILE 136 Cb -0.03 -1.08 0.00 0.00 0.13 0.00 0.00 42.46 41.48 1uk3 s ILE 136 CO 0.27 0.37 0.00 0.29 -1.91 0.00 0.00 174.94 173.95 1uk3 n LYS 137 N 4.18 0.00 -3.45 3.50 4.76 -1.26 0.71 118.16 126.61 1uk3 n LYS 137 Ca -0.20 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.00 1uk3 n LYS 137 Cb 0.51 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.72 1uk3 n LYS 137 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1uk3 n GLY 138 N 3.51 -0.72 2.90 0.72 0.00 -1.26 -4.41 105.19 105.93 1uk3 n GLY 138 Ca 0.00 0.92 -0.02 0.00 0.00 0.00 0.00 46.02 46.91 1uk3 n GLY 138 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uk3 n SER 139 N -1.19 0.54 -4.34 1.61 7.64 -1.26 -4.77 113.62 111.84 1uk3 n SER 139 Ca -0.12 -1.98 -0.33 0.00 1.01 0.00 0.00 58.87 57.45 1uk3 n SER 139 Cb 0.63 -0.51 -0.06 0.00 -1.01 0.00 0.00 64.21 63.26 1uk3 n SER 139 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1uk3 n PHE 140 N 4.68 2.67 -1.97 1.43 1.16 -1.26 -4.91 117.46 119.26 1uk3 n PHE 140 Ca 0.05 -1.66 -0.42 0.00 -1.87 0.00 0.00 57.45 53.54 1uk3 n PHE 140 Cb 0.02 -2.40 -0.03 0.00 -1.61 0.00 0.00 39.48 35.46 1uk3 n PHE 140 CO 0.00 0.00 0.00 -0.48 -1.87 0.00 0.00 176.76 174.41 1uk3 s LEU 141 N 8.07 4.36 0.00 5.98 -0.00 -1.26 -4.83 118.68 131.00 1uk3 s LEU 141 Ca 0.64 2.45 0.00 0.00 -0.00 0.00 0.00 54.13 57.23 1uk3 s LEU 141 Cb 0.04 -3.57 0.00 0.00 -0.00 0.00 0.00 46.19 42.66 1uk3 s LEU 141 CO 0.13 -0.86 0.00 -0.46 -0.00 0.00 0.00 176.35 175.16 1uk3 n ASN 142 N 5.37 0.00 -2.82 1.48 6.94 -1.26 -4.97 115.26 119.99 1uk3 n ASN 142 Ca 0.15 0.00 -0.32 0.00 -0.02 0.00 0.00 54.58 54.39 1uk3 n ASN 142 Cb 0.41 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.80 1uk3 n ASN 142 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1uk3 n GLY 143 N 0.00 4.81 0.67 4.83 0.00 -1.26 -4.69 105.19 109.55 1uk3 n GLY 143 Ca 0.00 -2.05 0.03 0.00 0.00 0.00 0.00 46.02 44.00 1uk3 n GLY 143 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uk3 n SER 144 N 0.78 1.86 -4.72 1.61 3.41 -1.22 -3.26 113.62 112.08 1uk3 n SER 144 Ca 0.52 -2.13 -0.42 0.00 -0.26 0.00 0.00 58.87 56.58 1uk3 n SER 144 Cb 0.42 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 1uk3 n SER 144 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uk3 n GLY 146 N 3.92 0.57 3.76 0.00 0.00 -0.76 -0.60 105.19 112.09 1uk3 n GLY 146 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1uk3 n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uk3 s SER 147 N -2.00 6.73 0.06 1.61 0.01 -0.44 -4.52 113.70 115.14 1uk3 s SER 147 Ca 0.00 2.70 0.02 0.00 1.31 0.00 0.00 55.95 59.97 1uk3 s SER 147 Cb 0.00 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.55 1uk3 s SER 147 CO 0.00 -0.59 0.11 0.68 0.41 0.00 0.00 173.24 173.85 1uk3 s VAL 148 N -0.87 4.78 0.16 3.43 -7.23 -1.26 -0.69 120.40 118.71 1uk3 s VAL 148 Ca 0.51 -0.60 0.05 0.00 -1.81 0.00 0.00 61.98 60.13 1uk3 s VAL 148 Cb -0.40 -3.28 -0.04 0.00 0.56 0.00 0.00 36.38 33.21 1uk3 s VAL 148 CO 0.51 0.18 0.15 -0.83 -0.31 0.00 0.00 175.10 174.80 1uk3 s GLY 149 N -2.27 1.73 0.09 2.32 0.00 0.14 -2.57 107.32 106.75 1uk3 s GLY 149 Ca 0.29 -1.19 -0.27 0.00 0.00 0.00 0.00 44.72 43.56 1uk3 s GLY 149 CO 0.22 -1.19 1.09 -0.11 0.00 0.00 0.00 173.10 173.10 1uk3 s PHE 150 N -1.74 -0.09 0.04 1.90 -0.12 0.16 -2.25 117.98 115.89 1uk3 s PHE 150 Ca 0.31 -0.15 0.02 0.00 -0.05 0.00 0.00 56.93 57.07 1uk3 s PHE 150 Cb -0.10 0.61 -0.02 0.00 -0.63 0.00 0.00 43.02 42.87 1uk3 s PHE 150 CO 0.24 -0.62 -0.08 -0.80 -0.05 0.00 0.00 175.22 173.91 1uk3 s ASN 151 N -2.98 0.89 -0.24 1.98 0.01 -0.32 -0.36 114.94 113.91 1uk3 s ASN 151 Ca 0.14 -0.53 -0.01 0.00 -0.71 0.00 0.00 52.86 51.75 1uk3 s ASN 151 Cb 0.01 0.03 0.03 0.00 0.41 0.00 0.00 41.25 41.72 1uk3 s ASN 151 CO 0.00 -0.18 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.69 1uk3 s ILE 152 N -1.31 2.68 -0.27 0.60 1.01 -1.26 -0.90 121.20 121.76 1uk3 s ILE 152 Ca -0.09 -1.09 -0.03 0.00 0.00 0.00 0.00 60.65 59.45 1uk3 s ILE 152 Cb -0.10 -2.36 0.03 0.00 0.01 0.00 0.00 42.46 40.04 1uk3 s ILE 152 CO 0.00 0.21 -0.02 -0.62 0.00 0.00 0.00 174.94 174.51 1uk3 s ASP 153 N 1.29 4.59 1.87 3.58 -1.08 0.76 -4.97 116.67 122.71 1uk3 s ASP 153 Ca -0.00 -0.95 0.00 0.00 -0.52 0.00 0.00 52.55 51.08 1uk3 s ASP 153 Cb -0.17 -1.71 0.00 0.00 -1.46 0.00 0.00 42.92 39.58 1uk3 s ASP 153 CO -0.06 -0.17 0.00 -1.22 0.52 0.00 0.00 175.17 174.24 1uk3 n TYR 154 N 4.69 0.00 -0.02 -5.34 4.01 -1.26 -0.32 117.16 118.92 1uk3 n TYR 154 Ca -0.15 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.67 1uk3 n TYR 154 Cb 0.46 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.33 1uk3 n TYR 154 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1uk3 n ASP 155 N 10.58 0.26 -4.73 7.72 5.68 -1.26 -4.98 116.55 129.81 1uk3 n ASP 155 Ca 0.00 0.00 -0.41 0.00 -0.50 0.00 0.00 54.79 53.88 1uk3 n ASP 155 Cb 0.00 1.83 -0.05 0.00 -1.14 0.00 0.00 41.12 41.76 1uk3 n ASP 155 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1uk3 s VAL 157 N -0.24 4.99 -0.35 0.00 1.01 0.33 -0.17 120.40 125.97 1uk3 s VAL 157 Ca 0.46 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 62.38 1uk3 s VAL 157 Cb -0.25 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.79 1uk3 s VAL 157 CO 0.31 0.31 0.21 -0.44 0.00 0.00 0.00 175.10 175.48 1uk3 s SER 158 N 1.51 5.78 -0.12 3.32 0.01 -0.08 -0.96 113.70 123.17 1uk3 s SER 158 Ca 0.07 -0.71 -0.24 0.00 1.31 0.00 0.00 55.95 56.38 1uk3 s SER 158 Cb -0.15 -2.06 -0.03 0.00 0.21 0.00 0.00 66.02 64.00 1uk3 s SER 158 CO 0.07 -0.30 0.75 -0.36 0.41 0.00 0.00 173.24 173.81 1uk3 s PHE 159 N 1.62 3.49 -0.01 2.43 0.08 -0.52 -1.18 117.98 123.90 1uk3 s PHE 159 Ca 0.04 1.22 0.03 0.00 0.12 0.00 0.00 56.93 58.34 1uk3 s PHE 159 Cb -0.18 -2.89 -0.04 0.00 -0.57 0.00 0.00 43.02 39.33 1uk3 s PHE 159 CO 0.08 -0.08 0.05 0.00 -0.10 0.00 0.00 175.22 175.17 1uk3 s TYR 161 N -2.18 0.16 -0.01 0.00 5.04 -1.20 -4.21 117.35 114.96 1uk3 s TYR 161 Ca -0.01 -0.38 0.00 0.00 -2.44 0.00 0.00 57.07 54.24 1uk3 s TYR 161 Cb 0.02 -0.12 0.01 0.00 0.35 0.00 0.00 41.96 42.21 1uk3 s TYR 161 CO 0.12 -0.31 -0.01 1.41 -1.34 0.00 0.00 175.55 175.43 1uk3 s MET 162 N -1.99 0.10 0.08 4.97 -2.45 0.23 0.24 119.30 120.48 1uk3 s MET 162 Ca -0.10 -0.00 -0.26 0.00 -1.25 0.00 0.00 55.69 54.07 1uk3 s MET 162 Cb -0.05 -0.15 -0.06 0.00 1.25 0.00 0.00 34.83 35.83 1uk3 s MET 162 CO -0.02 -0.01 0.82 -1.58 1.05 0.00 0.00 175.02 175.28 1uk3 s HIS 163 N 0.19 3.78 0.00 4.11 2.46 0.13 -0.25 115.29 125.71 1uk3 s HIS 163 Ca -0.02 1.59 0.00 0.00 0.47 0.00 0.00 55.06 57.10 1uk3 s HIS 163 Cb -0.03 -2.88 0.00 0.00 -0.13 0.00 0.00 32.58 29.54 1uk3 s HIS 163 CO -0.01 0.29 0.00 0.72 -2.47 0.00 0.00 174.74 173.27 1uk3 n HIS 164 N 2.63 0.00 -3.68 3.88 8.25 -0.94 -1.82 115.22 123.54 1uk3 n HIS 164 Ca -0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.34 1uk3 n HIS 164 Cb 0.50 0.03 -0.04 0.00 1.12 0.00 0.00 29.99 31.59 1uk3 n HIS 164 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1uk3 s MET 165 N -1.88 1.19 -0.25 -0.41 0.23 -0.94 -4.94 119.30 112.29 1uk3 s MET 165 Ca 0.00 -0.78 -0.09 0.00 -1.03 0.00 0.00 55.69 53.79 1uk3 s MET 165 Cb 0.00 0.49 -0.04 0.00 -1.53 0.00 0.00 34.83 33.75 1uk3 s MET 165 CO 0.00 -0.48 0.13 -2.00 -2.03 0.00 0.00 175.02 170.64 1uk3 s GLU 166 N -3.84 3.86 0.59 3.16 2.12 -1.26 -1.61 118.70 121.73 1uk3 s GLU 166 Ca 0.06 -0.37 -0.17 0.00 0.36 0.00 0.00 54.97 54.85 1uk3 s GLU 166 Cb 0.01 -3.49 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 1uk3 s GLU 166 CO -0.08 -0.11 1.08 -1.17 -0.54 0.00 0.00 175.26 174.44 1uk3 s LEU 167 N 1.49 3.55 0.00 2.70 2.96 -0.79 -4.85 118.68 123.74 1uk3 s LEU 167 Ca 0.06 1.94 0.00 0.00 -0.22 0.00 0.00 54.13 55.91 1uk3 s LEU 167 Cb -0.15 -4.55 0.00 0.00 0.50 0.00 0.00 46.19 41.99 1uk3 s LEU 167 CO 0.07 -1.26 0.36 -2.65 -1.32 0.00 0.00 176.35 171.55 1uk3 n PRO 168 N -1.89 0.21 0.00 0.98 -0.02 -1.26 -0.42 135.00 132.60 1uk3 n PRO 168 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1uk3 n PRO 168 Cb 0.52 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 1uk3 n PRO 168 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1uk3 n THR 169 N 1.63 0.00 -1.09 3.45 -2.24 -1.26 -5.02 114.28 109.75 1uk3 n THR 169 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1uk3 n THR 169 Cb 0.10 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 1uk3 n THR 169 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uk3 n GLY 170 N 0.00 0.22 1.00 3.38 0.00 0.44 -5.07 105.19 105.16 1uk3 n GLY 170 Ca 0.00 -1.57 0.01 0.00 0.00 0.00 0.00 46.02 44.47 1uk3 n GLY 170 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1uk3 n VAL 171 N 0.00 -0.55 -4.46 1.61 0.24 -1.26 -2.81 118.33 111.11 1uk3 n VAL 171 Ca 0.00 0.32 -0.24 0.00 -2.04 0.00 0.00 64.34 62.37 1uk3 n VAL 171 Cb 0.00 -0.51 -0.10 0.00 -1.47 0.00 0.00 33.84 31.76 1uk3 n VAL 171 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1uk3 s HIS 172 N -4.52 2.31 0.01 6.34 0.09 0.22 -1.89 115.29 117.85 1uk3 s HIS 172 Ca 0.00 -0.33 0.06 0.00 -0.00 0.00 0.00 55.06 54.79 1uk3 s HIS 172 Cb 0.00 -1.02 -0.02 0.00 -0.00 0.00 0.00 32.58 31.54 1uk3 s HIS 172 CO 0.00 0.68 -0.17 0.00 -0.00 0.00 0.00 174.74 175.25 1uk3 s ALA 173 N -2.37 1.46 0.00 -1.40 0.00 -0.63 -1.27 121.76 117.54 1uk3 s ALA 173 Ca 0.29 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1uk3 s ALA 173 Cb -0.05 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.74 1uk3 s ALA 173 CO 0.14 0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.65 1uk3 n GLY 174 N 2.28 3.19 3.39 0.00 0.00 -1.26 -2.21 105.19 110.57 1uk3 n GLY 174 Ca -0.16 -1.26 -0.20 0.00 0.00 0.00 0.00 46.02 44.41 1uk3 n GLY 174 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1uk3 s THR 175 N -2.43 0.71 0.24 2.61 -1.32 0.65 -2.20 115.64 113.91 1uk3 s THR 175 Ca 0.00 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.48 1uk3 s THR 175 Cb 0.00 -2.63 0.05 0.00 -1.51 0.00 0.00 72.50 68.41 1uk3 s THR 175 CO 0.00 0.00 0.33 -0.90 -2.21 0.00 0.00 174.62 171.84 1uk3 n ASP 176 N -0.72 0.46 -0.13 8.08 5.68 -0.84 0.77 116.55 129.86 1uk3 n ASP 176 Ca -0.01 -1.38 0.04 0.00 -0.50 0.00 0.00 54.79 52.93 1uk3 n ASP 176 Cb 0.66 -0.21 0.18 0.00 -1.14 0.00 0.00 41.12 40.61 1uk3 n ASP 176 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1uk3 n LEU 177 N 0.00 0.38 -0.39 -2.12 7.99 -1.26 -2.38 117.00 119.22 1uk3 n LEU 177 Ca 0.06 -0.18 0.08 0.00 -0.01 0.00 0.00 56.01 55.95 1uk3 n LEU 177 Cb 0.20 -0.04 0.00 0.00 -0.11 0.00 0.00 43.42 43.47 1uk3 n LEU 177 CO 0.13 0.09 0.28 -0.62 -1.51 0.00 0.00 177.39 175.76 1uk3 n GLU 178 N -0.37 1.64 -0.37 3.23 1.02 -1.26 -4.96 120.64 119.57 1uk3 n GLU 178 Ca 0.06 -0.86 0.00 0.00 -0.02 0.00 0.00 57.16 56.34 1uk3 n GLU 178 Cb 0.08 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1uk3 n GLU 178 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uk3 n GLY 179 N 1.14 0.69 3.71 0.62 0.00 -1.00 -4.40 105.19 105.95 1uk3 n GLY 179 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1uk3 n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uk3 s LYS 180 N -0.63 4.38 1.01 1.61 1.02 -1.26 -1.82 119.74 124.06 1uk3 s LYS 180 Ca 0.00 0.78 -0.12 0.00 0.02 0.00 0.00 55.97 56.65 1uk3 s LYS 180 Cb 0.00 -3.47 0.20 0.00 -0.52 0.00 0.00 37.83 34.04 1uk3 s LYS 180 CO 0.00 0.02 1.08 -0.06 -0.92 0.00 0.00 175.35 175.47 1uk3 s PHE 181 N 0.99 1.71 -0.22 3.18 0.40 -1.26 -1.99 117.98 120.79 1uk3 s PHE 181 Ca 0.34 1.38 -0.03 0.00 -0.60 0.00 0.00 56.93 58.02 1uk3 s PHE 181 Cb -0.17 -3.19 -0.01 0.00 0.51 0.00 0.00 43.02 40.17 1uk3 s PHE 181 CO 0.15 -3.14 -0.06 0.71 0.70 0.00 0.00 175.22 173.59 1uk3 s TYR 182 N -2.66 2.94 0.00 0.36 2.02 -0.93 -4.83 117.35 114.26 1uk3 s TYR 182 Ca 0.66 -1.01 0.00 0.00 -0.37 0.00 0.00 57.07 56.35 1uk3 s TYR 182 Cb -0.22 -2.09 0.00 0.00 -0.40 0.00 0.00 41.96 39.25 1uk3 s TYR 182 CO 0.60 -0.58 0.00 0.41 -1.57 0.00 0.00 175.55 174.42 1uk3 n GLY 183 N 4.78 0.48 2.50 0.71 0.00 -1.26 -4.55 105.19 107.84 1uk3 n GLY 183 Ca -0.18 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.45 1uk3 n GLY 183 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uk3 n PRO 184 N 0.48 4.38 -4.50 1.61 -0.04 -1.26 -4.94 135.00 130.73 1uk3 n PRO 184 Ca 0.00 -3.42 -0.31 0.00 -0.04 0.00 0.00 63.50 59.72 1uk3 n PRO 184 Cb 0.00 -2.55 -0.11 0.00 -0.04 0.00 0.00 33.50 30.80 1uk3 n PRO 184 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1uk3 s PHE 185 N -1.52 2.78 0.16 0.54 0.08 -1.26 -5.02 117.98 113.73 1uk3 s PHE 185 Ca 0.53 -0.11 0.10 0.00 0.12 0.00 0.00 56.93 57.57 1uk3 s PHE 185 Cb 0.21 -1.55 -0.04 0.00 -0.57 0.00 0.00 43.02 41.07 1uk3 s PHE 185 CO -0.12 0.34 -0.19 0.14 -0.10 0.00 0.00 175.22 175.29 1uk3 s VAL 186 N -0.99 2.68 0.00 -0.44 -7.23 -1.26 -4.88 120.40 108.27 1uk3 s VAL 186 Ca 0.17 -1.74 -0.01 0.00 -1.81 0.00 0.00 61.98 58.60 1uk3 s VAL 186 Cb -0.11 -2.26 -0.03 0.00 0.56 0.00 0.00 36.38 34.54 1uk3 s VAL 186 CO 0.07 -0.01 1.32 -0.67 -0.31 0.00 0.00 175.10 175.50 1uk3 n ASP 187 N 0.49 2.89 -3.04 4.85 4.64 -1.26 -4.82 116.55 120.32 1uk3 n ASP 187 Ca -0.14 -1.82 -0.16 0.00 -1.38 0.00 0.00 54.79 51.29 1uk3 n ASP 187 Cb 0.54 -0.65 -0.04 0.00 -1.04 0.00 0.00 41.12 39.93 1uk3 n ASP 187 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1uk3 n ARG 188 N 1.94 0.79 -0.89 -0.67 1.74 -1.26 -4.88 116.66 113.42 1uk3 n ARG 188 Ca 0.05 -2.14 -0.05 0.00 -0.77 0.00 0.00 57.85 54.94 1uk3 n ARG 188 Cb 0.32 1.08 0.18 0.00 -1.02 0.00 0.00 32.46 33.03 1uk3 n ARG 188 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1uk3 n GLN 189 N -0.59 1.95 -2.26 5.56 1.13 -0.70 -5.02 117.38 117.44 1uk3 n GLN 189 Ca -0.05 -3.30 -0.27 0.00 -1.94 0.00 0.00 57.00 51.44 1uk3 n GLN 189 Cb 0.38 -1.83 0.04 0.00 0.11 0.00 0.00 30.24 28.93 1uk3 n GLN 189 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1uk3 s THR 190 N -3.41 3.54 0.19 5.09 -4.23 -1.26 -4.86 115.64 110.70 1uk3 s THR 190 Ca 0.45 0.11 -0.32 0.00 -1.18 0.00 0.00 61.69 60.74 1uk3 s THR 190 Cb 0.41 -3.44 -0.12 0.00 1.34 0.00 0.00 72.50 70.69 1uk3 s THR 190 CO -0.01 -0.48 1.74 0.00 -0.54 0.00 0.00 174.62 175.33 1uk3 n ALA 191 N -2.71 2.66 -3.60 3.99 0.00 -1.26 -4.98 120.51 114.61 1uk3 n ALA 191 Ca 0.05 0.38 -0.11 0.00 0.00 0.00 0.00 53.44 53.77 1uk3 n ALA 191 Cb 0.58 -2.53 -0.10 0.00 0.00 0.00 0.00 19.45 17.39 1uk3 n ALA 191 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1uk3 s GLN 192 N 1.49 0.46 0.12 0.00 -0.21 -1.26 -5.13 119.66 115.13 1uk3 s GLN 192 Ca 0.77 0.79 0.10 0.00 0.02 0.00 0.00 55.36 57.03 1uk3 s GLN 192 Cb -0.51 0.06 -0.04 0.00 1.00 0.00 0.00 33.01 33.53 1uk3 s GLN 192 CO 0.33 -0.13 -0.24 0.00 -2.12 0.00 0.00 175.29 173.13 1uk3 s ALA 193 N 1.13 2.12 0.30 6.09 0.00 -1.26 -4.05 121.76 126.08 1uk3 s ALA 193 Ca -0.07 -1.38 0.04 0.00 0.00 0.00 0.00 51.96 50.55 1uk3 s ALA 193 Cb -0.07 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 1uk3 s ALA 193 CO -0.10 0.44 0.45 0.00 0.00 0.00 0.00 175.76 176.55 1uk3 s ALA 194 N -1.18 3.93 0.94 0.00 0.00 -1.26 -5.05 121.76 119.15 1uk3 s ALA 194 Ca 0.11 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1uk3 s ALA 194 Cb -0.10 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.19 1uk3 s ALA 194 CO 0.05 0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.30 1uk3 n GLY 195 N -1.59 -3.51 3.74 0.00 0.00 -1.26 -4.92 105.19 97.65 1uk3 n GLY 195 Ca -0.05 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 1uk3 n GLY 195 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uk3 s THR 196 N -0.91 3.45 -0.66 2.61 2.01 -1.26 -4.93 115.64 115.96 1uk3 s THR 196 Ca 0.00 1.26 -0.27 0.00 0.31 0.00 0.00 61.69 62.99 1uk3 s THR 196 Cb 0.00 -3.80 -0.00 0.00 0.01 0.00 0.00 72.50 68.71 1uk3 s THR 196 CO 0.00 0.22 1.63 -0.62 -0.69 0.00 0.00 174.62 175.16 1uk3 s ASP 197 N 0.00 5.63 0.24 3.53 3.68 -1.26 -4.47 116.67 124.02 1uk3 s ASP 197 Ca 0.52 0.05 0.10 0.00 2.13 0.00 0.00 52.55 55.35 1uk3 s ASP 197 Cb -0.34 -2.54 -0.04 0.00 -1.45 0.00 0.00 42.92 38.55 1uk3 s ASP 197 CO 0.38 -2.15 -0.10 0.42 0.13 0.00 0.00 175.17 173.85 1uk3 s THR 198 N 7.72 3.03 0.36 1.71 -4.23 -1.26 -5.03 115.64 117.94 1uk3 s THR 198 Ca 0.55 -1.97 -0.25 0.00 -1.18 0.00 0.00 61.69 58.84 1uk3 s THR 198 Cb -0.11 -2.56 -0.10 0.00 1.34 0.00 0.00 72.50 71.07 1uk3 s THR 198 CO 0.19 -0.28 0.96 -0.89 -0.54 0.00 0.00 174.62 174.06 1uk3 s THR 199 N -2.12 4.19 -0.92 3.99 2.01 -0.36 -4.62 115.64 117.81 1uk3 s THR 199 Ca 0.28 1.67 -0.20 0.00 0.31 0.00 0.00 61.69 63.75 1uk3 s THR 199 Cb -0.07 -3.86 0.11 0.00 0.01 0.00 0.00 72.50 68.69 1uk3 s THR 199 CO 0.16 0.01 1.17 -0.63 -0.69 0.00 0.00 174.62 174.64 1uk3 s ILE 200 N -1.76 4.52 0.27 1.82 1.01 -1.26 -1.36 121.20 124.44 1uk3 s ILE 200 Ca 0.54 -1.27 0.01 0.00 0.00 0.00 0.00 60.65 59.92 1uk3 s ILE 200 Cb -0.17 -4.82 0.26 0.00 0.01 0.00 0.00 42.46 37.74 1uk3 s ILE 200 CO 0.22 -1.59 1.73 0.74 0.00 0.00 0.00 174.94 176.04 1uk3 h THR 201 N 6.03 0.62 -0.51 2.92 2.02 -1.93 -1.62 112.91 120.45 1uk3 h THR 201 Ca 0.11 -0.18 0.07 0.00 0.77 0.00 0.00 66.41 67.19 1uk3 h THR 201 Cb 1.03 0.06 -0.06 0.00 -1.74 0.00 0.00 68.15 67.44 1uk3 h THR 201 CO 1.18 0.09 0.18 0.25 0.37 0.00 0.00 175.52 177.59 1uk3 h LEU 202 N 0.51 0.18 -0.47 2.58 5.85 -1.89 -1.93 115.31 120.14 1uk3 h LEU 202 Ca 0.50 0.06 -0.13 0.00 0.84 0.00 0.00 57.88 59.14 1uk3 h LEU 202 Cb 0.81 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 1uk3 h LEU 202 CO -0.43 0.13 -0.23 0.78 -0.34 0.00 0.00 178.44 178.34 1uk3 h ASN 203 N 0.36 1.02 -0.98 1.25 2.35 -1.54 -1.96 115.58 116.08 1uk3 h ASN 203 Ca 0.25 -0.40 0.07 0.00 -0.55 0.00 0.00 56.30 55.67 1uk3 h ASN 203 Cb 0.27 -0.28 -0.07 0.00 0.05 0.00 0.00 38.32 38.29 1uk3 h ASN 203 CO -0.25 1.20 0.62 0.58 -1.65 0.00 0.00 177.43 177.92 1uk3 h VAL 204 N 0.84 1.05 -0.56 2.81 2.07 -0.93 -0.46 116.25 121.07 1uk3 h VAL 204 Ca 0.10 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 1uk3 h VAL 204 Cb 0.81 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1uk3 h VAL 204 CO 0.07 0.20 -0.01 -0.07 0.02 0.00 0.00 177.57 177.78 1uk3 h LEU 205 N 1.11 0.98 -0.38 2.57 3.38 -0.97 -1.42 115.31 120.57 1uk3 h LEU 205 Ca 0.43 -0.31 0.07 0.00 0.09 0.00 0.00 57.88 58.16 1uk3 h LEU 205 Cb 0.23 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 1uk3 h LEU 205 CO -0.19 1.05 0.02 0.00 0.09 0.00 0.00 178.44 179.41 1uk3 h ALA 206 N 0.96 0.37 -0.93 1.53 0.00 -0.61 -0.63 119.26 119.94 1uk3 h ALA 206 Ca 0.16 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1uk3 h ALA 206 Cb 0.56 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1uk3 h ALA 206 CO 0.03 -0.38 0.61 2.35 0.00 0.00 0.00 179.25 181.87 1uk3 h TRP 207 N 0.13 1.15 -0.54 0.00 7.01 -0.69 -0.60 115.95 122.41 1uk3 h TRP 207 Ca 0.18 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 61.12 1uk3 h TRP 207 Cb 0.25 -0.39 -0.02 0.00 -2.10 0.00 0.00 29.16 26.90 1uk3 h TRP 207 CO -0.24 0.69 -0.02 -0.07 -2.79 0.00 0.00 178.44 176.00 1uk3 h LEU 208 N 1.21 0.91 0.14 0.65 3.38 -0.10 -1.11 115.31 120.39 1uk3 h LEU 208 Ca 0.36 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1uk3 h LEU 208 Cb -0.05 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.45 1uk3 h LEU 208 CO -0.10 0.99 -0.07 1.88 0.09 0.00 0.00 178.44 181.22 1uk3 h TYR 209 N 0.86 -0.18 -0.57 1.13 0.05 -0.63 -1.25 116.97 116.38 1uk3 h TYR 209 Ca 0.15 -0.00 0.09 0.00 0.05 0.00 0.00 58.73 59.02 1uk3 h TYR 209 Cb 0.54 0.06 -0.07 0.00 1.01 0.00 0.00 36.73 38.26 1uk3 h TYR 209 CO 0.03 -0.05 0.17 0.00 -1.05 0.00 0.00 178.16 177.26 1uk3 h ALA 210 N 0.58 0.70 -0.95 3.88 0.00 -0.92 1.00 119.26 123.54 1uk3 h ALA 210 Ca -0.02 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1uk3 h ALA 210 Cb 0.21 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1uk3 h ALA 210 CO 0.03 -0.25 0.62 0.00 0.00 0.00 0.00 179.25 179.65 1uk3 h ALA 211 N 1.42 1.43 -0.40 0.00 0.00 -1.02 0.66 119.26 121.35 1uk3 h ALA 211 Ca 0.29 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1uk3 h ALA 211 Cb 0.38 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1uk3 h ALA 211 CO -0.33 0.44 0.21 0.28 0.00 0.00 0.00 179.25 179.86 1uk3 h VAL 212 N 1.14 1.16 0.00 0.00 2.07 0.36 -0.08 116.25 120.89 1uk3 h VAL 212 Ca 0.40 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1uk3 h VAL 212 Cb 0.12 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1uk3 h VAL 212 CO -0.14 0.17 -0.12 0.40 0.02 0.00 0.00 177.57 177.89 1uk3 h ILE 213 N 0.52 0.92 -0.18 4.57 2.04 0.05 -2.19 117.51 123.24 1uk3 h ILE 213 Ca 0.14 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 1uk3 h ILE 213 Cb 0.07 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1uk3 h ILE 213 CO -0.02 0.12 0.01 0.59 0.00 0.00 0.00 178.15 178.85 1uk3 n ASN 214 N -4.14 2.44 0.00 1.72 3.02 0.11 -4.88 115.26 113.54 1uk3 n ASN 214 Ca -0.02 -2.28 0.00 0.00 -0.03 0.00 0.00 54.58 52.24 1uk3 n ASN 214 Cb 0.20 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 1uk3 n ASN 214 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uk3 n GLY 215 N 0.18 2.45 3.77 7.41 0.00 -0.82 -4.98 105.19 113.19 1uk3 n GLY 215 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1uk3 n GLY 215 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uk3 s ASP 216 N -2.64 6.82 0.00 1.61 1.01 -0.16 -4.86 116.67 118.45 1uk3 s ASP 216 Ca 0.00 2.36 0.00 0.00 0.71 0.00 0.00 52.55 55.62 1uk3 s ASP 216 Cb 0.00 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.31 1uk3 s ASP 216 CO 0.00 -0.47 0.00 -1.14 0.21 0.00 0.00 175.17 173.77 1uk3 n ARG 217 N 0.55 0.00 0.12 8.23 0.63 -1.26 -3.57 116.66 121.36 1uk3 n ARG 217 Ca 0.02 0.00 0.20 0.00 -0.92 0.00 0.00 57.85 57.14 1uk3 n ARG 217 Cb 0.45 0.00 0.76 0.00 0.45 0.00 0.00 32.46 34.13 1uk3 n ARG 217 CO 0.00 0.00 0.00 0.11 -2.51 0.00 0.00 177.63 175.23 1uk3 h TRP 218 N 0.00 0.00 -0.00 -0.14 5.08 -1.97 -1.82 115.95 117.09 1uk3 h TRP 218 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1uk3 h TRP 218 Cb 0.26 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.42 1uk3 h TRP 218 CO 0.00 0.00 -0.30 1.97 -1.28 0.00 0.00 178.44 178.83 1uk3 n PHE 219 N -3.72 0.00 -1.41 0.12 1.16 -1.26 -4.90 117.46 107.44 1uk3 n PHE 219 Ca 0.06 0.00 -0.32 0.00 -1.87 0.00 0.00 57.45 55.32 1uk3 n PHE 219 Cb 0.55 -0.34 0.08 0.00 -1.61 0.00 0.00 39.48 38.16 1uk3 n PHE 219 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1uk3 s LEU 220 N -2.99 3.19 0.11 5.98 1.43 -0.69 -4.77 118.68 120.95 1uk3 s LEU 220 Ca 0.13 2.02 -0.09 0.00 -1.03 0.00 0.00 54.13 55.16 1uk3 s LEU 220 Cb 0.18 -4.55 -0.00 0.00 0.03 0.00 0.00 46.19 41.85 1uk3 s LEU 220 CO 0.63 -2.04 0.21 0.54 0.23 0.00 0.00 176.35 175.92 1uk3 s ASN 221 N -2.77 0.10 0.00 2.29 2.20 -1.26 -5.05 114.94 110.45 1uk3 s ASN 221 Ca 0.66 -0.71 0.16 0.00 -0.94 0.00 0.00 52.86 52.04 1uk3 s ASN 221 Cb -0.21 0.36 0.86 0.00 -2.00 0.00 0.00 41.25 40.26 1uk3 s ASN 221 CO 0.49 -0.77 1.57 -2.11 -2.94 0.00 0.00 177.10 173.34 1uk3 n ARG 222 N -0.10 1.16 -2.42 3.55 1.85 -1.26 -4.87 116.66 114.58 1uk3 n ARG 222 Ca -0.13 -0.25 -0.30 0.00 -1.00 0.00 0.00 57.85 56.17 1uk3 n ARG 222 Cb 0.63 -1.27 -0.01 0.00 -1.05 0.00 0.00 32.46 30.76 1uk3 n ARG 222 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1uk3 s PHE 223 N -1.94 3.55 0.12 2.89 0.40 -1.26 -5.10 117.98 116.64 1uk3 s PHE 223 Ca 0.25 1.08 0.04 0.00 -0.60 0.00 0.00 56.93 57.70 1uk3 s PHE 223 Cb 0.12 -2.52 -0.04 0.00 0.51 0.00 0.00 43.02 41.09 1uk3 s PHE 223 CO 0.19 -0.38 -0.10 -0.08 0.70 0.00 0.00 175.22 175.56 1uk3 s THR 224 N -2.78 1.02 0.14 0.64 -1.32 -1.26 -4.72 115.64 107.37 1uk3 s THR 224 Ca 0.52 -1.85 -0.01 0.00 -1.21 0.00 0.00 61.69 59.13 1uk3 s THR 224 Cb -0.10 -1.60 -0.04 0.00 -1.51 0.00 0.00 72.50 69.24 1uk3 s THR 224 CO 0.43 -0.66 0.08 0.28 -2.21 0.00 0.00 174.62 172.54 1uk3 s THR 225 N -2.92 0.08 0.48 5.08 -1.32 -1.18 -4.96 115.64 110.90 1uk3 s THR 225 Ca 0.11 -1.90 -0.07 0.00 -1.21 0.00 0.00 61.69 58.63 1uk3 s THR 225 Cb 0.00 -2.11 -0.04 0.00 -1.51 0.00 0.00 72.50 68.84 1uk3 s THR 225 CO -0.00 -0.38 0.81 0.42 -2.21 0.00 0.00 174.62 173.26 1uk3 s THR 226 N -4.06 4.87 0.25 5.08 -4.23 -1.26 -4.81 115.64 111.47 1uk3 s THR 226 Ca 0.26 0.34 -0.04 0.00 -1.18 0.00 0.00 61.69 61.07 1uk3 s THR 226 Cb 0.07 -3.84 0.15 0.00 1.34 0.00 0.00 72.50 70.22 1uk3 s THR 226 CO 0.03 -0.83 1.79 0.25 -0.54 0.00 0.00 174.62 175.33 1uk3 h LEU 227 N 0.34 0.93 0.28 4.79 5.85 -1.98 -1.38 115.31 124.14 1uk3 h LEU 227 Ca -0.47 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.07 1uk3 h LEU 227 Cb 1.20 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.99 1uk3 h LEU 227 CO 0.62 0.87 -0.14 0.78 -0.34 0.00 0.00 178.44 180.24 1uk3 h ASN 228 N 0.96 -0.32 -0.73 1.25 2.35 -1.96 0.54 115.58 117.67 1uk3 h ASN 228 Ca 0.21 -0.17 0.06 0.00 -0.55 0.00 0.00 56.30 55.85 1uk3 h ASN 228 Cb 0.29 0.08 -0.06 0.00 0.05 0.00 0.00 38.32 38.68 1uk3 h ASN 228 CO -0.01 0.01 0.42 -0.78 -1.65 0.00 0.00 177.43 175.42 1uk3 h ASP 229 N -0.67 0.64 -0.54 5.81 3.58 -1.95 0.94 116.42 124.24 1uk3 h ASP 229 Ca -0.04 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 1uk3 h ASP 229 Cb 0.47 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.39 1uk3 h ASP 229 CO 0.06 0.41 0.27 0.15 -2.88 0.00 0.00 179.24 177.26 1uk3 h PHE 230 N 0.78 0.76 -0.69 0.28 3.57 -1.22 -1.52 116.94 118.89 1uk3 h PHE 230 Ca 0.32 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.72 1uk3 h PHE 230 Cb 0.18 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 1uk3 h PHE 230 CO -0.06 0.58 0.16 -0.91 -2.23 0.00 0.00 178.31 175.84 1uk3 h ASN 231 N 0.72 1.05 -0.95 0.41 2.35 0.95 0.23 115.58 120.34 1uk3 h ASN 231 Ca 0.19 -0.23 0.03 0.00 -0.55 0.00 0.00 56.30 55.74 1uk3 h ASN 231 Cb 0.09 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 38.13 1uk3 h ASN 231 CO -0.03 1.02 0.62 -0.07 -1.65 0.00 0.00 177.43 177.32 1uk3 h LEU 232 N 1.05 1.04 0.10 1.61 3.38 0.13 -2.45 115.31 120.17 1uk3 h LEU 232 Ca 0.22 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1uk3 h LEU 232 Cb 0.38 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1uk3 h LEU 232 CO 0.00 0.72 -0.05 0.58 0.09 0.00 0.00 178.44 179.78 1uk3 h VAL 233 N 1.21 1.12 -0.81 1.22 2.07 -0.96 -3.28 116.25 116.82 1uk3 h VAL 233 Ca 0.37 -1.18 0.20 0.00 0.82 0.00 0.00 66.70 66.91 1uk3 h VAL 233 Cb -0.02 1.83 -0.13 0.00 -1.52 0.00 0.00 31.29 31.44 1uk3 h VAL 233 CO -0.12 0.27 0.12 0.00 0.02 0.00 0.00 177.57 177.86 1uk3 h ALA 234 N 0.05 1.01 -0.09 1.67 0.00 -0.81 0.77 119.26 121.86 1uk3 h ALA 234 Ca -0.01 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1uk3 h ALA 234 Cb 0.55 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1uk3 h ALA 234 CO 0.02 -0.43 -0.08 0.52 0.00 0.00 0.00 179.25 179.28 1uk3 h MET 235 N 0.17 0.13 0.00 0.00 2.86 -1.52 -0.94 114.93 115.62 1uk3 h MET 235 Ca 0.47 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 58.06 1uk3 h MET 235 Cb 0.88 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.52 1uk3 h MET 235 CO -0.65 0.22 -0.16 0.87 1.06 0.00 0.00 176.91 178.26 1uk3 h LYS 236 N 0.12 0.00 -0.62 1.72 1.57 -0.90 -2.38 116.57 116.09 1uk3 h LYS 236 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1uk3 h LYS 236 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1uk3 h LYS 236 CO 0.01 0.16 0.00 0.66 -0.57 0.00 0.00 179.45 179.71 1uk3 n TYR 237 N -4.04 0.82 -1.57 -1.35 4.02 -0.44 -4.95 117.16 109.65 1uk3 n TYR 237 Ca -0.02 -0.41 -0.01 0.00 -0.01 0.00 0.00 57.90 57.45 1uk3 n TYR 237 Cb 0.24 -0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.56 1uk3 n TYR 237 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1uk3 n ASN 238 N 1.62 -1.99 -4.88 7.72 5.15 -0.90 -4.94 115.26 117.04 1uk3 n ASN 238 Ca 0.23 0.01 -0.34 0.00 -0.60 0.00 0.00 54.58 53.88 1uk3 n ASN 238 Cb 0.62 -0.62 -0.05 0.00 -0.53 0.00 0.00 39.78 39.20 1uk3 n ASN 238 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1uk3 s TYR 239 N -2.02 3.55 0.47 1.20 1.51 -0.72 -1.23 117.35 120.10 1uk3 s TYR 239 Ca 0.00 0.63 -0.23 0.00 -1.01 0.00 0.00 57.07 56.47 1uk3 s TYR 239 Cb 0.00 -2.05 -0.07 0.00 -0.11 0.00 0.00 41.96 39.73 1uk3 s TYR 239 CO 0.00 0.53 1.17 -1.21 -1.11 0.00 0.00 175.55 174.93 1uk3 s GLU 240 N -2.10 3.71 0.42 -0.62 0.41 -0.47 -3.89 118.70 116.17 1uk3 s GLU 240 Ca 0.34 1.79 -0.24 0.00 -0.41 0.00 0.00 54.97 56.44 1uk3 s GLU 240 Cb -0.13 -2.38 -0.08 0.00 -1.78 0.00 0.00 34.13 29.76 1uk3 s GLU 240 CO 0.20 -0.60 1.15 -2.14 -0.49 0.00 0.00 175.26 173.38 1uk3 s PRO 241 N -2.74 3.95 -0.37 0.39 0.02 -1.26 -4.47 135.00 130.52 1uk3 s PRO 241 Ca 0.64 1.76 -0.22 0.00 0.02 0.00 0.00 61.00 63.20 1uk3 s PRO 241 Cb -0.29 -2.54 0.01 0.00 0.02 0.00 0.00 34.50 31.70 1uk3 s PRO 241 CO 0.35 -0.39 0.71 -1.17 -0.33 0.00 0.00 177.00 176.17 1uk3 s LEU 242 N -2.74 4.22 0.71 -5.54 2.96 -1.26 -5.00 118.68 112.03 1uk3 s LEU 242 Ca 0.60 0.19 -0.11 0.00 -0.22 0.00 0.00 54.13 54.58 1uk3 s LEU 242 Cb -0.28 -2.90 0.02 0.00 0.50 0.00 0.00 46.19 43.53 1uk3 s LEU 242 CO 0.35 -0.69 1.09 0.42 -1.32 0.00 0.00 176.35 176.21 1uk3 s THR 243 N 2.93 3.31 0.15 3.68 -4.23 -1.26 -4.92 115.64 115.30 1uk3 s THR 243 Ca 0.28 0.38 -0.18 0.00 -1.18 0.00 0.00 61.69 60.99 1uk3 s THR 243 Cb -0.14 -3.41 0.03 0.00 1.34 0.00 0.00 72.50 70.32 1uk3 s THR 243 CO 0.17 -0.54 1.69 -0.61 -0.54 0.00 0.00 174.62 174.78 1uk3 h GLN 244 N -0.67 0.00 -0.73 3.99 5.75 -2.00 -1.14 115.11 120.31 1uk3 h GLN 244 Ca -0.45 -0.00 0.14 0.00 -0.15 0.00 0.00 58.65 58.19 1uk3 h GLN 244 Cb 1.26 -0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.76 1uk3 h GLN 244 CO 0.64 0.00 0.49 0.38 -2.65 0.00 0.00 178.83 177.69 1uk3 h ASP 245 N 0.00 0.40 -0.65 -0.69 -0.00 -2.00 0.81 116.42 114.30 1uk3 h ASP 245 Ca 0.15 0.02 -0.04 0.00 -0.00 0.00 0.00 57.03 57.15 1uk3 h ASP 245 Cb 0.22 -0.06 -0.03 0.00 -0.00 0.00 0.00 39.33 39.46 1uk3 h ASP 245 CO -0.31 0.21 0.24 0.45 -0.00 0.00 0.00 179.24 179.83 1uk3 h HIS 246 N 0.43 1.01 0.00 4.15 3.86 -1.58 -1.11 115.15 121.91 1uk3 h HIS 246 Ca 0.36 -0.09 -0.07 0.00 -1.16 0.00 0.00 60.37 59.41 1uk3 h HIS 246 Cb 0.79 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 1uk3 h HIS 246 CO -0.00 0.80 -0.35 -0.24 0.86 0.00 0.00 177.93 179.01 1uk3 h VAL 247 N 0.92 0.95 -0.12 2.45 3.04 -0.54 -2.55 116.25 120.41 1uk3 h VAL 247 Ca 0.21 -1.34 -0.03 0.00 -1.01 0.00 0.00 66.70 64.54 1uk3 h VAL 247 Cb 0.24 1.79 -0.00 0.00 -2.01 0.00 0.00 31.29 31.30 1uk3 h VAL 247 CO -0.01 0.34 -0.03 0.44 -1.01 0.00 0.00 177.57 177.29 1uk3 h ASP 248 N 0.00 0.24 -0.36 3.17 3.32 -0.67 -2.82 116.42 119.30 1uk3 h ASP 248 Ca -0.00 -0.38 0.11 0.00 0.02 0.00 0.00 57.03 56.77 1uk3 h ASP 248 Cb 0.76 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 1uk3 h ASP 248 CO 0.05 0.56 0.33 0.40 -1.72 0.00 0.00 179.24 178.86 1uk3 h ILE 249 N -0.09 0.55 -0.10 0.35 2.04 -0.84 0.78 117.51 120.19 1uk3 h ILE 249 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.89 1uk3 h ILE 249 Cb 0.46 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1uk3 h ILE 249 CO 0.01 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.34 1uk3 n LEU 250 N -3.99 0.66 0.00 1.44 4.77 -0.99 -4.50 117.00 114.39 1uk3 n LEU 250 Ca 0.06 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 1uk3 n LEU 250 Cb 0.50 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1uk3 n LEU 250 CO 0.31 0.15 0.31 0.61 -1.33 0.00 0.00 177.39 177.44 1uk3 n GLY 251 N 0.79 -3.26 0.41 -0.72 0.00 0.27 -1.94 105.19 100.74 1uk3 n GLY 251 Ca 0.09 0.43 -0.08 0.00 0.00 0.00 0.00 46.02 46.46 1uk3 n GLY 251 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1uk3 h PRO 252 N 0.00 -0.01 -0.60 1.61 0.11 -1.81 0.59 132.00 131.90 1uk3 h PRO 252 Ca 0.00 0.00 0.17 0.00 0.11 0.00 0.00 66.00 66.28 1uk3 h PRO 252 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1uk3 h PRO 252 CO 0.00 -0.01 0.48 -0.07 -0.21 0.00 0.00 178.00 178.19 1uk3 h LEU 253 N -0.01 0.00 -0.02 2.35 3.38 -1.86 1.64 115.31 120.79 1uk3 h LEU 253 Ca 0.22 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.10 1uk3 h LEU 253 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1uk3 h LEU 253 CO -0.95 0.00 -0.44 -1.28 0.09 0.00 0.00 178.44 175.86 1uk3 h SER 254 N 0.00 0.00 0.74 -0.43 0.87 0.82 -3.30 113.55 112.25 1uk3 h SER 254 Ca 0.28 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.81 1uk3 h SER 254 Cb 1.24 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.21 1uk3 h SER 254 CO -0.00 0.44 -0.36 0.00 -0.53 0.00 0.00 176.83 176.38 1uk3 h ALA 255 N 1.56 -0.99 -3.19 6.23 0.00 0.34 -3.11 119.26 120.09 1uk3 h ALA 255 Ca -0.00 -0.22 -0.32 0.00 0.00 0.00 0.00 54.91 54.36 1uk3 h ALA 255 Cb 1.33 0.38 0.17 0.00 0.00 0.00 0.00 17.79 19.68 1uk3 h ALA 255 CO 0.06 -0.93 0.01 1.04 0.00 0.00 0.00 179.25 179.42 1uk3 n GLN 256 N -5.44 -3.41 0.00 0.00 6.02 -0.89 -2.51 117.38 111.15 1uk3 n GLN 256 Ca -0.13 -1.37 0.00 0.00 -0.01 0.00 0.00 57.00 55.49 1uk3 n GLN 256 Cb 0.40 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.20 1uk3 n GLN 256 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1uk3 n THR 257 N -4.82 0.00 -3.01 5.09 -2.24 -1.26 -3.74 114.28 104.30 1uk3 n THR 257 Ca 0.12 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.70 1uk3 n THR 257 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1uk3 n THR 257 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uk3 n GLY 258 N -0.70 -0.50 3.36 3.38 0.00 -1.04 -4.94 105.19 104.74 1uk3 n GLY 258 Ca 0.00 0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1uk3 n GLY 258 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uk3 s ILE 259 N -2.89 3.41 0.46 -0.61 1.01 -1.18 -5.06 121.20 116.34 1uk3 s ILE 259 Ca 0.26 -0.50 -0.24 0.00 0.00 0.00 0.00 60.65 60.17 1uk3 s ILE 259 Cb -0.13 -2.51 -0.07 0.00 0.01 0.00 0.00 42.46 39.75 1uk3 s ILE 259 CO 0.32 0.46 1.24 0.00 0.00 0.00 0.00 174.94 176.96 1uk3 s ALA 260 N 1.03 3.03 0.16 9.38 0.00 -1.26 -4.52 121.76 129.58 1uk3 s ALA 260 Ca 0.00 1.10 -0.18 0.00 0.00 0.00 0.00 51.96 52.88 1uk3 s ALA 260 Cb -0.15 -3.45 0.09 0.00 0.00 0.00 0.00 23.12 19.61 1uk3 s ALA 260 CO -0.00 -0.84 1.66 0.28 0.00 0.00 0.00 175.76 176.85 1uk3 h VAL 261 N 1.97 0.55 0.00 0.00 2.07 -1.93 0.72 116.25 119.63 1uk3 h VAL 261 Ca -0.50 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1uk3 h VAL 261 Cb 1.26 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1uk3 h VAL 261 CO 0.60 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 178.12 1uk3 h LEU 262 N -0.05 0.00 0.45 2.57 3.38 -1.91 0.10 115.31 119.85 1uk3 h LEU 262 Ca 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1uk3 h LEU 262 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1uk3 h LEU 262 CO -0.41 0.00 -0.22 0.44 0.09 0.00 0.00 178.44 178.34 1uk3 h ASP 263 N 0.00 -0.51 -0.99 -0.43 5.19 -1.17 -2.68 116.42 115.83 1uk3 h ASP 263 Ca 0.00 0.02 0.12 0.00 -0.62 0.00 0.00 57.03 56.55 1uk3 h ASP 263 Cb 0.15 0.13 -0.08 0.00 0.18 0.00 0.00 39.33 39.70 1uk3 h ASP 263 CO 0.00 -0.09 0.63 -0.03 -3.12 0.00 0.00 179.24 176.63 1uk3 h MET 264 N -1.16 0.93 -0.91 3.56 4.05 -0.67 -0.61 114.93 120.12 1uk3 h MET 264 Ca -0.06 -0.06 0.07 0.00 -0.28 0.00 0.00 59.70 59.37 1uk3 h MET 264 Cb 0.46 -0.21 -0.07 0.00 -0.80 0.00 0.00 31.60 30.99 1uk3 h MET 264 CO 0.10 0.61 0.57 0.00 0.23 0.00 0.00 176.91 178.43 1uk3 h ALA 266 N 1.43 1.29 -0.19 0.00 0.00 -0.78 0.13 119.26 121.15 1uk3 h ALA 266 Ca 0.40 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1uk3 h ALA 266 Cb 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1uk3 h ALA 266 CO -0.19 0.47 0.02 0.00 0.00 0.00 0.00 179.25 179.55 1uk3 h ALA 267 N 1.46 0.25 -0.38 0.00 0.00 -0.64 -1.70 119.26 118.24 1uk3 h ALA 267 Ca 0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1uk3 h ALA 267 Cb 0.50 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1uk3 h ALA 267 CO 0.03 -0.06 0.11 1.25 0.00 0.00 0.00 179.25 180.58 1uk3 h LEU 268 N 0.09 0.57 -0.71 0.00 6.46 -0.78 -0.97 115.31 119.97 1uk3 h LEU 268 Ca 0.06 -0.21 0.11 0.00 -0.12 0.00 0.00 57.88 57.71 1uk3 h LEU 268 Cb 0.35 -0.15 -0.08 0.00 -0.73 0.00 0.00 40.66 40.05 1uk3 h LEU 268 CO 0.01 0.63 0.32 0.50 -0.62 0.00 0.00 178.44 179.28 1uk3 h LYS 269 N 0.47 0.50 -0.48 1.25 3.64 -0.65 0.29 116.57 121.59 1uk3 h LYS 269 Ca 0.12 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1uk3 h LYS 269 Cb 0.27 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1uk3 h LYS 269 CO -0.00 0.33 0.16 1.49 -2.27 0.00 0.00 179.45 179.16 1uk3 h GLU 270 N 0.51 0.74 -0.81 1.90 4.81 -0.91 -1.34 114.58 119.48 1uk3 h GLU 270 Ca 0.37 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.46 1uk3 h GLU 270 Cb 0.47 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 1uk3 h GLU 270 CO -0.32 0.69 0.53 -0.07 -0.73 0.00 0.00 179.01 179.11 1uk3 h LEU 271 N 0.64 0.90 -0.10 1.64 3.38 0.26 -0.13 115.31 121.91 1uk3 h LEU 271 Ca 0.16 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1uk3 h LEU 271 Cb 0.25 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1uk3 h LEU 271 CO -0.01 0.64 -0.04 -0.07 0.09 0.00 0.00 178.44 179.06 1uk3 h LEU 272 N 1.06 0.20 -0.78 1.67 3.38 0.07 0.15 115.31 121.06 1uk3 h LEU 272 Ca 0.30 -0.39 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 1uk3 h LEU 272 Cb -0.07 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1uk3 h LEU 272 CO -0.07 0.55 -0.61 1.56 0.09 0.00 0.00 178.44 179.96 1uk3 h GLN 273 N -0.15 0.01 0.00 1.13 4.20 -0.99 -3.37 115.11 115.93 1uk3 h GLN 273 Ca 0.02 -0.01 -0.37 0.00 0.06 0.00 0.00 58.65 58.35 1uk3 h GLN 273 Cb 0.47 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.19 1uk3 h GLN 273 CO 0.01 0.61 -2.27 0.09 -0.67 0.00 0.00 178.83 176.61 1uk3 n ASN 274 N -3.82 1.74 0.00 1.46 3.02 -0.08 -5.11 115.26 112.46 1uk3 n ASN 274 Ca -0.01 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 1uk3 n ASN 274 Cb 0.61 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 1uk3 n ASN 274 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uk3 n GLY 275 N 1.72 0.93 0.06 7.41 0.00 0.53 -4.74 105.19 111.10 1uk3 n GLY 275 Ca -0.44 -2.22 0.11 0.00 0.00 0.00 0.00 46.02 43.47 1uk3 n GLY 275 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1uk3 n MET 276 N -0.47 0.56 -3.63 1.61 2.81 -1.26 -4.78 117.12 111.97 1uk3 n MET 276 Ca 0.00 -0.03 -0.26 0.00 -1.81 0.00 0.00 57.70 55.59 1uk3 n MET 276 Cb 0.00 -1.66 0.01 0.00 -0.71 0.00 0.00 33.22 30.87 1uk3 n MET 276 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1uk3 n ASN 277 N -2.36 -5.34 0.00 7.83 3.02 -1.26 -1.69 115.26 115.45 1uk3 n ASN 277 Ca -0.01 -0.64 0.00 0.00 -0.03 0.00 0.00 54.58 53.90 1uk3 n ASN 277 Cb 0.54 -2.05 0.00 0.00 -0.61 0.00 0.00 39.78 37.65 1uk3 n ASN 277 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uk3 n GLY 278 N -1.22 1.26 3.75 7.41 0.00 -1.26 -4.95 105.19 110.18 1uk3 n GLY 278 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 1uk3 n GLY 278 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uk3 s ARG 279 N 0.00 2.49 0.18 1.61 0.52 -0.68 -4.97 118.95 118.10 1uk3 s ARG 279 Ca 0.00 1.53 0.10 0.00 -0.52 0.00 0.00 55.73 56.84 1uk3 s ARG 279 Cb 0.00 -1.90 -0.04 0.00 0.52 0.00 0.00 34.95 33.53 1uk3 s ARG 279 CO 0.00 -1.52 -0.17 0.95 0.02 0.00 0.00 175.30 174.58 1uk3 s THR 280 N -2.22 2.74 -0.17 0.02 -4.23 -1.26 -4.75 115.64 105.78 1uk3 s THR 280 Ca 0.70 -1.83 0.02 0.00 -1.18 0.00 0.00 61.69 59.39 1uk3 s THR 280 Cb -0.24 -2.33 0.02 0.00 1.34 0.00 0.00 72.50 71.29 1uk3 s THR 280 CO 0.43 -0.09 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.59 1uk3 s ILE 281 N -1.64 2.08 -1.72 2.99 1.01 -0.91 -4.65 121.20 118.36 1uk3 s ILE 281 Ca 0.22 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.92 1uk3 s ILE 281 Cb -0.08 -1.85 0.00 0.00 0.01 0.00 0.00 42.46 40.53 1uk3 s ILE 281 CO 0.12 0.54 0.00 -0.11 0.00 0.00 0.00 174.94 175.49 1uk3 n LEU 282 N 4.41 -1.25 0.00 2.97 7.94 -1.26 -2.23 117.00 127.58 1uk3 n LEU 282 Ca -0.21 0.37 0.00 0.00 -1.11 0.00 0.00 56.01 55.06 1uk3 n LEU 282 Cb 0.51 -2.40 0.00 0.00 0.53 0.00 0.00 43.42 42.05 1uk3 n LEU 282 CO 0.26 -0.78 0.00 0.61 -1.11 0.00 0.00 177.39 176.37 1uk3 n GLY 283 N -0.38 2.78 3.92 -3.96 0.00 -1.26 -4.67 105.19 101.62 1uk3 n GLY 283 Ca -0.17 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 44.89 1uk3 n GLY 283 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uk3 s SER 284 N 0.07 4.79 0.00 1.61 0.15 -0.94 -4.95 113.70 114.43 1uk3 s SER 284 Ca 0.00 0.53 0.19 0.00 0.70 0.00 0.00 55.95 57.38 1uk3 s SER 284 Cb 0.00 -1.17 0.01 0.00 -1.71 0.00 0.00 66.02 63.15 1uk3 s SER 284 CO 0.00 -1.63 0.98 0.35 1.20 0.00 0.00 173.24 174.13 1uk3 n THR 285 N -2.98 0.00 -4.29 6.45 -2.24 -1.26 -2.14 114.28 107.81 1uk3 n THR 285 Ca 0.08 -0.32 -0.17 0.00 -2.27 0.00 0.00 64.05 61.37 1uk3 n THR 285 Cb 0.60 1.24 -0.10 0.00 -2.10 0.00 0.00 70.33 69.97 1uk3 n THR 285 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1uk3 s ILE 286 N -2.12 1.47 0.22 2.28 -5.25 -1.26 -4.93 121.20 111.61 1uk3 s ILE 286 Ca 0.16 -2.04 -0.30 0.00 -0.99 0.00 0.00 60.65 57.49 1uk3 s ILE 286 Cb 0.15 -1.86 -0.08 0.00 2.95 0.00 0.00 42.46 43.62 1uk3 s ILE 286 CO 0.46 -0.59 0.97 -0.76 -1.79 0.00 0.00 174.94 173.24 1uk3 s LEU 287 N -3.04 4.60 -0.12 0.37 1.43 -1.26 -4.89 118.68 115.77 1uk3 s LEU 287 Ca 0.17 1.97 -0.19 0.00 -1.03 0.00 0.00 54.13 55.06 1uk3 s LEU 287 Cb -0.01 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 1uk3 s LEU 287 CO 0.04 0.06 0.50 -0.70 0.23 0.00 0.00 176.35 176.49 1uk3 s GLU 288 N -0.98 4.34 -0.06 1.70 2.56 -1.26 -4.95 118.70 120.05 1uk3 s GLU 288 Ca 0.43 0.49 0.09 0.00 0.00 0.00 0.00 54.97 55.98 1uk3 s GLU 288 Cb -0.26 -3.45 0.14 0.00 2.00 0.00 0.00 34.13 32.56 1uk3 s GLU 288 CO 0.33 0.13 1.06 -0.40 -0.56 0.00 0.00 175.26 175.82 1uk3 n ASP 289 N 3.76 2.07 -0.92 -1.70 3.85 -1.26 -3.93 116.55 118.41 1uk3 n ASP 289 Ca -0.06 -2.49 0.07 0.00 -0.71 0.00 0.00 54.79 51.60 1uk3 n ASP 289 Cb 0.51 -0.21 0.23 0.00 -1.35 0.00 0.00 41.12 40.30 1uk3 n ASP 289 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1uk3 n GLU 290 N -0.92 3.04 -4.13 0.11 1.02 -1.26 -4.61 120.64 113.88 1uk3 n GLU 290 Ca 0.08 -2.44 -0.35 0.00 -0.02 0.00 0.00 57.16 54.43 1uk3 n GLU 290 Cb 0.45 -1.55 -0.12 0.00 -0.02 0.00 0.00 31.44 30.21 1uk3 n GLU 290 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1uk3 s PHE 291 N -1.61 3.09 0.45 -0.32 0.40 -1.26 -4.74 117.98 113.99 1uk3 s PHE 291 Ca 0.35 -0.27 -0.02 0.00 -0.60 0.00 0.00 56.93 56.39 1uk3 s PHE 291 Cb 0.22 -2.06 -0.01 0.00 0.51 0.00 0.00 43.02 41.68 1uk3 s PHE 291 CO 0.17 -0.09 0.70 0.95 0.70 0.00 0.00 175.22 177.65 1uk3 s THR 292 N 0.70 4.36 0.44 0.64 -4.23 -1.26 -4.44 115.64 111.85 1uk3 s THR 292 Ca 0.00 -0.28 0.17 0.00 -1.18 0.00 0.00 61.69 60.40 1uk3 s THR 292 Cb -0.14 -3.63 0.36 0.00 1.34 0.00 0.00 72.50 70.43 1uk3 s THR 292 CO 0.02 -0.50 1.93 -0.65 -0.54 0.00 0.00 174.62 174.88 1uk3 h PRO 293 N 0.36 0.34 -0.10 3.99 0.11 -1.91 -1.33 132.00 133.45 1uk3 h PRO 293 Ca -0.47 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 1uk3 h PRO 293 Cb 1.24 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1uk3 h PRO 293 CO 0.59 0.22 -0.11 0.35 -0.21 0.00 0.00 178.00 178.84 1uk3 h PHE 294 N 0.35 0.32 -0.66 0.65 3.57 -1.93 -3.04 116.94 116.19 1uk3 h PHE 294 Ca 0.35 -0.10 0.10 0.00 3.53 0.00 0.00 57.97 61.85 1uk3 h PHE 294 Cb 0.87 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.47 1uk3 h PHE 294 CO -0.00 0.69 0.28 -0.44 -2.23 0.00 0.00 178.31 176.61 1uk3 h ASP 295 N -0.15 0.32 -0.97 0.41 3.32 -1.67 0.25 116.42 117.95 1uk3 h ASP 295 Ca 0.02 0.07 0.22 0.00 0.02 0.00 0.00 57.03 57.36 1uk3 h ASP 295 Cb 0.64 0.03 -0.08 0.00 0.22 0.00 0.00 39.33 40.14 1uk3 h ASP 295 CO 0.03 0.18 0.62 0.58 -1.72 0.00 0.00 179.24 178.94 1uk3 h VAL 296 N 0.49 0.64 0.00 -1.35 2.07 -1.18 -1.54 116.25 115.38 1uk3 h VAL 296 Ca 0.33 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.65 1uk3 h VAL 296 Cb 0.39 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1uk3 h VAL 296 CO -0.30 0.09 -0.22 0.58 0.02 0.00 0.00 177.57 177.74 1uk3 h VAL 297 N 0.47 1.33 0.00 2.57 2.07 -0.92 -0.18 116.25 121.60 1uk3 h VAL 297 Ca 0.53 -2.08 0.00 0.00 0.82 0.00 0.00 66.70 65.97 1uk3 h VAL 297 Cb 1.22 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 33.58 1uk3 h VAL 297 CO -0.25 0.45 0.57 -0.09 0.02 0.00 0.00 177.57 178.27 1uk3 h ARG 298 N -1.00 0.00 0.00 1.57 2.43 0.17 -2.15 114.38 115.40 1uk3 h ARG 298 Ca -0.06 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1uk3 h ARG 298 Cb 0.89 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1uk3 h ARG 298 CO -0.03 0.00 -1.03 0.94 -1.51 0.00 0.00 179.97 178.33 1uk3 n GLN 299 N -2.56 3.47 0.00 0.20 7.27 -0.65 -5.04 117.38 120.08 1uk3 n GLN 299 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.06 1uk3 n GLN 299 Cb 0.59 -1.01 0.00 0.00 2.41 0.00 0.00 30.24 32.23 1uk3 n GLN 299 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1uk3 n SER 301 N 0.00 0.00 0.00 0.00 2.88 -1.23 -4.92 113.62 110.34 1uk3 n SER 301 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1uk3 n SER 301 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1uk3 n SER 301 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42