#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uk3 s ARG 4 N 0.00 1.30 0.03 -4.13 3.52 -1.26 -4.98 118.95 113.43 1uk3 s ARG 4 Ca 0.00 -0.25 -0.30 0.00 -0.13 0.00 0.00 55.73 55.05 1uk3 s ARG 4 Cb 0.00 -1.21 -0.05 0.00 -1.56 0.00 0.00 34.95 32.14 1uk3 s ARG 4 CO 0.00 -0.08 1.17 -1.59 -0.81 0.00 0.00 175.30 173.99 1uk3 s LYS 5 N 1.00 4.43 0.24 5.12 -2.85 -1.26 -5.02 119.74 121.39 1uk3 s LYS 5 Ca -0.09 1.70 0.08 0.00 -1.00 0.00 0.00 55.97 56.66 1uk3 s LYS 5 Cb -0.15 -3.41 -0.04 0.00 -2.06 0.00 0.00 37.83 32.17 1uk3 s LYS 5 CO 0.00 -0.28 0.11 -1.64 0.10 0.00 0.00 175.35 173.64 1uk3 s MET 6 N 1.33 2.69 0.35 1.78 -1.94 -1.26 -4.95 119.30 117.31 1uk3 s MET 6 Ca 0.57 -1.14 0.07 0.00 -1.71 0.00 0.00 55.69 53.48 1uk3 s MET 6 Cb -0.27 -2.44 -0.01 0.00 2.01 0.00 0.00 34.83 34.12 1uk3 s MET 6 CO 0.27 0.41 0.42 0.00 -0.01 0.00 0.00 175.02 176.11 1uk3 s ALA 7 N -2.09 4.13 0.55 3.03 0.00 -1.26 -4.77 121.76 121.35 1uk3 s ALA 7 Ca 0.32 -1.59 -0.18 0.00 0.00 0.00 0.00 51.96 50.51 1uk3 s ALA 7 Cb -0.08 -1.45 -0.05 0.00 0.00 0.00 0.00 23.12 21.54 1uk3 s ALA 7 CO 0.23 -0.06 1.06 -0.06 0.00 0.00 0.00 175.76 176.92 1uk3 s PHE 8 N -2.26 2.93 0.31 0.00 0.08 -1.26 -4.94 117.98 112.83 1uk3 s PHE 8 Ca 0.45 1.54 -0.30 0.00 0.12 0.00 0.00 56.93 58.74 1uk3 s PHE 8 Cb -0.08 -3.07 -0.12 0.00 -0.57 0.00 0.00 43.02 39.18 1uk3 s PHE 8 CO 0.30 -1.10 1.55 -2.30 -0.10 0.00 0.00 175.22 173.56 1uk3 n PRO 9 N -1.59 2.61 -0.22 0.24 -0.02 -1.26 -4.88 135.00 129.88 1uk3 n PRO 9 Ca 0.09 0.93 0.08 0.00 -2.02 0.00 0.00 63.50 62.58 1uk3 n PRO 9 Cb 0.52 -2.68 0.22 0.00 -0.02 0.00 0.00 33.50 31.54 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 1.78 2.43 0.14 2.55 3.41 -1.26 -4.64 113.62 118.03 1uk3 n SER 10 Ca 0.07 -1.98 -0.14 0.00 -0.26 0.00 0.00 58.87 56.57 1uk3 n SER 10 Cb 0.37 -0.29 -0.07 0.00 -0.26 0.00 0.00 64.21 63.96 1uk3 n SER 10 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1uk3 h GLY 11 N 4.98 -0.69 0.96 5.00 0.00 -2.00 -1.63 103.07 109.70 1uk3 h GLY 11 Ca 0.00 0.40 0.13 0.00 0.00 0.00 0.00 47.33 47.86 1uk3 h GLY 11 CO 0.00 -0.26 0.39 0.50 0.00 0.00 0.00 176.54 177.17 1uk3 h LYS 12 N -0.60 0.19 0.02 4.80 1.57 -1.97 -1.88 116.57 118.69 1uk3 h LYS 12 Ca 0.02 -0.01 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 1uk3 h LYS 12 Cb 0.61 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 1uk3 h LYS 12 CO -0.17 0.12 -1.35 0.28 -0.57 0.00 0.00 179.45 177.77 1uk3 h VAL 13 N 0.19 1.30 -0.70 0.50 2.07 -1.86 -3.34 116.25 114.42 1uk3 h VAL 13 Ca 0.27 -3.06 0.05 0.00 0.82 0.00 0.00 66.70 64.78 1uk3 h VAL 13 Cb 0.81 2.67 -0.05 0.00 -1.52 0.00 0.00 31.29 33.20 1uk3 h VAL 13 CO -0.05 0.76 0.42 -0.33 0.02 0.00 0.00 177.57 178.40 1uk3 h GLU 14 N 0.01 0.76 0.00 1.57 5.08 -0.48 -0.62 114.58 120.90 1uk3 h GLU 14 Ca -0.15 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1uk3 h GLU 14 Cb 1.90 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.98 1uk3 h GLU 14 CO 0.11 0.50 0.00 0.41 -1.00 0.00 0.00 179.01 179.04 1uk3 n GLY 15 N -1.29 -0.41 0.00 -3.84 0.00 -1.03 -2.05 105.19 96.57 1uk3 n GLY 15 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.25 4.30 0.13 0.00 1.00 -0.87 0.36 119.30 123.97 1uk3 s MET 17 Ca 0.00 0.30 0.03 0.00 0.00 0.00 0.00 55.69 56.02 1uk3 s MET 17 Cb 0.00 -3.44 -0.04 0.00 0.00 0.00 0.00 34.83 31.34 1uk3 s MET 17 CO 0.00 0.16 -0.06 0.14 0.00 0.00 0.00 175.02 175.26 1uk3 s VAL 18 N 0.65 0.84 -0.21 -6.03 -7.23 -0.72 -4.85 120.40 102.84 1uk3 s VAL 18 Ca 0.22 -1.98 -0.15 0.00 -1.81 0.00 0.00 61.98 58.26 1uk3 s VAL 18 Cb -0.14 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.92 1uk3 s VAL 18 CO 0.08 -0.75 0.35 -1.58 -0.31 0.00 0.00 175.10 172.89 1uk3 s GLN 19 N -3.82 4.14 -0.16 4.82 0.74 0.23 -1.26 119.66 124.34 1uk3 s GLN 19 Ca 0.16 0.10 0.00 0.00 0.05 0.00 0.00 55.36 55.67 1uk3 s GLN 19 Cb 0.05 -3.55 0.00 0.00 1.10 0.00 0.00 33.01 30.61 1uk3 s GLN 19 CO -0.01 -0.04 -0.16 0.08 -0.55 0.00 0.00 175.29 174.61 1uk3 s VAL 20 N 1.32 2.58 -0.09 1.34 1.01 -0.28 0.13 120.40 126.40 1uk3 s VAL 20 Ca 0.16 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1uk3 s VAL 20 Cb -0.15 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.16 1uk3 s VAL 20 CO 0.07 0.51 -0.11 -0.89 0.00 0.00 0.00 175.10 174.69 1uk3 s THR 21 N 0.92 1.14 -0.06 3.92 2.01 -0.41 -1.08 115.64 122.08 1uk3 s THR 21 Ca -0.03 -0.42 0.06 0.00 0.31 0.00 0.00 61.69 61.61 1uk3 s THR 21 Cb -0.15 -1.09 -0.01 0.00 0.01 0.00 0.00 72.50 71.26 1uk3 s THR 21 CO -0.02 0.37 -0.24 0.00 -0.69 0.00 0.00 174.62 174.04 1uk3 n GLY 23 N 3.05 2.95 0.69 0.00 0.00 -1.24 -0.81 105.19 109.82 1uk3 n GLY 23 Ca -0.18 0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 0.05 -4.01 2.61 5.66 -1.26 -4.94 114.28 112.39 1uk3 n THR 24 Ca 0.00 -0.38 -0.32 0.00 -3.05 0.00 0.00 64.05 60.30 1uk3 n THR 24 Cb 0.00 0.85 -0.06 0.00 -1.55 0.00 0.00 70.33 69.57 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 -1.95 4.98 -0.06 1.09 2.01 0.01 -5.10 115.64 116.63 1uk3 s THR 25 Ca 0.34 -0.39 -0.01 0.00 0.31 0.00 0.00 61.69 61.94 1uk3 s THR 25 Cb 0.20 -3.33 0.03 0.00 0.01 0.00 0.00 72.50 69.41 1uk3 s THR 25 CO 0.31 0.28 0.01 -0.89 -0.69 0.00 0.00 174.62 173.65 1uk3 s THR 26 N -1.30 0.25 0.29 -0.82 2.01 -1.26 -1.77 115.64 113.04 1uk3 s THR 26 Ca 0.27 0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.48 1uk3 s THR 26 Cb -0.12 -0.42 -0.03 0.00 0.01 0.00 0.00 72.50 71.94 1uk3 s THR 26 CO 0.18 0.23 0.28 -1.48 -0.69 0.00 0.00 174.62 173.14 1uk3 s LEU 27 N 1.91 1.42 0.55 4.42 0.05 -0.24 -4.80 118.68 121.99 1uk3 s LEU 27 Ca 0.03 -1.59 -0.07 0.00 0.05 0.00 0.00 54.13 52.55 1uk3 s LEU 27 Cb -0.12 0.70 -0.03 0.00 -2.05 0.00 0.00 46.19 44.68 1uk3 s LEU 27 CO -0.04 -1.04 0.90 0.20 -0.55 0.00 0.00 176.35 175.81 1uk3 s ASN 28 N -3.28 6.11 0.00 1.48 0.01 0.15 -1.13 114.94 118.29 1uk3 s ASN 28 Ca 0.38 1.06 -0.08 0.00 -0.71 0.00 0.00 52.86 53.51 1uk3 s ASN 28 Cb 0.03 -2.23 0.00 0.00 0.41 0.00 0.00 41.25 39.47 1uk3 s ASN 28 CO 0.22 -0.78 0.16 -0.83 -1.51 0.00 0.00 177.10 174.36 1uk3 s GLY 29 N -4.17 0.02 -0.27 0.66 0.00 -0.39 -4.31 107.32 98.86 1uk3 s GLY 29 Ca 0.51 -0.08 -0.10 0.00 0.00 0.00 0.00 44.72 45.05 1uk3 s GLY 29 CO 0.48 -0.23 0.16 -2.27 0.00 0.00 0.00 173.10 171.25 1uk3 s LEU 30 N -1.39 3.92 -0.44 0.66 0.20 0.16 -1.76 118.68 120.03 1uk3 s LEU 30 Ca -0.15 -0.04 -0.13 0.00 0.69 0.00 0.00 54.13 54.51 1uk3 s LEU 30 Cb -0.07 -2.08 0.07 0.00 -0.43 0.00 0.00 46.19 43.68 1uk3 s LEU 30 CO 0.02 -0.04 0.32 0.86 -0.29 0.00 0.00 176.35 177.23 1uk3 s TRP 31 N 1.67 3.28 -0.12 5.38 -0.00 0.16 0.79 118.94 130.09 1uk3 s TRP 31 Ca 0.07 -1.15 0.03 0.00 -0.00 0.00 0.00 56.10 55.05 1uk3 s TRP 31 Cb -0.16 -3.00 0.01 0.00 -0.00 0.00 0.00 33.47 30.32 1uk3 s TRP 31 CO 0.09 -0.80 -0.21 -0.51 -0.00 0.00 0.00 176.95 175.53 1uk3 s LEU 32 N 1.55 2.01 0.00 5.86 1.43 -0.26 -4.70 118.68 124.58 1uk3 s LEU 32 Ca 0.03 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 1uk3 s LEU 32 Cb -0.23 -1.35 0.00 0.00 0.03 0.00 0.00 46.19 44.64 1uk3 s LEU 32 CO 0.05 0.08 0.00 0.47 0.23 0.00 0.00 176.35 177.18 1uk3 n ASP 33 N 3.96 0.00 -1.17 2.29 8.00 -1.26 -1.31 116.55 127.07 1uk3 n ASP 33 Ca -0.20 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.34 1uk3 n ASP 33 Cb 0.52 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.88 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 6.37 3.91 -4.30 -2.24 3.85 -1.26 0.62 116.55 123.49 1uk3 n ASP 34 Ca 0.00 -3.17 -0.25 0.00 -0.71 0.00 0.00 54.79 50.65 1uk3 n ASP 34 Cb 0.00 -0.60 -0.13 0.00 -1.35 0.00 0.00 41.12 39.04 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 -2.93 1.82 -0.14 2.12 2.01 -0.42 -1.12 115.64 116.98 1uk3 s THR 35 Ca 0.45 -1.53 0.02 0.00 0.31 0.00 0.00 61.69 60.94 1uk3 s THR 35 Cb 0.37 -1.63 0.01 0.00 0.01 0.00 0.00 72.50 71.26 1uk3 s THR 35 CO 0.08 0.02 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.15 1uk3 s VAL 36 N -1.08 1.85 -0.15 3.82 1.01 0.31 -1.10 120.40 125.07 1uk3 s VAL 36 Ca 0.08 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.17 1uk3 s VAL 36 Cb -0.10 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1uk3 s VAL 36 CO 0.04 0.51 0.04 -0.31 0.00 0.00 0.00 175.10 175.38 1uk3 s TYR 37 N 1.03 3.22 0.22 5.22 2.02 0.24 -1.68 117.35 127.62 1uk3 s TYR 37 Ca -0.03 0.09 -0.20 0.00 -0.37 0.00 0.00 57.07 56.56 1uk3 s TYR 37 Cb -0.15 -1.97 0.03 0.00 -0.40 0.00 0.00 41.96 39.48 1uk3 s TYR 37 CO -0.05 0.26 0.60 0.00 -1.57 0.00 0.00 175.55 174.80 1uk3 s PRO 39 N -3.87 4.24 0.64 0.00 0.02 -1.26 -0.74 135.00 134.03 1uk3 s PRO 39 Ca 0.09 2.32 0.38 0.00 0.02 0.00 0.00 61.00 63.81 1uk3 s PRO 39 Cb -0.03 -3.14 2.14 0.00 0.02 0.00 0.00 34.50 33.49 1uk3 s PRO 39 CO -0.01 -0.52 2.28 0.07 -0.33 0.00 0.00 177.00 178.48 1uk3 h ARG 40 N 6.05 0.00 -0.19 5.54 0.11 -1.60 -2.58 114.38 121.71 1uk3 h ARG 40 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 1uk3 h ARG 40 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 1uk3 h ARG 40 CO 0.85 0.00 0.00 -2.39 0.10 0.00 0.00 179.97 178.53 1uk3 n HIS 41 N -3.32 0.00 0.17 4.08 1.44 -1.26 -2.36 115.22 113.96 1uk3 n HIS 41 Ca -0.02 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.79 1uk3 n HIS 41 Cb 0.13 -0.02 0.09 0.00 0.12 0.00 0.00 29.99 30.31 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 0.10 0.00 0.61 3.04 -1.85 -3.15 116.25 115.00 1uk3 h VAL 42 Ca 0.00 -1.16 0.00 0.00 -1.01 0.00 0.00 66.70 64.53 1uk3 h VAL 42 Cb 0.10 1.88 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 1uk3 h VAL 42 CO 0.00 0.06 0.00 0.16 -1.01 0.00 0.00 177.57 176.78 1uk3 h ILE 43 N 0.00 0.00 -3.12 3.17 3.07 -1.74 -3.39 117.51 115.50 1uk3 h ILE 43 Ca -0.01 -0.54 -0.54 0.00 1.55 0.00 0.00 64.86 65.32 1uk3 h ILE 43 Cb 1.06 1.53 0.21 0.00 -0.27 0.00 0.00 36.82 39.36 1uk3 h ILE 43 CO 0.01 0.00 -0.76 0.00 -1.05 0.00 0.00 178.15 176.35 1uk3 s THR 45 N -2.23 2.12 0.47 0.00 -4.23 -1.24 -4.85 115.64 105.69 1uk3 s THR 45 Ca 0.56 -1.87 0.22 0.00 -1.18 0.00 0.00 61.69 59.41 1uk3 s THR 45 Cb -0.24 -1.95 0.40 0.00 1.34 0.00 0.00 72.50 72.05 1uk3 s THR 45 CO 0.68 -0.10 1.92 0.00 -0.54 0.00 0.00 174.62 176.58 1uk3 h ALA 46 N 3.50 2.38 0.00 3.99 0.00 -2.00 0.77 119.26 127.90 1uk3 h ALA 46 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1uk3 h ALA 46 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1uk3 h ALA 46 CO 0.45 -0.60 0.00 -0.85 0.00 0.00 0.00 179.25 178.25 1uk3 n GLU 47 N -4.42 0.78 -2.83 0.00 0.28 -1.26 -4.28 120.64 108.92 1uk3 n GLU 47 Ca 0.15 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 57.07 1uk3 n GLU 47 Cb 0.67 -1.37 0.01 0.00 1.43 0.00 0.00 31.44 32.18 1uk3 n GLU 47 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1uk3 n ASP 48 N -0.87 -2.96 -0.12 -1.84 2.03 0.27 -4.91 116.55 108.14 1uk3 n ASP 48 Ca 0.14 -2.96 0.00 0.00 0.52 0.00 0.00 54.79 52.49 1uk3 n ASP 48 Cb 0.06 1.50 0.00 0.00 -0.72 0.00 0.00 41.12 41.97 1uk3 n ASP 48 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 1uk3 n MET 49 N 2.58 0.00 -2.74 -0.67 1.56 -1.23 -3.65 117.12 112.96 1uk3 n MET 49 Ca 0.17 -0.54 -0.31 0.00 -0.27 0.00 0.00 57.70 56.75 1uk3 n MET 49 Cb 0.57 -0.44 -0.02 0.00 2.15 0.00 0.00 33.22 35.49 1uk3 n MET 49 CO 0.00 0.00 0.00 -0.11 -0.73 0.00 0.00 175.97 175.13 1uk3 n LEU 50 N 0.00 5.35 -0.31 -0.89 -0.00 -1.26 -4.19 117.00 115.70 1uk3 n LEU 50 Ca 0.00 -5.50 0.00 0.00 -0.00 0.00 0.00 56.01 50.51 1uk3 n LEU 50 Cb 0.54 -0.71 0.00 0.00 -0.00 0.00 0.00 43.42 43.25 1uk3 n LEU 50 CO 0.00 2.24 0.00 -3.20 -0.00 0.00 0.00 177.39 176.43 1uk3 n ASN 51 N -0.26 -0.47 -4.75 1.96 2.85 -1.26 -4.95 115.26 108.38 1uk3 n ASN 51 Ca 0.37 0.00 -0.37 0.00 -0.11 0.00 0.00 54.58 54.47 1uk3 n ASN 51 Cb 0.39 -0.12 0.04 0.00 1.24 0.00 0.00 39.78 41.34 1uk3 n ASN 51 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1uk3 s PRO 52 N -1.42 2.94 -1.15 1.20 0.04 -1.26 -4.94 135.00 130.41 1uk3 s PRO 52 Ca 0.00 2.01 -0.10 0.00 0.04 0.00 0.00 61.00 62.95 1uk3 s PRO 52 Cb 0.00 -2.02 0.25 0.00 0.04 0.00 0.00 34.50 32.77 1uk3 s PRO 52 CO 0.00 -1.28 1.28 -1.71 0.04 0.00 0.00 177.00 175.33 1uk3 n ASN 53 N -1.46 5.55 -0.25 6.66 2.85 -1.26 -4.86 115.26 122.50 1uk3 n ASN 53 Ca 0.13 -3.08 0.04 0.00 -0.11 0.00 0.00 54.58 51.56 1uk3 n ASN 53 Cb 0.48 -1.42 0.17 0.00 1.24 0.00 0.00 39.78 40.25 1uk3 n ASN 53 CO 0.00 0.00 0.00 1.88 -2.11 0.00 0.00 177.26 177.03 1uk3 h TYR 54 N 6.56 0.52 -0.34 1.20 -1.99 -1.95 -0.39 116.97 120.58 1uk3 h TYR 54 Ca 0.23 0.03 0.07 0.00 2.00 0.00 0.00 58.73 61.07 1uk3 h TYR 54 Cb 0.83 -0.12 -0.08 0.00 2.00 0.00 0.00 36.73 39.36 1uk3 h TYR 54 CO 0.89 0.10 -0.21 1.49 -0.00 0.00 0.00 178.16 180.44 1uk3 h GLU 55 N 0.47 -0.16 -0.21 4.88 4.81 -1.99 0.65 114.58 123.03 1uk3 h GLU 55 Ca 0.39 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.60 1uk3 h GLU 55 Cb 0.54 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1uk3 h GLU 55 CO -0.37 -0.10 0.02 0.22 -0.73 0.00 0.00 179.01 178.05 1uk3 h ASP 56 N -0.16 0.35 -0.01 1.04 3.58 -1.81 -2.36 116.42 117.05 1uk3 h ASP 56 Ca 0.17 -0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.34 1uk3 h ASP 56 Cb 0.43 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.38 1uk3 h ASP 56 CO -0.44 0.54 0.01 -0.07 -2.88 0.00 0.00 179.24 176.41 1uk3 h LEU 57 N 0.14 0.00 -0.01 2.28 3.38 -0.40 -1.96 115.31 118.74 1uk3 h LEU 57 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1uk3 h LEU 57 Cb 0.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1uk3 h LEU 57 CO 0.01 0.00 -0.01 0.25 0.09 0.00 0.00 178.44 178.78 1uk3 h LEU 58 N 0.00 0.02 -1.13 1.67 5.85 0.75 -3.22 115.31 119.24 1uk3 h LEU 58 Ca 0.00 -0.55 0.10 0.00 0.84 0.00 0.00 57.88 58.27 1uk3 h LEU 58 Cb 0.02 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 40.97 1uk3 h LEU 58 CO -0.00 0.57 0.60 0.40 -0.34 0.00 0.00 178.44 179.67 1uk3 h ILE 59 N -0.53 0.96 0.00 4.05 2.04 -0.94 -1.21 117.51 121.90 1uk3 h ILE 59 Ca 0.00 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1uk3 h ILE 59 Cb 0.57 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1uk3 h ILE 59 CO 0.00 0.17 0.00 0.54 0.00 0.00 0.00 178.15 178.86 1uk3 n ARG 60 N -4.55 0.92 -3.88 2.37 1.74 -0.78 -4.76 116.66 107.72 1uk3 n ARG 60 Ca 0.16 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.13 1uk3 n ARG 60 Cb 0.31 -1.04 -0.13 0.00 -1.02 0.00 0.00 32.46 30.59 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 0.10 0.15 0.47 5.56 1.02 -0.46 -5.03 119.74 121.56 1uk3 s LYS 61 Ca 0.00 -0.12 0.05 0.00 0.02 0.00 0.00 55.97 55.92 1uk3 s LYS 61 Cb 0.00 0.06 -0.02 0.00 -0.52 0.00 0.00 37.83 37.35 1uk3 s LYS 61 CO 0.00 -0.03 0.20 -1.54 -0.92 0.00 0.00 175.35 173.07 1uk3 s SER 62 N -0.43 4.41 0.61 2.83 1.04 -1.26 -5.02 113.70 115.88 1uk3 s SER 62 Ca -0.05 -1.26 0.39 0.00 0.48 0.00 0.00 55.95 55.51 1uk3 s SER 62 Cb -0.03 -0.01 1.93 0.00 0.10 0.00 0.00 66.02 68.01 1uk3 s SER 62 CO -0.00 -0.77 2.20 0.78 0.98 0.00 0.00 173.24 176.43 1uk3 h ASN 63 N 1.22 0.00 1.20 7.02 2.35 -1.95 -2.29 115.58 123.13 1uk3 h ASN 63 Ca -0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 1uk3 h ASN 63 Cb 1.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.65 1uk3 h ASN 63 CO 0.67 0.01 0.00 1.41 -1.65 0.00 0.00 177.43 177.88 1uk3 n HIS 64 N -3.16 0.90 0.42 1.19 8.25 -1.26 -2.83 115.22 118.72 1uk3 n HIS 64 Ca -0.02 0.29 0.12 0.00 -0.26 0.00 0.00 57.72 57.86 1uk3 n HIS 64 Cb 0.18 -0.98 0.49 0.00 1.12 0.00 0.00 29.99 30.80 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 -2.26 0.69 -4.70 0.41 7.64 -0.86 -4.72 113.62 109.82 1uk3 n SER 65 Ca 0.04 0.66 -0.35 0.00 1.01 0.00 0.00 58.87 60.23 1uk3 n SER 65 Cb 0.36 -0.81 -0.09 0.00 -1.01 0.00 0.00 64.21 62.66 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 -3.30 3.35 -0.38 1.43 0.08 -1.13 -3.70 117.98 114.33 1uk3 s PHE 66 Ca 0.05 0.24 -0.04 0.00 0.12 0.00 0.00 56.93 57.29 1uk3 s PHE 66 Cb 0.10 -2.11 0.09 0.00 -0.57 0.00 0.00 43.02 40.52 1uk3 s PHE 66 CO 0.41 0.26 0.16 -1.17 -0.10 0.00 0.00 175.22 174.79 1uk3 s LEU 67 N 0.27 4.87 -0.22 -0.37 2.96 0.04 -4.71 118.68 121.52 1uk3 s LEU 67 Ca 0.06 -1.70 -0.10 0.00 -0.22 0.00 0.00 54.13 52.18 1uk3 s LEU 67 Cb -0.12 -1.84 -0.05 0.00 0.50 0.00 0.00 46.19 44.69 1uk3 s LEU 67 CO -0.01 -0.47 0.13 -0.69 -1.32 0.00 0.00 176.35 174.00 1uk3 s VAL 68 N 1.24 5.19 -0.04 1.68 1.01 -1.26 -1.28 120.40 126.94 1uk3 s VAL 68 Ca 0.04 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.18 1uk3 s VAL 68 Cb -0.22 -3.40 -0.00 0.00 0.00 0.00 0.00 36.38 32.76 1uk3 s VAL 68 CO -0.02 0.38 -0.16 -1.10 0.00 0.00 0.00 175.10 174.20 1uk3 s GLN 69 N 0.83 1.67 -0.31 2.72 -0.21 0.12 -1.54 119.66 122.95 1uk3 s GLN 69 Ca 0.07 -0.58 -0.02 0.00 0.02 0.00 0.00 55.36 54.85 1uk3 s GLN 69 Cb -0.13 -1.47 0.10 0.00 1.00 0.00 0.00 33.01 32.51 1uk3 s GLN 69 CO 0.02 0.24 0.11 0.00 -2.12 0.00 0.00 175.29 173.54 1uk3 s ALA 70 N 0.02 1.32 0.00 6.09 0.00 -0.59 0.76 121.76 129.35 1uk3 s ALA 70 Ca -0.03 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.39 1uk3 s ALA 70 Cb -0.11 -1.57 0.00 0.00 0.00 0.00 0.00 23.12 21.44 1uk3 s ALA 70 CO 0.02 -1.67 0.00 0.41 0.00 0.00 0.00 175.76 174.52 1uk3 n GLY 71 N 4.94 1.61 0.25 0.00 0.00 -1.26 -1.98 105.19 108.74 1uk3 n GLY 71 Ca -0.03 -0.65 0.14 0.00 0.00 0.00 0.00 46.02 45.48 1uk3 n GLY 71 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1uk3 n ASN 72 N 1.62 0.77 -4.76 1.61 3.02 -1.26 -4.82 115.26 111.44 1uk3 n ASN 72 Ca 0.00 -1.34 -0.36 0.00 -0.03 0.00 0.00 54.58 52.86 1uk3 n ASN 72 Cb 0.00 -0.01 -0.08 0.00 -0.61 0.00 0.00 39.78 39.08 1uk3 n ASN 72 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1uk3 s VAL 73 N -1.97 5.15 -0.04 2.41 1.01 -0.84 -5.09 120.40 121.03 1uk3 s VAL 73 Ca 0.39 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.38 1uk3 s VAL 73 Cb 0.20 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 1uk3 s VAL 73 CO 0.32 0.54 0.24 -1.58 0.00 0.00 0.00 175.10 174.62 1uk3 s GLN 74 N -0.34 3.57 -0.19 2.72 0.74 -1.26 -1.54 119.66 123.36 1uk3 s GLN 74 Ca 0.10 -0.03 -0.01 0.00 0.05 0.00 0.00 55.36 55.46 1uk3 s GLN 74 Cb -0.12 -3.14 0.00 0.00 1.10 0.00 0.00 33.01 30.86 1uk3 s GLN 74 CO 0.01 0.70 -0.12 -0.51 -0.55 0.00 0.00 175.29 174.83 1uk3 s LEU 75 N -1.42 2.56 0.05 3.68 1.43 -0.59 -4.97 118.68 119.42 1uk3 s LEU 75 Ca 0.23 -0.49 -0.31 0.00 -1.03 0.00 0.00 54.13 52.53 1uk3 s LEU 75 Cb -0.13 -1.62 -0.06 0.00 0.03 0.00 0.00 46.19 44.42 1uk3 s LEU 75 CO 0.12 0.01 1.26 -0.60 0.23 0.00 0.00 176.35 177.37 1uk3 s ARG 76 N 1.25 4.38 0.10 1.70 3.52 -1.26 -3.99 118.95 124.66 1uk3 s ARG 76 Ca 0.03 1.84 -0.23 0.00 -0.13 0.00 0.00 55.73 57.24 1uk3 s ARG 76 Cb -0.14 -3.38 -0.07 0.00 -1.56 0.00 0.00 34.95 29.80 1uk3 s ARG 76 CO -0.06 -0.35 0.68 0.14 -0.81 0.00 0.00 175.30 174.91 1uk3 s VAL 77 N 1.38 4.59 -0.24 7.11 -7.23 -1.26 -2.13 120.40 122.62 1uk3 s VAL 77 Ca 0.60 1.48 0.15 0.00 -1.81 0.00 0.00 61.98 62.39 1uk3 s VAL 77 Cb -0.30 -4.03 0.47 0.00 0.56 0.00 0.00 36.38 33.07 1uk3 s VAL 77 CO 0.28 0.51 1.17 2.30 -0.31 0.00 0.00 175.10 179.05 1uk3 n ILE 78 N 1.88 1.82 0.00 -0.62 -5.35 0.16 -4.74 119.36 112.51 1uk3 n ILE 78 Ca -0.07 -3.32 0.00 0.00 -0.27 0.00 0.00 62.75 59.09 1uk3 n ILE 78 Cb 0.50 -0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.37 1uk3 n ILE 78 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1uk3 n GLY 79 N -0.61 3.47 3.25 3.28 0.00 -1.23 -4.84 105.19 108.52 1uk3 n GLY 79 Ca 0.25 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.54 -0.54 0.18 1.61 -3.43 -1.26 -2.01 115.29 108.30 1uk3 s HIS 80 Ca 0.00 1.19 -0.03 0.00 -0.80 0.00 0.00 55.06 55.42 1uk3 s HIS 80 Cb 0.00 0.22 -0.03 0.00 -1.43 0.00 0.00 32.58 31.34 1uk3 s HIS 80 CO 0.00 -0.30 0.16 -1.54 -2.00 0.00 0.00 174.74 171.05 1uk3 s SER 81 N 1.15 0.16 -0.04 7.38 1.04 -0.93 -5.01 113.70 117.44 1uk3 s SER 81 Ca -0.08 -1.25 0.05 0.00 0.48 0.00 0.00 55.95 55.16 1uk3 s SER 81 Cb -0.07 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.41 1uk3 s SER 81 CO -0.10 -0.85 -0.19 -0.32 0.98 0.00 0.00 173.24 172.77 1uk3 s MET 82 N -4.10 2.36 -0.25 4.02 1.75 -1.26 -0.97 119.30 120.85 1uk3 s MET 82 Ca 0.31 -0.79 -0.02 0.00 -1.25 0.00 0.00 55.69 53.94 1uk3 s MET 82 Cb 0.06 -2.24 0.08 0.00 2.84 0.00 0.00 34.83 35.57 1uk3 s MET 82 CO 0.08 0.58 0.06 -1.14 -0.65 0.00 0.00 175.02 173.95 1uk3 s GLN 83 N -0.65 0.76 5.85 4.11 0.74 -0.23 -4.96 119.66 125.28 1uk3 s GLN 83 Ca 0.10 -0.75 0.00 0.00 0.05 0.00 0.00 55.36 54.76 1uk3 s GLN 83 Cb -0.11 -2.07 0.00 0.00 1.10 0.00 0.00 33.01 31.93 1uk3 s GLN 83 CO 0.00 -0.79 0.00 0.09 -0.55 0.00 0.00 175.29 174.04 1uk3 n ASN 84 N 4.94 0.00 -1.29 6.67 3.02 -1.26 -0.59 115.26 126.74 1uk3 n ASN 84 Ca -0.06 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.56 1uk3 n ASN 84 Cb 0.44 0.00 0.28 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 -1.55 2.79 -0.12 0.00 1.43 0.25 -1.78 118.68 119.70 1uk3 s LEU 86 Ca 0.39 -0.78 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1uk3 s LEU 86 Cb 0.25 -1.41 -0.02 0.00 0.03 0.00 0.00 46.19 45.05 1uk3 s LEU 86 CO 0.18 0.07 -0.09 -0.22 0.23 0.00 0.00 176.35 176.52 1uk3 s LEU 87 N -3.16 2.97 -0.29 1.79 0.20 0.08 -1.07 118.68 119.20 1uk3 s LEU 87 Ca 0.27 -0.20 -0.02 0.00 0.69 0.00 0.00 54.13 54.87 1uk3 s LEU 87 Cb -0.07 -1.68 0.04 0.00 -0.43 0.00 0.00 46.19 44.06 1uk3 s LEU 87 CO 0.15 0.22 -0.01 -0.13 -0.29 0.00 0.00 176.35 176.29 1uk3 s ARG 88 N 0.05 2.53 -0.21 1.98 0.52 -0.14 -2.50 118.95 121.18 1uk3 s ARG 88 Ca -0.03 -1.20 -0.06 0.00 -0.52 0.00 0.00 55.73 53.93 1uk3 s ARG 88 Cb -0.14 -3.16 -0.03 0.00 0.52 0.00 0.00 34.95 32.14 1uk3 s ARG 88 CO 0.04 -0.58 0.03 -0.51 0.02 0.00 0.00 175.30 174.30 1uk3 s LEU 89 N 1.28 3.39 -0.25 2.53 1.43 -0.68 -2.18 118.68 124.19 1uk3 s LEU 89 Ca -0.04 -0.16 -0.21 0.00 -1.03 0.00 0.00 54.13 52.69 1uk3 s LEU 89 Cb -0.19 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.14 1uk3 s LEU 89 CO -0.01 0.06 0.68 -0.54 0.23 0.00 0.00 176.35 176.76 1uk3 s LYS 90 N 1.06 4.12 0.48 1.70 -0.14 -0.85 -0.53 119.74 125.59 1uk3 s LYS 90 Ca 0.03 0.64 0.08 0.00 -1.36 0.00 0.00 55.97 55.36 1uk3 s LYS 90 Cb -0.14 -3.65 0.03 0.00 -1.68 0.00 0.00 37.83 32.39 1uk3 s LYS 90 CO 0.02 -0.44 0.58 0.14 -0.76 0.00 0.00 175.35 174.89 1uk3 s VAL 91 N 2.59 2.50 -0.78 3.17 -7.23 -0.28 0.38 120.40 120.75 1uk3 s VAL 91 Ca 0.28 -1.13 0.26 0.00 -1.81 0.00 0.00 61.98 59.59 1uk3 s VAL 91 Cb -0.15 -2.62 0.21 0.00 0.56 0.00 0.00 36.38 34.37 1uk3 s VAL 91 CO 0.08 0.00 1.68 -0.90 -0.31 0.00 0.00 175.10 175.65 1uk3 n ASP 92 N -1.91 0.62 -4.53 4.85 5.68 -0.90 -4.80 116.55 115.57 1uk3 n ASP 92 Ca 0.08 0.41 -0.32 0.00 -0.50 0.00 0.00 54.79 54.46 1uk3 n ASP 92 Cb 0.61 -0.46 -0.12 0.00 -1.14 0.00 0.00 41.12 40.01 1uk3 n ASP 92 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1uk3 s THR 93 N -3.09 3.28 -0.26 2.12 2.01 -1.26 -5.08 115.64 113.36 1uk3 s THR 93 Ca 0.10 -0.81 -0.14 0.00 0.31 0.00 0.00 61.69 61.16 1uk3 s THR 93 Cb 0.14 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 1uk3 s THR 93 CO 0.62 0.47 0.32 -0.55 -0.69 0.00 0.00 174.62 174.79 1uk3 s SER 94 N -1.12 6.21 -0.46 3.53 0.15 -1.26 -4.40 113.70 116.35 1uk3 s SER 94 Ca 0.14 0.24 -0.33 0.00 0.70 0.00 0.00 55.95 56.70 1uk3 s SER 94 Cb -0.11 -2.19 -0.12 0.00 -1.71 0.00 0.00 66.02 61.90 1uk3 s SER 94 CO 0.04 -0.12 2.31 -3.20 1.20 0.00 0.00 173.24 173.47 1uk3 n ASN 95 N 5.10 1.95 0.32 5.45 2.85 0.20 -4.79 115.26 126.35 1uk3 n ASN 95 Ca -0.10 0.19 0.20 0.00 -0.11 0.00 0.00 54.58 54.76 1uk3 n ASN 95 Cb 0.51 -1.29 1.10 0.00 1.24 0.00 0.00 39.78 41.35 1uk3 n ASN 95 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1uk3 h PRO 96 N 13.88 0.00 -0.33 1.20 0.11 -1.94 -1.93 132.00 142.99 1uk3 h PRO 96 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1uk3 h PRO 96 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1uk3 h PRO 96 CO 1.10 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.52 1uk3 n LYS 97 N -3.20 2.28 -1.58 1.05 5.02 -1.26 -4.97 118.16 115.50 1uk3 n LYS 97 Ca -0.03 -1.94 -0.51 0.00 -2.02 0.00 0.00 58.31 53.81 1uk3 n LYS 97 Cb 0.13 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.61 1uk3 n LYS 97 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1uk3 n THR 98 N 1.15 0.24 -2.98 -0.18 -1.04 -0.72 -4.89 114.28 105.85 1uk3 n THR 98 Ca 0.18 -0.06 -0.20 0.00 -2.04 0.00 0.00 64.05 61.93 1uk3 n THR 98 Cb 0.52 -0.78 0.08 0.00 -1.82 0.00 0.00 70.33 68.32 1uk3 n THR 98 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1uk3 s PRO 99 N 0.24 2.13 0.06 -2.82 0.04 -1.26 -5.02 135.00 128.36 1uk3 s PRO 99 Ca 0.82 -1.64 -0.31 0.00 0.04 0.00 0.00 61.00 59.91 1uk3 s PRO 99 Cb -0.94 -2.59 -0.06 0.00 0.04 0.00 0.00 34.50 30.95 1uk3 s PRO 99 CO 0.49 -1.04 1.22 0.15 0.04 0.00 0.00 177.00 177.86 1uk3 s LYS 100 N -4.78 4.41 0.24 4.56 1.02 -1.26 -4.92 119.74 119.01 1uk3 s LYS 100 Ca 0.64 1.79 -0.03 0.00 0.02 0.00 0.00 55.97 58.38 1uk3 s LYS 100 Cb -0.05 -3.36 -0.02 0.00 -0.52 0.00 0.00 37.83 33.88 1uk3 s LYS 100 CO 0.41 -0.29 0.28 1.52 -0.92 0.00 0.00 175.35 176.34 1uk3 s TYR 101 N 1.16 1.00 0.02 3.18 -0.85 -1.26 -0.03 117.35 120.57 1uk3 s TYR 101 Ca 0.59 -1.23 -0.11 0.00 -0.52 0.00 0.00 57.07 55.81 1uk3 s TYR 101 Cb -0.30 -0.32 0.01 0.00 0.38 0.00 0.00 41.96 41.73 1uk3 s TYR 101 CO 0.29 -0.81 0.22 0.15 -1.52 0.00 0.00 175.55 173.87 1uk3 s LYS 102 N -3.92 0.66 -0.20 -3.49 1.02 -0.20 -4.88 119.74 108.73 1uk3 s LYS 102 Ca 0.34 -0.47 -0.06 0.00 0.02 0.00 0.00 55.97 55.79 1uk3 s LYS 102 Cb 0.04 0.28 -0.03 0.00 -0.52 0.00 0.00 37.83 37.59 1uk3 s LYS 102 CO 0.14 -0.19 0.04 -0.06 -0.92 0.00 0.00 175.35 174.36 1uk3 s PHE 103 N -2.05 3.12 0.03 3.18 2.99 -1.26 -0.41 117.98 123.59 1uk3 s PHE 103 Ca -0.09 -0.22 0.03 0.00 0.00 0.00 0.00 56.93 56.65 1uk3 s PHE 103 Cb -0.03 -2.11 -0.02 0.00 0.00 0.00 0.00 43.02 40.86 1uk3 s PHE 103 CO -0.01 -0.10 -0.10 0.14 -0.00 0.00 0.00 175.22 175.15 1uk3 s VAL 104 N 0.85 0.76 -0.29 -0.44 -7.23 -0.87 -4.95 120.40 108.22 1uk3 s VAL 104 Ca 0.02 -0.90 -0.14 0.00 -1.81 0.00 0.00 61.98 59.16 1uk3 s VAL 104 Cb -0.14 -0.73 -0.04 0.00 0.56 0.00 0.00 36.38 36.03 1uk3 s VAL 104 CO 0.02 -0.14 0.31 -0.60 -0.31 0.00 0.00 175.10 174.38 1uk3 s ARG 105 N -1.15 3.88 0.87 4.82 3.52 -1.26 -4.37 118.95 125.26 1uk3 s ARG 105 Ca -0.03 -0.20 -0.11 0.00 -0.13 0.00 0.00 55.73 55.27 1uk3 s ARG 105 Cb -0.08 -3.69 0.17 0.00 -1.56 0.00 0.00 34.95 29.79 1uk3 s ARG 105 CO 0.01 -0.30 1.20 -1.50 -0.81 0.00 0.00 175.30 173.90 1uk3 s ILE 106 N 1.94 2.05 0.08 4.11 1.10 -1.26 -5.12 121.20 124.11 1uk3 s ILE 106 Ca 0.11 -0.20 0.03 0.00 -0.51 0.00 0.00 60.65 60.08 1uk3 s ILE 106 Cb -0.16 -2.85 -0.03 0.00 0.15 0.00 0.00 42.46 39.57 1uk3 s ILE 106 CO 0.11 0.00 -0.09 -1.10 -2.11 0.00 0.00 174.94 171.74 1uk3 s GLN 107 N -5.62 0.78 0.15 3.50 -0.21 -1.26 -5.09 119.66 111.91 1uk3 s GLN 107 Ca 0.71 -1.09 -0.34 0.00 0.02 0.00 0.00 55.36 54.66 1uk3 s GLN 107 Cb -0.05 -0.45 -0.16 0.00 1.00 0.00 0.00 33.01 33.35 1uk3 s GLN 107 CO 0.50 0.07 1.30 -2.30 -2.12 0.00 0.00 175.29 172.73 1uk3 n PRO 108 N 0.70 1.35 0.00 2.91 -0.02 -1.26 -1.17 135.00 137.51 1uk3 n PRO 108 Ca -0.17 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1uk3 n PRO 108 Cb 0.57 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 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 2.35 2.89 3.82 -1.23 0.00 0.22 -4.90 105.19 108.34 1uk3 n GLY 109 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.46 4.19 0.30 1.61 -0.21 -0.31 -4.71 119.66 120.06 1uk3 s GLN 110 Ca 0.00 0.93 0.06 0.00 0.02 0.00 0.00 55.36 56.37 1uk3 s GLN 110 Cb 0.00 -2.49 -0.02 0.00 1.00 0.00 0.00 33.01 31.50 1uk3 s GLN 110 CO 0.00 0.16 0.38 0.95 -2.12 0.00 0.00 175.29 174.67 1uk3 s THR 111 N -1.90 4.36 0.02 -0.19 -4.23 -1.26 -1.35 115.64 111.08 1uk3 s THR 111 Ca 0.54 -1.10 -0.28 0.00 -1.18 0.00 0.00 61.69 59.67 1uk3 s THR 111 Cb -0.12 -3.50 0.10 0.00 1.34 0.00 0.00 72.50 70.31 1uk3 s THR 111 CO 0.18 -0.23 0.91 0.72 -0.54 0.00 0.00 174.62 175.66 1uk3 s PHE 112 N -2.14 -0.30 0.03 3.99 -0.12 -0.90 -4.94 117.98 113.61 1uk3 s PHE 112 Ca 0.40 0.14 -0.10 0.00 -0.05 0.00 0.00 56.93 57.32 1uk3 s PHE 112 Cb -0.09 0.56 -0.05 0.00 -0.63 0.00 0.00 43.02 42.81 1uk3 s PHE 112 CO 0.29 -0.58 0.35 -1.12 -0.05 0.00 0.00 175.22 174.11 1uk3 s SER 113 N -2.56 6.61 -0.16 1.98 0.01 -0.38 -2.07 113.70 117.14 1uk3 s SER 113 Ca 0.06 0.74 0.01 0.00 1.31 0.00 0.00 55.95 58.07 1uk3 s SER 113 Cb -0.01 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 64.07 1uk3 s SER 113 CO -0.07 0.24 -0.17 -0.69 0.41 0.00 0.00 173.24 172.96 1uk3 s VAL 114 N -1.29 2.47 -0.63 3.43 1.01 0.12 -0.90 120.40 124.61 1uk3 s VAL 114 Ca 0.29 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 61.26 1uk3 s VAL 114 Cb -0.14 -2.03 0.13 0.00 0.00 0.00 0.00 36.38 34.33 1uk3 s VAL 114 CO 0.16 0.52 0.69 -0.22 0.00 0.00 0.00 175.10 176.24 1uk3 s LEU 115 N 0.91 5.79 -0.09 3.92 2.96 -0.99 -1.42 118.68 129.76 1uk3 s LEU 115 Ca -0.04 -1.76 -0.30 0.00 -0.22 0.00 0.00 54.13 51.82 1uk3 s LEU 115 Cb -0.15 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.23 1uk3 s LEU 115 CO -0.02 -0.96 1.46 0.00 -1.32 0.00 0.00 176.35 175.50 1uk3 s ALA 116 N 2.02 3.63 0.36 5.97 0.00 0.20 -4.01 121.76 129.93 1uk3 s ALA 116 Ca 0.11 0.73 0.09 0.00 0.00 0.00 0.00 51.96 52.89 1uk3 s ALA 116 Cb -0.22 -3.67 -0.07 0.00 0.00 0.00 0.00 23.12 19.15 1uk3 s ALA 116 CO 0.02 -1.23 -0.07 0.00 0.00 0.00 0.00 175.76 174.48 1uk3 s TYR 118 N -2.66 -0.46 -1.68 0.00 5.04 -0.02 -3.70 117.35 113.87 1uk3 s TYR 118 Ca 0.33 1.03 0.00 0.00 -2.44 0.00 0.00 57.07 55.99 1uk3 s TYR 118 Cb 0.04 0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.37 1uk3 s TYR 118 CO 0.17 -0.36 0.00 0.09 -1.34 0.00 0.00 175.55 174.11 1uk3 n ASN 119 N 5.22 -5.56 0.00 4.32 4.13 -1.23 -1.20 115.26 120.93 1uk3 n ASN 119 Ca -0.09 0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.18 1uk3 n ASN 119 Cb 0.50 -4.61 0.00 0.00 -1.54 0.00 0.00 39.78 34.13 1uk3 n ASN 119 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1uk3 n GLY 120 N -1.00 0.74 3.40 7.41 0.00 -1.26 -4.46 105.19 110.02 1uk3 n GLY 120 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.48 4.63 -0.07 1.61 0.15 -0.34 -4.28 113.70 112.93 1uk3 s SER 121 Ca 0.00 -0.27 -0.29 0.00 0.70 0.00 0.00 55.95 56.09 1uk3 s SER 121 Cb 0.00 -1.79 -0.07 0.00 -1.71 0.00 0.00 66.02 62.45 1uk3 s SER 121 CO 0.00 0.04 1.93 -2.84 1.20 0.00 0.00 173.24 173.57 1uk3 s PRO 122 N 1.15 3.88 -0.07 5.44 0.02 -1.26 -0.84 135.00 143.32 1uk3 s PRO 122 Ca 0.02 2.30 0.01 0.00 0.02 0.00 0.00 61.00 63.36 1uk3 s PRO 122 Cb -0.14 -4.17 -0.05 0.00 0.02 0.00 0.00 34.50 30.16 1uk3 s PRO 122 CO 0.01 -1.24 -0.06 0.45 -0.33 0.00 0.00 177.00 175.83 1uk3 n SER 123 N 8.52 3.48 -3.73 2.53 2.88 -0.35 -4.95 113.62 121.99 1uk3 n SER 123 Ca 0.22 -0.03 -0.10 0.00 -1.33 0.00 0.00 58.87 57.62 1uk3 n SER 123 Cb 0.43 -0.05 -0.06 0.00 -0.75 0.00 0.00 64.21 63.78 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 -4.59 -0.10 -0.03 0.46 0.00 -0.33 -5.00 107.32 97.74 1uk3 s GLY 124 Ca -0.09 -0.30 0.02 0.00 0.00 0.00 0.00 44.72 44.34 1uk3 s GLY 124 CO 0.16 -0.51 -0.05 0.54 0.00 0.00 0.00 173.10 173.24 1uk3 s VAL 125 N -3.84 0.52 0.11 1.40 0.11 -1.26 0.60 120.40 118.04 1uk3 s VAL 125 Ca 0.05 -0.19 -0.08 0.00 -2.93 0.00 0.00 61.98 58.83 1uk3 s VAL 125 Cb 0.03 -0.50 -0.01 0.00 -1.53 0.00 0.00 36.38 34.37 1uk3 s VAL 125 CO -0.11 0.19 0.20 -0.72 -3.33 0.00 0.00 175.10 171.33 1uk3 s TYR 126 N 0.45 0.29 -0.18 1.54 -0.85 -0.51 -4.98 117.35 113.11 1uk3 s TYR 126 Ca -0.06 -0.71 -0.06 0.00 -0.52 0.00 0.00 57.07 55.72 1uk3 s TYR 126 Cb -0.09 -0.10 -0.04 0.00 0.38 0.00 0.00 41.96 42.11 1uk3 s TYR 126 CO 0.00 -0.59 0.03 -1.14 -1.52 0.00 0.00 175.55 172.34 1uk3 s GLN 127 N -3.91 3.85 0.28 -3.49 2.00 -1.26 0.14 119.66 117.28 1uk3 s GLN 127 Ca 0.10 -0.41 0.02 0.00 -2.00 0.00 0.00 55.36 53.07 1uk3 s GLN 127 Cb 0.05 -3.13 -0.03 0.00 0.80 0.00 0.00 33.01 30.70 1uk3 s GLN 127 CO -0.07 0.22 0.26 0.00 -0.50 0.00 0.00 175.29 175.21 1uk3 s ALA 129 N -3.66 1.77 -0.19 0.00 0.00 -1.26 -2.11 121.76 116.31 1uk3 s ALA 129 Ca 0.38 -1.07 -0.29 0.00 0.00 0.00 0.00 51.96 50.98 1uk3 s ALA 129 Cb 0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 1uk3 s ALA 129 CO 0.21 0.40 1.28 1.41 0.00 0.00 0.00 175.76 179.06 1uk3 s MET 130 N -1.20 4.17 0.94 0.00 1.75 -0.46 -4.65 119.30 119.86 1uk3 s MET 130 Ca 0.08 1.60 -0.11 0.00 -1.25 0.00 0.00 55.69 56.00 1uk3 s MET 130 Cb -0.09 -3.79 0.16 0.00 2.84 0.00 0.00 34.83 33.95 1uk3 s MET 130 CO 0.02 -0.79 1.11 1.03 -0.65 0.00 0.00 175.02 175.73 1uk3 s ARG 131 N 3.65 0.83 0.39 4.11 1.81 0.16 0.69 118.95 130.59 1uk3 s ARG 131 Ca 0.56 1.26 0.28 0.00 -1.72 0.00 0.00 55.73 56.10 1uk3 s ARG 131 Cb -0.21 -1.73 1.30 0.00 -0.45 0.00 0.00 34.95 33.87 1uk3 s ARG 131 CO 0.17 -2.66 1.84 -1.35 -0.68 0.00 0.00 175.30 172.62 1uk3 h PRO 132 N -1.88 0.00 -0.62 3.54 0.11 -1.86 -2.18 132.00 129.12 1uk3 h PRO 132 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1uk3 h PRO 132 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1uk3 h PRO 132 CO 0.46 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.52 1uk3 n ASN 133 N -2.53 5.28 -0.61 -2.05 0.23 -1.26 -4.91 115.26 109.41 1uk3 n ASN 133 Ca 0.00 -2.69 -0.07 0.00 -0.53 0.00 0.00 54.58 51.30 1uk3 n ASN 133 Cb 0.17 -0.64 -0.02 0.00 -2.08 0.00 0.00 39.78 37.22 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 0.90 -0.10 -4.63 -2.53 8.25 -0.82 -4.50 115.22 111.80 1uk3 n HIS 134 Ca 0.27 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.42 1uk3 n HIS 134 Cb 1.05 -1.64 -0.08 0.00 1.12 0.00 0.00 29.99 30.45 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 -2.28 1.40 0.02 1.59 -4.23 -1.25 -4.45 115.64 106.43 1uk3 s THR 135 Ca 0.00 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 58.59 1uk3 s THR 135 Cb 0.00 -2.34 -0.01 0.00 1.34 0.00 0.00 72.50 71.49 1uk3 s THR 135 CO 0.00 0.00 -0.05 0.27 -0.54 0.00 0.00 174.62 174.30 1uk3 s ILE 136 N -2.83 0.38 -1.13 2.99 -4.36 -0.68 0.37 121.20 115.94 1uk3 s ILE 136 Ca 0.15 -0.63 -0.12 0.00 -0.26 0.00 0.00 60.65 59.79 1uk3 s ILE 136 Cb 0.03 -0.40 0.22 0.00 1.25 0.00 0.00 42.46 43.56 1uk3 s ILE 136 CO 0.08 -0.17 1.23 -0.54 0.24 0.00 0.00 174.94 175.78 1uk3 s LYS 137 N -0.86 4.09 0.26 0.37 1.02 -1.26 -0.98 119.74 122.39 1uk3 s LYS 137 Ca -0.05 -2.83 -0.00 0.00 0.02 0.00 0.00 55.97 53.10 1uk3 s LYS 137 Cb -0.06 -4.78 -0.04 0.00 -0.52 0.00 0.00 37.83 32.43 1uk3 s LYS 137 CO -0.00 -1.49 0.45 0.20 -0.92 0.00 0.00 175.35 173.59 1uk3 s GLY 138 N 2.12 1.58 -0.42 -3.33 0.00 -1.26 -5.03 107.32 100.98 1uk3 s GLY 138 Ca 0.35 -0.88 -0.14 0.00 0.00 0.00 0.00 44.72 44.05 1uk3 s GLY 138 CO -0.05 -0.83 0.31 -0.45 0.00 0.00 0.00 173.10 172.08 1uk3 s SER 139 N -3.54 6.05 -0.13 1.64 0.15 -1.26 -4.91 113.70 111.69 1uk3 s SER 139 Ca 0.39 -1.05 0.00 0.00 0.70 0.00 0.00 55.95 55.99 1uk3 s SER 139 Cb -0.10 -2.14 -0.01 0.00 -1.71 0.00 0.00 66.02 62.06 1uk3 s SER 139 CO 0.31 -0.49 -0.14 -0.36 1.20 0.00 0.00 173.24 173.76 1uk3 s PHE 140 N 1.64 2.80 0.48 3.44 2.99 -1.26 -5.06 117.98 123.01 1uk3 s PHE 140 Ca 0.04 -0.72 -0.06 0.00 0.00 0.00 0.00 56.93 56.19 1uk3 s PHE 140 Cb -0.21 -1.85 0.11 0.00 0.00 0.00 0.00 43.02 41.08 1uk3 s PHE 140 CO 0.08 -0.26 0.66 1.47 -0.00 0.00 0.00 175.22 177.17 1uk3 n LEU 141 N 3.61 0.00 -4.76 -0.37 -0.00 -1.26 -5.02 117.00 109.20 1uk3 n LEU 141 Ca -0.18 -0.90 -0.39 0.00 -0.00 0.00 0.00 56.01 54.54 1uk3 n LEU 141 Cb 0.53 -0.48 0.03 0.00 -0.00 0.00 0.00 43.42 43.49 1uk3 n LEU 141 CO 0.30 -0.93 1.03 0.20 -0.00 0.00 0.00 177.39 177.99 1uk3 s ASN 142 N -3.48 5.62 -0.49 1.45 0.01 -1.26 -3.79 114.94 113.01 1uk3 s ASN 142 Ca 0.39 2.84 -0.06 0.00 -0.71 0.00 0.00 52.86 55.32 1uk3 s ASN 142 Cb -0.01 -2.64 0.01 0.00 0.41 0.00 0.00 41.25 39.01 1uk3 s ASN 142 CO 0.27 -1.34 0.32 0.61 -1.51 0.00 0.00 177.10 175.45 1uk3 n GLY 143 N 0.64 -0.60 1.06 0.66 0.00 -1.26 -4.69 105.19 101.01 1uk3 n GLY 143 Ca 0.07 0.27 0.10 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.96 3.48 -4.74 1.61 3.41 -1.24 -3.57 113.62 111.61 1uk3 n SER 144 Ca -0.13 -1.98 -0.41 0.00 -0.26 0.00 0.00 58.87 56.09 1uk3 n SER 144 Cb 0.34 -0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 63.91 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 2.21 3.02 3.76 0.00 0.00 -0.83 0.34 105.19 113.69 1uk3 n GLY 146 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.34 6.45 0.31 1.61 0.01 -0.69 -4.47 113.70 115.59 1uk3 s SER 147 Ca 0.00 2.91 0.08 0.00 1.31 0.00 0.00 55.95 60.26 1uk3 s SER 147 Cb 0.00 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 1uk3 s SER 147 CO 0.00 -0.82 0.11 0.68 0.41 0.00 0.00 173.24 173.62 1uk3 s VAL 148 N -0.54 3.25 -0.07 3.43 -7.23 -1.26 -2.14 120.40 115.85 1uk3 s VAL 148 Ca 0.57 -1.72 -0.02 0.00 -1.81 0.00 0.00 61.98 59.00 1uk3 s VAL 148 Cb -0.45 -2.98 -0.03 0.00 0.56 0.00 0.00 36.38 33.47 1uk3 s VAL 148 CO 0.53 -0.24 0.02 -0.83 -0.31 0.00 0.00 175.10 174.27 1uk3 s GLY 149 N -3.80 1.89 0.24 2.32 0.00 0.44 -2.34 107.32 106.07 1uk3 s GLY 149 Ca 0.36 -0.82 -0.20 0.00 0.00 0.00 0.00 44.72 44.05 1uk3 s GLY 149 CO 0.22 -0.61 0.64 -0.11 0.00 0.00 0.00 173.10 173.24 1uk3 s PHE 150 N -0.96 -0.20 0.11 1.90 -0.12 -0.08 -0.63 117.98 118.01 1uk3 s PHE 150 Ca 0.15 -0.18 0.04 0.00 -0.05 0.00 0.00 56.93 56.90 1uk3 s PHE 150 Cb -0.11 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 1uk3 s PHE 150 CO 0.05 -1.08 -0.11 -0.80 -0.05 0.00 0.00 175.22 173.23 1uk3 s ASN 151 N -2.88 1.58 -0.34 1.98 0.01 -0.52 -1.25 114.94 113.52 1uk3 s ASN 151 Ca 0.10 -0.83 0.03 0.00 -0.71 0.00 0.00 52.86 51.45 1uk3 s ASN 151 Cb -0.04 -0.01 0.10 0.00 0.41 0.00 0.00 41.25 41.72 1uk3 s ASN 151 CO 0.01 -0.25 0.06 -0.63 -1.51 0.00 0.00 177.10 174.78 1uk3 s ILE 152 N -2.47 2.09 -0.53 0.60 1.01 -1.26 -0.54 121.20 120.09 1uk3 s ILE 152 Ca 0.07 -2.23 -0.12 0.00 0.00 0.00 0.00 60.65 58.37 1uk3 s ILE 152 Cb -0.03 -2.55 0.13 0.00 0.01 0.00 0.00 42.46 40.03 1uk3 s ILE 152 CO 0.01 -0.61 0.44 -1.81 0.00 0.00 0.00 174.94 172.96 1uk3 s ASP 153 N 0.98 5.93 0.29 3.58 -0.00 -0.68 -4.87 116.67 121.90 1uk3 s ASP 153 Ca 0.11 -1.98 0.00 0.00 -0.00 0.00 0.00 52.55 50.68 1uk3 s ASP 153 Cb -0.19 -2.09 0.00 0.00 -0.00 0.00 0.00 42.92 40.65 1uk3 s ASP 153 CO -0.10 -0.72 0.00 -1.22 -0.00 0.00 0.00 175.17 173.12 1uk3 n TYR 154 N 4.88 0.00 -0.41 4.23 4.02 -1.26 -2.65 117.16 125.96 1uk3 n TYR 154 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 1uk3 n TYR 154 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.73 1uk3 n TYR 154 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1uk3 n ASP 155 N 7.67 0.62 -4.72 7.72 5.75 -1.26 -5.03 116.55 127.30 1uk3 n ASP 155 Ca 0.00 -1.02 -0.38 0.00 -0.01 0.00 0.00 54.79 53.38 1uk3 n ASP 155 Cb 0.00 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.03 1uk3 n ASP 155 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1uk3 s VAL 157 N 0.68 5.20 -0.48 0.00 1.01 0.95 -1.69 120.40 126.07 1uk3 s VAL 157 Ca 0.24 0.61 -0.15 0.00 0.00 0.00 0.00 61.98 62.68 1uk3 s VAL 157 Cb -0.15 -3.70 0.08 0.00 0.00 0.00 0.00 36.38 32.62 1uk3 s VAL 157 CO 0.09 0.21 0.40 -0.44 0.00 0.00 0.00 175.10 175.36 1uk3 s SER 158 N 1.32 6.08 -0.25 3.32 0.01 0.30 -1.04 113.70 123.44 1uk3 s SER 158 Ca 0.16 -1.44 -0.26 0.00 1.31 0.00 0.00 55.95 55.72 1uk3 s SER 158 Cb -0.15 -2.16 -0.00 0.00 0.21 0.00 0.00 66.02 63.92 1uk3 s SER 158 CO 0.08 -0.67 0.89 -0.36 0.41 0.00 0.00 173.24 173.59 1uk3 s PHE 159 N 1.60 3.30 0.00 2.43 0.08 0.46 -1.44 117.98 124.41 1uk3 s PHE 159 Ca 0.04 1.19 0.00 0.00 0.12 0.00 0.00 56.93 58.28 1uk3 s PHE 159 Cb -0.25 -3.14 0.00 0.00 -0.57 0.00 0.00 43.02 39.06 1uk3 s PHE 159 CO 0.05 -0.45 0.37 0.00 -0.10 0.00 0.00 175.22 175.10 1uk3 s TYR 161 N -0.01 -0.63 -0.01 0.00 5.04 -1.01 -4.53 117.35 116.20 1uk3 s TYR 161 Ca 0.00 1.22 0.01 0.00 -2.44 0.00 0.00 57.07 55.85 1uk3 s TYR 161 Cb 0.00 0.38 0.01 0.00 0.35 0.00 0.00 41.96 42.70 1uk3 s TYR 161 CO 0.00 -0.50 -0.02 1.41 -1.34 0.00 0.00 175.55 175.10 1uk3 s MET 162 N -0.77 0.27 -0.06 4.97 -2.45 -0.30 0.17 119.30 121.13 1uk3 s MET 162 Ca -0.06 -0.04 -0.22 0.00 -1.25 0.00 0.00 55.69 54.11 1uk3 s MET 162 Cb -0.01 -0.33 -0.04 0.00 1.25 0.00 0.00 34.83 35.69 1uk3 s MET 162 CO 0.06 -0.01 0.65 -1.58 1.05 0.00 0.00 175.02 175.18 1uk3 s HIS 163 N 0.34 3.59 0.10 4.11 2.46 -0.91 -1.34 115.29 123.65 1uk3 s HIS 163 Ca -0.03 1.19 0.00 0.00 0.47 0.00 0.00 55.06 56.69 1uk3 s HIS 163 Cb -0.06 -2.73 0.00 0.00 -0.13 0.00 0.00 32.58 29.66 1uk3 s HIS 163 CO -0.01 0.16 0.00 0.72 -2.47 0.00 0.00 174.74 173.14 1uk3 n HIS 164 N 3.53 -0.14 -4.21 3.88 8.25 -1.08 -1.97 115.22 123.49 1uk3 n HIS 164 Ca -0.03 0.03 -0.23 0.00 -0.26 0.00 0.00 57.72 57.22 1uk3 n HIS 164 Cb 0.51 0.03 -0.07 0.00 1.12 0.00 0.00 29.99 31.59 1uk3 n HIS 164 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1uk3 s MET 165 N -2.00 2.41 -0.41 -0.41 -1.94 -0.54 -4.92 119.30 111.49 1uk3 s MET 165 Ca 0.00 -1.41 0.02 0.00 -1.71 0.00 0.00 55.69 52.59 1uk3 s MET 165 Cb 0.00 -2.22 0.12 0.00 2.01 0.00 0.00 34.83 34.74 1uk3 s MET 165 CO 0.00 0.28 0.18 -2.00 -0.01 0.00 0.00 175.02 173.47 1uk3 s GLU 166 N -3.75 1.32 0.72 2.03 2.12 -1.26 -2.39 118.70 117.48 1uk3 s GLU 166 Ca 0.34 -1.89 -0.16 0.00 0.36 0.00 0.00 54.97 53.61 1uk3 s GLU 166 Cb -0.05 -2.59 -0.02 0.00 0.26 0.00 0.00 34.13 31.73 1uk3 s GLU 166 CO 0.21 -1.08 0.78 1.28 -0.54 0.00 0.00 175.26 175.92 1uk3 n LEU 167 N 3.87 2.33 0.07 2.70 4.32 -0.42 -4.77 117.00 125.10 1uk3 n LEU 167 Ca 0.05 0.64 0.21 0.00 -0.02 0.00 0.00 56.01 56.88 1uk3 n LEU 167 Cb 0.37 -1.32 0.69 0.00 -1.62 0.00 0.00 43.42 41.54 1uk3 n LEU 167 CO 0.23 -2.51 1.19 -0.65 -1.22 0.00 0.00 177.39 174.43 1uk3 h PRO 168 N -0.28 0.00 0.00 3.23 0.11 -1.88 0.99 132.00 134.17 1uk3 h PRO 168 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1uk3 h PRO 168 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1uk3 h PRO 168 CO 0.45 0.00 0.00 1.15 -0.21 0.00 0.00 178.00 179.39 1uk3 h THR 169 N 0.00 0.00 0.00 -1.15 2.02 -1.93 -3.46 112.91 108.39 1uk3 h THR 169 Ca 0.22 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1uk3 h THR 169 Cb 1.34 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 69.42 1uk3 h THR 169 CO -0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1uk3 n GLY 170 N 0.66 2.02 3.91 2.16 0.00 0.34 -5.08 105.19 109.20 1uk3 n GLY 170 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1uk3 n GLY 170 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1uk3 s VAL 171 N -2.46 1.99 0.16 1.61 -7.23 -1.26 -4.78 120.40 108.43 1uk3 s VAL 171 Ca 0.00 0.00 0.10 0.00 -1.81 0.00 0.00 61.98 60.27 1uk3 s VAL 171 Cb 0.00 -2.98 -0.04 0.00 0.56 0.00 0.00 36.38 33.92 1uk3 s VAL 171 CO 0.00 0.00 -0.20 -1.00 -0.31 0.00 0.00 175.10 173.59 1uk3 s HIS 172 N -3.76 2.42 -0.01 2.82 0.09 -0.15 -1.30 115.29 115.40 1uk3 s HIS 172 Ca 0.70 -0.31 0.01 0.00 -0.00 0.00 0.00 55.06 55.46 1uk3 s HIS 172 Cb -0.06 -1.23 0.00 0.00 -0.00 0.00 0.00 32.58 31.29 1uk3 s HIS 172 CO 0.52 0.45 -0.04 0.00 -0.00 0.00 0.00 174.74 175.67 1uk3 s ALA 173 N -1.47 0.43 0.00 -1.40 0.00 -1.01 -1.69 121.76 116.62 1uk3 s ALA 173 Ca 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.03 1uk3 s ALA 173 Cb -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.85 1uk3 s ALA 173 CO 0.10 0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.34 1uk3 n GLY 174 N 3.28 4.41 3.39 0.00 0.00 -1.26 -1.46 105.19 113.54 1uk3 n GLY 174 Ca -0.17 -1.24 -0.21 0.00 0.00 0.00 0.00 46.02 44.41 1uk3 n GLY 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uk3 s THR 175 N -1.68 0.37 0.69 2.61 -4.23 -0.45 -1.45 115.64 111.50 1uk3 s THR 175 Ca 0.00 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.44 1uk3 s THR 175 Cb 0.00 -2.46 0.15 0.00 1.34 0.00 0.00 72.50 71.53 1uk3 s THR 175 CO 0.00 0.00 0.94 -0.90 -0.54 0.00 0.00 174.62 174.12 1uk3 n ASP 176 N -1.17 0.61 -0.72 3.99 5.68 -0.76 -1.15 116.55 123.03 1uk3 n ASP 176 Ca -0.00 -1.67 0.00 0.00 -0.50 0.00 0.00 54.79 52.62 1uk3 n ASP 176 Cb 0.64 -0.67 0.03 0.00 -1.14 0.00 0.00 41.12 39.98 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 1.79 -0.05 -2.12 7.99 -1.26 -1.78 117.00 121.57 1uk3 n LEU 177 Ca 0.13 -0.90 0.01 0.00 -0.01 0.00 0.00 56.01 55.24 1uk3 n LEU 177 Cb 0.47 -0.52 0.01 0.00 -0.11 0.00 0.00 43.42 43.27 1uk3 n LEU 177 CO 0.33 0.34 0.33 1.21 -1.51 0.00 0.00 177.39 178.09 1uk3 n GLU 178 N 0.12 0.13 0.00 3.23 2.13 -1.26 -5.01 120.64 119.97 1uk3 n GLU 178 Ca 0.03 -0.82 0.00 0.00 0.66 0.00 0.00 57.16 57.03 1uk3 n GLU 178 Cb 0.38 -1.02 0.00 0.00 0.27 0.00 0.00 31.44 31.07 1uk3 n GLU 178 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1uk3 n GLY 179 N -0.06 1.75 3.67 8.31 0.00 -0.74 -4.41 105.19 113.72 1uk3 n GLY 179 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.66 4.31 1.05 1.61 1.02 -1.26 -1.36 119.74 124.45 1uk3 s LYS 180 Ca 0.00 1.10 -0.15 0.00 0.02 0.00 0.00 55.97 56.95 1uk3 s LYS 180 Cb 0.00 -3.58 0.12 0.00 -0.52 0.00 0.00 37.83 33.86 1uk3 s LYS 180 CO 0.00 -0.35 0.46 1.19 -0.92 0.00 0.00 175.35 175.72 1uk3 n PHE 181 N 5.30 -1.13 -3.99 3.18 3.01 -1.26 -1.83 117.46 120.73 1uk3 n PHE 181 Ca 0.06 0.14 -0.35 0.00 1.01 0.00 0.00 57.45 58.31 1uk3 n PHE 181 Cb 0.48 -1.71 -0.13 0.00 -0.01 0.00 0.00 39.48 38.11 1uk3 n PHE 181 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1uk3 s TYR 182 N -2.37 2.99 0.00 1.38 2.02 -0.53 -4.77 117.35 116.08 1uk3 s TYR 182 Ca 0.60 -0.69 0.00 0.00 -0.37 0.00 0.00 57.07 56.61 1uk3 s TYR 182 Cb -0.19 -2.10 0.00 0.00 -0.40 0.00 0.00 41.96 39.27 1uk3 s TYR 182 CO 0.65 -0.40 0.00 0.41 -1.57 0.00 0.00 175.55 174.64 1uk3 n GLY 183 N 4.56 0.21 2.11 0.71 0.00 -1.26 -4.58 105.19 106.93 1uk3 n GLY 183 Ca -0.18 -1.89 -0.16 0.00 0.00 0.00 0.00 46.02 43.80 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 0.34 2.15 -4.36 1.61 -0.04 -1.26 -4.90 135.00 128.53 1uk3 n PRO 184 Ca 0.00 -1.31 -0.26 0.00 -0.04 0.00 0.00 63.50 61.89 1uk3 n PRO 184 Cb 0.00 -2.06 -0.10 0.00 -0.04 0.00 0.00 33.50 31.31 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 0.50 2.50 0.10 0.54 0.08 -1.26 -4.95 117.98 115.48 1uk3 s PHE 185 Ca 0.65 -0.28 0.06 0.00 0.12 0.00 0.00 56.93 57.48 1uk3 s PHE 185 Cb 0.33 -1.18 -0.03 0.00 -0.57 0.00 0.00 43.02 41.56 1uk3 s PHE 185 CO -0.05 0.57 -0.14 0.14 -0.10 0.00 0.00 175.22 175.64 1uk3 s VAL 186 N -1.95 1.26 -1.10 -0.44 -7.23 -1.26 -4.80 120.40 104.87 1uk3 s VAL 186 Ca 0.26 -1.56 -0.21 0.00 -1.81 0.00 0.00 61.98 58.66 1uk3 s VAL 186 Cb -0.07 -1.36 0.06 0.00 0.56 0.00 0.00 36.38 35.56 1uk3 s VAL 186 CO 0.15 -0.34 1.52 1.51 -0.31 0.00 0.00 175.10 177.64 1uk3 s ASP 187 N -2.17 6.61 -0.30 4.85 -4.77 -1.26 -4.84 116.67 114.79 1uk3 s ASP 187 Ca 0.05 -1.77 -0.28 0.00 -3.30 0.00 0.00 52.55 47.25 1uk3 s ASP 187 Cb -0.07 -2.57 0.20 0.00 -1.09 0.00 0.00 42.92 39.39 1uk3 s ASP 187 CO 0.03 -1.39 1.41 0.00 0.70 0.00 0.00 175.17 175.91 1uk3 s ARG 188 N 4.67 0.02 -0.66 2.11 1.70 -1.26 -4.85 118.95 120.69 1uk3 s ARG 188 Ca 0.48 0.01 -0.26 0.00 -0.47 0.00 0.00 55.73 55.49 1uk3 s ARG 188 Cb 0.01 0.01 -0.02 0.00 -0.57 0.00 0.00 34.95 34.38 1uk3 s ARG 188 CO -0.05 -0.01 1.82 -0.65 -1.08 0.00 0.00 175.30 175.34 1uk3 s GLN 189 N -0.78 2.67 0.23 3.89 1.11 -1.26 -4.91 119.66 120.61 1uk3 s GLN 189 Ca 0.09 0.43 0.01 0.00 0.01 0.00 0.00 55.36 55.90 1uk3 s GLN 189 Cb -0.02 -4.46 -0.05 0.00 -1.01 0.00 0.00 33.01 27.48 1uk3 s GLN 189 CO -0.10 -2.76 0.09 0.99 0.01 0.00 0.00 175.29 173.52 1uk3 s THR 190 N 8.90 0.41 0.06 -0.19 2.01 -1.26 -4.72 115.64 120.85 1uk3 s THR 190 Ca 0.65 -1.99 -0.20 0.00 0.31 0.00 0.00 61.69 60.46 1uk3 s THR 190 Cb -0.11 -2.50 -0.08 0.00 0.01 0.00 0.00 72.50 69.81 1uk3 s THR 190 CO 0.18 -0.09 1.31 0.00 -0.69 0.00 0.00 174.62 175.33 1uk3 h ALA 191 N 2.51 -0.81 -0.11 7.40 0.00 -2.02 -3.48 119.26 122.75 1uk3 h ALA 191 Ca -0.37 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1uk3 h ALA 191 Cb 1.24 0.70 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1uk3 h ALA 191 CO 0.59 -0.89 0.00 0.00 0.00 0.00 0.00 179.25 178.95 1uk3 n GLN 192 N -4.16 0.00 -4.32 0.00 10.64 -1.26 -4.84 117.38 113.44 1uk3 n GLN 192 Ca -0.05 0.00 -0.22 0.00 -1.83 0.00 0.00 57.00 54.90 1uk3 n GLN 192 Cb 0.23 -0.02 -0.12 0.00 -0.86 0.00 0.00 30.24 29.48 1uk3 n GLN 192 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1uk3 s ALA 193 N -0.01 1.93 0.21 2.61 0.00 -1.26 -4.73 121.76 120.51 1uk3 s ALA 193 Ca 0.00 -1.41 -0.01 0.00 0.00 0.00 0.00 51.96 50.54 1uk3 s ALA 193 Cb 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 1uk3 s ALA 193 CO 0.00 0.27 0.40 0.00 0.00 0.00 0.00 175.76 176.43 1uk3 s ALA 194 N -1.78 3.82 0.58 0.00 0.00 -1.26 -5.01 121.76 118.11 1uk3 s ALA 194 Ca 0.13 -0.82 -0.20 0.00 0.00 0.00 0.00 51.96 51.06 1uk3 s ALA 194 Cb -0.07 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 1uk3 s ALA 194 CO 0.06 0.41 1.32 0.20 0.00 0.00 0.00 175.76 177.75 1uk3 s GLY 195 N -3.19 2.86 0.68 0.00 0.00 -1.26 -4.90 107.32 101.51 1uk3 s GLY 195 Ca 0.39 1.26 -0.17 0.00 0.00 0.00 0.00 44.72 46.20 1uk3 s GLY 195 CO 0.29 1.74 0.61 -1.30 0.00 0.00 0.00 173.10 174.44 1uk3 n THR 196 N -1.31 2.18 -2.85 0.90 -2.24 -1.26 -4.70 114.28 105.00 1uk3 n THR 196 Ca 0.12 -0.43 -0.42 0.00 -2.27 0.00 0.00 64.05 61.06 1uk3 n THR 196 Cb 0.46 -0.80 -0.04 0.00 -2.10 0.00 0.00 70.33 67.86 1uk3 n THR 196 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uk3 s ASP 197 N -1.40 7.02 0.26 3.42 3.68 -1.26 -4.68 116.67 123.70 1uk3 s ASP 197 Ca 0.68 1.25 0.11 0.00 2.13 0.00 0.00 52.55 56.72 1uk3 s ASP 197 Cb -0.38 -2.47 -0.05 0.00 -1.45 0.00 0.00 42.92 38.58 1uk3 s ASP 197 CO 0.55 -0.40 -0.12 0.42 0.13 0.00 0.00 175.17 175.75 1uk3 s THR 198 N 2.08 2.91 0.31 1.71 -4.23 -1.26 -5.07 115.64 112.10 1uk3 s THR 198 Ca 0.40 -2.11 -0.28 0.00 -1.18 0.00 0.00 61.69 58.53 1uk3 s THR 198 Cb -0.17 -2.52 -0.09 0.00 1.34 0.00 0.00 72.50 71.06 1uk3 s THR 198 CO 0.14 -0.34 1.03 -0.89 -0.54 0.00 0.00 174.62 174.02 1uk3 s THR 199 N -2.28 3.75 -1.04 3.99 2.01 -0.49 -4.64 115.64 116.94 1uk3 s THR 199 Ca 0.29 1.61 -0.21 0.00 0.31 0.00 0.00 61.69 63.70 1uk3 s THR 199 Cb -0.06 -3.97 0.08 0.00 0.01 0.00 0.00 72.50 68.56 1uk3 s THR 199 CO 0.16 0.27 1.40 -0.63 -0.69 0.00 0.00 174.62 175.14 1uk3 s ILE 200 N -1.35 4.23 0.26 1.82 1.01 -1.26 -1.65 121.20 124.26 1uk3 s ILE 200 Ca 0.48 -1.24 -0.02 0.00 0.00 0.00 0.00 60.65 59.86 1uk3 s ILE 200 Cb -0.27 -5.00 0.25 0.00 0.01 0.00 0.00 42.46 37.46 1uk3 s ILE 200 CO 0.34 -1.82 1.69 0.74 0.00 0.00 0.00 174.94 175.89 1uk3 h THR 201 N 6.25 0.50 -0.97 2.92 2.02 -1.93 -0.79 112.91 120.91 1uk3 h THR 201 Ca 0.23 -0.11 0.08 0.00 0.77 0.00 0.00 66.41 67.39 1uk3 h THR 201 Cb 0.99 0.16 -0.07 0.00 -1.74 0.00 0.00 68.15 67.49 1uk3 h THR 201 CO 1.34 0.06 0.62 0.25 0.37 0.00 0.00 175.52 178.15 1uk3 h LEU 202 N 0.31 0.95 -0.20 2.58 5.85 -1.90 -0.61 115.31 122.29 1uk3 h LEU 202 Ca 0.46 0.02 -0.17 0.00 0.84 0.00 0.00 57.88 59.03 1uk3 h LEU 202 Cb 0.81 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1uk3 h LEU 202 CO -0.52 0.58 -0.54 0.78 -0.34 0.00 0.00 178.44 178.39 1uk3 h ASN 203 N 1.07 0.82 -0.59 1.25 4.21 -1.39 -1.77 115.58 119.18 1uk3 h ASN 203 Ca 0.44 -0.58 0.01 0.00 1.21 0.00 0.00 56.30 57.38 1uk3 h ASN 203 Cb 0.28 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 37.21 1uk3 h ASN 203 CO -0.21 1.25 0.38 0.58 -1.29 0.00 0.00 177.43 178.15 1uk3 h VAL 204 N 0.43 1.14 -1.00 2.81 2.07 -0.84 0.13 116.25 120.99 1uk3 h VAL 204 Ca -0.01 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.26 1uk3 h VAL 204 Cb 1.16 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 1uk3 h VAL 204 CO 0.12 0.14 0.66 -0.07 0.02 0.00 0.00 177.57 178.44 1uk3 h LEU 205 N 0.78 1.12 -1.13 2.57 3.38 -1.12 -0.17 115.31 120.75 1uk3 h LEU 205 Ca 0.22 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1uk3 h LEU 205 Cb -0.08 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.37 1uk3 h LEU 205 CO -0.05 0.79 0.30 0.00 0.09 0.00 0.00 178.44 179.57 1uk3 h ALA 206 N 1.40 1.32 -0.10 1.53 0.00 -0.26 -1.63 119.26 121.53 1uk3 h ALA 206 Ca 0.39 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 55.00 1uk3 h ALA 206 Cb -0.07 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1uk3 h ALA 206 CO -0.10 0.52 -0.64 2.35 0.00 0.00 0.00 179.25 181.38 1uk3 h TRP 207 N 0.91 0.49 -0.16 0.00 7.01 0.81 -2.48 115.95 122.53 1uk3 h TRP 207 Ca 0.22 -0.19 -0.12 0.00 2.11 0.00 0.00 58.89 60.91 1uk3 h TRP 207 Cb 0.11 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.07 1uk3 h TRP 207 CO 0.01 0.91 -0.41 -0.07 -2.79 0.00 0.00 178.44 176.09 1uk3 h LEU 208 N 0.27 0.38 -0.47 0.65 3.38 -0.65 0.55 115.31 119.42 1uk3 h LEU 208 Ca -0.01 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 1uk3 h LEU 208 Cb 1.18 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1uk3 h LEU 208 CO 0.11 0.75 0.13 1.88 0.09 0.00 0.00 178.44 181.40 1uk3 h TYR 209 N 0.30 0.77 -0.61 1.13 0.05 -1.15 -0.88 116.97 116.56 1uk3 h TYR 209 Ca 0.03 -0.09 -0.07 0.00 0.05 0.00 0.00 58.73 58.65 1uk3 h TYR 209 Cb 0.85 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 38.35 1uk3 h TYR 209 CO 0.02 0.69 0.10 0.00 -1.05 0.00 0.00 178.16 177.92 1uk3 h ALA 210 N 0.99 1.01 -0.33 3.88 0.00 -1.15 0.22 119.26 123.89 1uk3 h ALA 210 Ca 0.15 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1uk3 h ALA 210 Cb 0.30 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1uk3 h ALA 210 CO -0.00 0.63 0.18 0.00 0.00 0.00 0.00 179.25 180.06 1uk3 h ALA 211 N 1.16 0.41 -0.46 0.00 0.00 -0.49 -1.98 119.26 117.89 1uk3 h ALA 211 Ca 0.19 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1uk3 h ALA 211 Cb 0.41 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1uk3 h ALA 211 CO 0.01 -0.18 0.28 0.28 0.00 0.00 0.00 179.25 179.64 1uk3 h VAL 212 N 0.38 1.05 -0.45 0.00 2.07 -0.51 -0.60 116.25 118.19 1uk3 h VAL 212 Ca 0.13 -0.19 0.08 0.00 0.82 0.00 0.00 66.70 67.54 1uk3 h VAL 212 Cb 0.01 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1uk3 h VAL 212 CO -0.07 0.10 0.31 0.40 0.02 0.00 0.00 177.57 178.33 1uk3 h ILE 213 N 0.55 0.91 -0.54 4.57 2.04 -0.48 -1.77 117.51 122.79 1uk3 h ILE 213 Ca 0.18 -0.09 -0.21 0.00 1.00 0.00 0.00 64.86 65.74 1uk3 h ILE 213 Cb 0.01 0.61 -0.12 0.00 -0.74 0.00 0.00 36.82 36.58 1uk3 h ILE 213 CO -0.08 0.05 0.26 0.59 0.00 0.00 0.00 178.15 178.97 1uk3 n ASN 214 N -4.47 3.71 0.00 1.72 3.02 -0.54 -4.89 115.26 113.82 1uk3 n ASN 214 Ca 0.07 -2.87 0.00 0.00 -0.03 0.00 0.00 54.58 51.75 1uk3 n ASN 214 Cb 0.33 -0.68 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 -0.19 1.91 3.49 7.41 0.00 -0.66 -5.00 105.19 112.14 1uk3 n GLY 215 Ca 0.31 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 1uk3 n GLY 215 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uk3 s ASP 216 N -3.43 6.28 0.00 1.61 2.15 -0.34 -4.84 116.67 118.09 1uk3 s ASP 216 Ca 0.00 -0.59 0.00 0.00 0.43 0.00 0.00 52.55 52.39 1uk3 s ASP 216 Cb 0.00 -2.32 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 1uk3 s ASP 216 CO 0.00 -0.87 0.48 -2.11 -0.17 0.00 0.00 175.17 172.50 1uk3 n ARG 217 N 6.33 0.00 -0.18 4.34 1.85 -1.26 -2.55 116.66 125.20 1uk3 n ARG 217 Ca -0.03 -0.47 0.22 0.00 -1.00 0.00 0.00 57.85 56.57 1uk3 n ARG 217 Cb 0.47 -0.43 0.62 0.00 -1.05 0.00 0.00 32.46 32.07 1uk3 n ARG 217 CO 0.00 0.00 0.00 0.11 -0.01 0.00 0.00 177.63 177.73 1uk3 h TRP 218 N 0.00 0.26 0.00 2.89 5.08 -1.96 -0.78 115.95 121.44 1uk3 h TRP 218 Ca 0.00 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.98 1uk3 h TRP 218 Cb 1.03 -0.08 0.00 0.00 -3.00 0.00 0.00 29.16 27.12 1uk3 h TRP 218 CO 0.00 0.07 0.00 1.97 -1.28 0.00 0.00 178.44 179.21 1uk3 n PHE 219 N -4.40 0.00 -2.08 0.12 1.16 -1.26 -4.77 117.46 106.23 1uk3 n PHE 219 Ca 0.17 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.35 1uk3 n PHE 219 Cb 0.77 -0.12 -0.03 0.00 -1.61 0.00 0.00 39.48 38.48 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 -2.25 3.39 0.00 5.98 1.43 -0.30 -4.75 118.68 122.18 1uk3 s LEU 220 Ca 0.34 0.68 0.00 0.00 -1.03 0.00 0.00 54.13 54.13 1uk3 s LEU 220 Cb 0.18 -2.96 0.00 0.00 0.03 0.00 0.00 46.19 43.44 1uk3 s LEU 220 CO 0.36 -2.04 0.00 -0.46 0.23 0.00 0.00 176.35 174.43 1uk3 n ASN 221 N 11.43 -1.06 -0.00 2.29 0.23 -1.26 -5.03 115.26 121.85 1uk3 n ASN 221 Ca 0.20 -0.17 -0.00 0.00 -0.53 0.00 0.00 54.58 54.08 1uk3 n ASN 221 Cb 0.50 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.20 1uk3 n ASN 221 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 1uk3 n ARG 222 N -1.23 1.96 -1.20 -3.83 1.85 -1.26 -4.99 116.66 107.95 1uk3 n ARG 222 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.59 1uk3 n ARG 222 Cb 0.00 -1.00 0.20 0.00 -1.05 0.00 0.00 32.46 30.61 1uk3 n ARG 222 CO 0.00 0.00 0.00 1.97 -0.01 0.00 0.00 177.63 179.59 1uk3 n PHE 223 N -2.26 -3.87 -4.23 2.89 -0.00 -1.26 -5.11 117.46 103.63 1uk3 n PHE 223 Ca -0.00 -0.92 -0.12 0.00 -0.00 0.00 0.00 57.45 56.41 1uk3 n PHE 223 Cb 0.51 -0.94 -0.04 0.00 -0.00 0.00 0.00 39.48 39.01 1uk3 n PHE 223 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.76 174.39 1uk3 n THR 224 N -4.14 0.00 -3.74 1.97 5.66 -1.26 -4.87 114.28 107.90 1uk3 n THR 224 Ca 0.14 -1.21 -0.09 0.00 -3.05 0.00 0.00 64.05 59.84 1uk3 n THR 224 Cb 0.50 0.48 -0.03 0.00 -1.55 0.00 0.00 70.33 69.73 1uk3 n THR 224 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1uk3 s THR 225 N -2.41 0.01 0.66 1.09 -1.32 -1.26 -4.95 115.64 107.46 1uk3 s THR 225 Ca 0.13 -0.74 0.03 0.00 -1.21 0.00 0.00 61.69 59.90 1uk3 s THR 225 Cb 0.01 -1.69 0.11 0.00 -1.51 0.00 0.00 72.50 69.42 1uk3 s THR 225 CO 0.09 -0.02 0.91 0.28 -2.21 0.00 0.00 174.62 173.66 1uk3 s THR 226 N -3.88 2.19 0.06 5.08 -1.32 -1.26 -4.89 115.64 111.62 1uk3 s THR 226 Ca 0.09 -0.74 -0.16 0.00 -1.21 0.00 0.00 61.69 59.67 1uk3 s THR 226 Cb -0.03 -2.45 -0.21 0.00 -1.51 0.00 0.00 72.50 68.30 1uk3 s THR 226 CO 0.00 0.00 1.19 0.25 -2.21 0.00 0.00 174.62 173.85 1uk3 h LEU 227 N -0.24 0.77 -0.29 9.08 6.46 -1.98 -2.08 115.31 127.03 1uk3 h LEU 227 Ca -0.35 -0.71 0.05 0.00 -0.12 0.00 0.00 57.88 56.75 1uk3 h LEU 227 Cb 1.28 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 40.93 1uk3 h LEU 227 CO 0.41 1.37 0.02 -1.13 -0.62 0.00 0.00 178.44 178.49 1uk3 h ASN 228 N 0.24 -0.06 -0.22 1.25 -1.24 -1.95 0.37 115.58 113.97 1uk3 h ASN 228 Ca -0.09 0.06 -0.02 0.00 0.71 0.00 0.00 56.30 56.96 1uk3 h ASN 228 Cb 1.45 0.09 -0.01 0.00 0.73 0.00 0.00 38.32 40.59 1uk3 h ASN 228 CO 0.16 0.00 0.05 0.44 -1.29 0.00 0.00 177.43 176.79 1uk3 h ASP 229 N 0.12 0.33 -0.02 1.15 3.45 -1.95 -1.31 116.42 118.19 1uk3 h ASP 229 Ca 0.14 -0.24 0.02 0.00 0.43 0.00 0.00 57.03 57.37 1uk3 h ASP 229 Cb 0.16 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 38.83 1uk3 h ASP 229 CO -0.21 0.49 -0.08 0.15 -1.57 0.00 0.00 179.24 178.02 1uk3 h PHE 230 N 0.16 -0.20 -0.95 4.55 3.57 -1.07 -2.47 116.94 120.54 1uk3 h PHE 230 Ca 0.07 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.72 1uk3 h PHE 230 Cb 0.29 0.09 -0.08 0.00 2.79 0.00 0.00 35.95 39.04 1uk3 h PHE 230 CO 0.01 -0.12 0.60 -0.91 -2.23 0.00 0.00 178.31 175.66 1uk3 h ASN 231 N -0.13 0.75 -0.57 0.41 2.35 -0.09 -0.44 115.58 117.86 1uk3 h ASN 231 Ca 0.04 0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.75 1uk3 h ASN 231 Cb 0.18 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1uk3 h ASN 231 CO -0.09 0.36 -0.00 -0.07 -1.65 0.00 0.00 177.43 175.98 1uk3 h LEU 232 N 0.79 0.99 -0.51 1.61 3.38 -0.79 -1.70 115.31 119.07 1uk3 h LEU 232 Ca 0.49 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 1uk3 h LEU 232 Cb 0.70 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1uk3 h LEU 232 CO -0.25 1.06 -0.04 0.58 0.09 0.00 0.00 178.44 179.88 1uk3 h VAL 233 N 0.90 1.27 -0.16 1.22 2.07 -0.92 -2.58 116.25 118.04 1uk3 h VAL 233 Ca 0.16 -1.15 0.03 0.00 0.82 0.00 0.00 66.70 66.56 1uk3 h VAL 233 Cb 0.55 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1uk3 h VAL 233 CO 0.03 0.40 -0.01 0.00 0.02 0.00 0.00 177.57 178.02 1uk3 h ALA 234 N 0.93 0.13 -0.95 1.67 0.00 -0.87 -1.51 119.26 118.65 1uk3 h ALA 234 Ca 0.14 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.20 1uk3 h ALA 234 Cb 0.57 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 1uk3 h ALA 234 CO 0.03 -0.45 0.61 0.52 0.00 0.00 0.00 179.25 179.96 1uk3 h MET 235 N 0.04 0.93 -0.62 0.00 2.07 -1.25 0.88 114.93 116.99 1uk3 h MET 235 Ca 0.07 -0.06 0.06 0.00 -2.07 0.00 0.00 59.70 57.71 1uk3 h MET 235 Cb 0.09 -0.21 -0.06 0.00 -1.87 0.00 0.00 31.60 29.56 1uk3 h MET 235 CO -0.13 0.62 0.31 -0.22 1.07 0.00 0.00 176.91 178.56 1uk3 h LYS 236 N 0.96 0.56 -0.75 1.72 1.63 -0.88 -2.35 116.57 117.46 1uk3 h LYS 236 Ca 0.45 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 60.18 1uk3 h LYS 236 Cb 0.41 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.90 1uk3 h LYS 236 CO -0.21 0.37 0.05 0.66 -3.45 0.00 0.00 179.45 176.87 1uk3 n TYR 237 N -4.86 1.49 -2.18 1.91 4.02 0.17 -4.91 117.16 112.80 1uk3 n TYR 237 Ca 0.08 -0.59 -0.16 0.00 -0.01 0.00 0.00 57.90 57.22 1uk3 n TYR 237 Cb 0.19 -0.42 -0.02 0.00 -0.02 0.00 0.00 39.34 39.08 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 0.32 -4.74 -4.84 7.72 5.15 -0.79 -4.93 115.26 113.14 1uk3 n ASN 238 Ca 0.21 0.04 -0.37 0.00 -0.60 0.00 0.00 54.58 53.86 1uk3 n ASN 238 Cb 0.94 -3.83 -0.06 0.00 -0.53 0.00 0.00 39.78 36.30 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 -2.76 3.64 0.56 1.20 1.51 -0.42 -1.39 117.35 119.69 1uk3 s TYR 239 Ca 0.00 0.76 -0.21 0.00 -1.01 0.00 0.00 57.07 56.61 1uk3 s TYR 239 Cb 0.00 -2.16 -0.04 0.00 -0.11 0.00 0.00 41.96 39.65 1uk3 s TYR 239 CO 0.00 0.63 1.28 -1.21 -1.11 0.00 0.00 175.55 175.14 1uk3 s GLU 240 N -0.86 3.09 0.75 -0.62 0.41 -0.66 -3.68 118.70 117.14 1uk3 s GLU 240 Ca 0.19 2.03 -0.12 0.00 -0.41 0.00 0.00 54.97 56.66 1uk3 s GLU 240 Cb -0.14 -2.12 0.05 0.00 -1.78 0.00 0.00 34.13 30.13 1uk3 s GLU 240 CO 0.08 -1.17 1.11 -2.14 -0.49 0.00 0.00 175.26 172.66 1uk3 s PRO 241 N -3.06 2.27 -0.29 0.39 0.02 -1.26 -4.53 135.00 128.53 1uk3 s PRO 241 Ca 0.74 1.30 -0.11 0.00 0.02 0.00 0.00 61.00 62.95 1uk3 s PRO 241 Cb -0.36 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.24 1uk3 s PRO 241 CO 0.41 -1.65 0.19 -1.17 -0.33 0.00 0.00 177.00 174.44 1uk3 s LEU 242 N -5.67 4.10 0.39 -5.54 2.96 -1.26 -4.96 118.68 108.71 1uk3 s LEU 242 Ca 0.64 -0.18 -0.02 0.00 -0.22 0.00 0.00 54.13 54.35 1uk3 s LEU 242 Cb -0.19 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 1uk3 s LEU 242 CO 0.52 -0.11 0.64 0.42 -1.32 0.00 0.00 176.35 176.50 1uk3 s THR 243 N 1.72 5.02 0.25 3.68 -4.23 -1.26 -4.96 115.64 115.86 1uk3 s THR 243 Ca 0.07 -0.14 -0.02 0.00 -1.18 0.00 0.00 61.69 60.41 1uk3 s THR 243 Cb -0.16 -3.85 0.23 0.00 1.34 0.00 0.00 72.50 70.06 1uk3 s THR 243 CO 0.10 -0.64 1.77 -0.61 -0.54 0.00 0.00 174.62 174.70 1uk3 h GLN 244 N 0.66 0.62 -0.76 3.99 5.75 -1.99 0.26 115.11 123.65 1uk3 h GLN 244 Ca -0.48 -0.04 0.11 0.00 -0.15 0.00 0.00 58.65 58.09 1uk3 h GLN 244 Cb 1.21 -0.14 -0.12 0.00 1.07 0.00 0.00 27.48 29.49 1uk3 h GLN 244 CO 0.62 0.41 -0.44 0.22 -2.65 0.00 0.00 178.83 176.99 1uk3 h ASP 245 N 0.64 -1.57 -0.15 -0.69 1.82 -2.00 0.72 116.42 115.19 1uk3 h ASP 245 Ca 0.44 0.28 -0.06 0.00 -0.39 0.00 0.00 57.03 57.30 1uk3 h ASP 245 Cb 0.57 0.74 -0.02 0.00 0.68 0.00 0.00 39.33 41.30 1uk3 h ASP 245 CO -0.33 -0.30 -0.06 0.45 -1.61 0.00 0.00 179.24 177.38 1uk3 h HIS 246 N -0.12 0.47 -0.57 0.28 3.86 -0.88 -2.73 115.15 115.45 1uk3 h HIS 246 Ca 0.23 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.35 1uk3 h HIS 246 Cb 0.55 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.86 1uk3 h HIS 246 CO -0.80 0.51 0.25 0.28 0.86 0.00 0.00 177.93 179.03 1uk3 h VAL 247 N 0.43 1.22 -0.78 2.45 2.07 -0.11 -2.65 116.25 118.87 1uk3 h VAL 247 Ca 0.09 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1uk3 h VAL 247 Cb 0.38 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1uk3 h VAL 247 CO 0.02 0.26 0.41 0.44 0.02 0.00 0.00 177.57 178.71 1uk3 h ASP 248 N 0.78 0.98 0.19 0.57 3.45 -1.00 -2.35 116.42 119.04 1uk3 h ASP 248 Ca 0.19 -0.09 -0.03 0.00 0.43 0.00 0.00 57.03 57.53 1uk3 h ASP 248 Cb 0.17 -0.25 -0.00 0.00 -0.56 0.00 0.00 39.33 38.68 1uk3 h ASP 248 CO -0.02 0.81 -0.14 0.40 -1.57 0.00 0.00 179.24 178.72 1uk3 h ILE 249 N 1.10 0.97 0.00 0.35 2.04 -1.18 -2.31 117.51 118.48 1uk3 h ILE 249 Ca 0.27 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1uk3 h ILE 249 Cb 0.06 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1uk3 h ILE 249 CO -0.04 0.14 0.00 -0.07 0.00 0.00 0.00 178.15 178.18 1uk3 h LEU 250 N 0.00 0.00 -0.89 1.44 3.38 -1.14 -3.39 115.31 114.72 1uk3 h LEU 250 Ca -0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 1uk3 h LEU 250 Cb 0.27 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.88 1uk3 h LEU 250 CO 0.02 0.00 -0.40 1.23 0.09 0.00 0.00 178.44 179.38 1uk3 h GLY 251 N 4.37 -0.08 0.23 0.83 0.00 -1.33 0.13 103.07 107.23 1uk3 h GLY 251 Ca 0.00 0.53 0.16 0.00 0.00 0.00 0.00 47.33 48.03 1uk3 h GLY 251 CO 0.00 -0.18 0.57 -2.55 0.00 0.00 0.00 176.54 174.38 1uk3 h PRO 252 N -0.05 0.76 -0.19 4.80 0.11 -1.80 0.61 132.00 136.24 1uk3 h PRO 252 Ca 0.30 -0.05 -0.21 0.00 0.11 0.00 0.00 66.00 66.15 1uk3 h PRO 252 Cb 0.57 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 31.51 1uk3 h PRO 252 CO -0.90 0.50 -0.70 -0.07 -0.21 0.00 0.00 178.00 176.62 1uk3 h LEU 253 N 0.78 0.92 -1.09 2.35 3.38 -1.34 -1.78 115.31 118.52 1uk3 h LEU 253 Ca 0.53 -0.56 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1uk3 h LEU 253 Cb 0.74 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1uk3 h LEU 253 CO -0.35 1.36 0.60 -1.28 0.09 0.00 0.00 178.44 178.86 1uk3 h SER 254 N 0.56 1.06 -0.48 -0.43 0.87 0.71 -2.58 113.55 113.26 1uk3 h SER 254 Ca -0.03 -0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.39 1uk3 h SER 254 Cb 1.31 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.99 1uk3 h SER 254 CO 0.14 0.77 -0.11 0.00 -0.53 0.00 0.00 176.83 177.10 1uk3 h ALA 255 N 1.42 0.83 -0.03 6.23 0.00 0.47 0.50 119.26 128.68 1uk3 h ALA 255 Ca 0.34 -0.35 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1uk3 h ALA 255 Cb -0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1uk3 h ALA 255 CO -0.07 0.66 -0.80 0.37 0.00 0.00 0.00 179.25 179.40 1uk3 h GLN 256 N 0.85 0.31 0.00 0.00 4.15 -1.13 -3.33 115.11 115.96 1uk3 h GLN 256 Ca 0.13 -0.29 -0.13 0.00 0.77 0.00 0.00 58.65 59.14 1uk3 h GLN 256 Cb 0.66 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.40 1uk3 h GLN 256 CO 0.05 0.96 -1.67 0.25 -1.93 0.00 0.00 178.83 176.49 1uk3 n THR 257 N -3.77 0.80 -0.78 2.39 -2.24 -0.99 -4.99 114.28 104.71 1uk3 n THR 257 Ca -0.04 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1uk3 n THR 257 Cb 0.75 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 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 1.38 0.61 3.37 3.38 0.00 0.16 -5.02 105.19 109.06 1uk3 n GLY 258 Ca -0.10 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.00 4.53 0.65 -0.61 1.01 -1.15 -5.03 121.20 118.59 1uk3 s ILE 259 Ca 0.00 -0.86 -0.17 0.00 0.00 0.00 0.00 60.65 59.62 1uk3 s ILE 259 Cb 0.00 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 1uk3 s ILE 259 CO 0.00 -0.22 0.99 0.00 0.00 0.00 0.00 174.94 175.72 1uk3 n ALA 260 N 4.98 0.13 -0.23 9.38 0.00 -1.26 -4.46 120.51 129.06 1uk3 n ALA 260 Ca -0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 53.44 53.23 1uk3 n ALA 260 Cb 0.46 -2.13 0.08 0.00 0.00 0.00 0.00 19.45 17.86 1uk3 n ALA 260 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1uk3 h VAL 261 N 0.23 1.02 0.00 0.00 2.07 -1.94 -1.81 116.25 115.81 1uk3 h VAL 261 Ca -0.48 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 1uk3 h VAL 261 Cb 1.35 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1uk3 h VAL 261 CO 0.50 0.13 -0.01 -0.07 0.02 0.00 0.00 177.57 178.14 1uk3 h LEU 262 N 0.73 0.00 0.11 2.57 3.38 -1.90 -0.98 115.31 119.23 1uk3 h LEU 262 Ca 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 1uk3 h LEU 262 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1uk3 h LEU 262 CO -0.15 0.01 -0.05 -0.78 0.09 0.00 0.00 178.44 177.56 1uk3 h ASP 263 N 0.00 -0.13 -0.44 -0.43 3.58 -1.67 -1.93 116.42 115.40 1uk3 h ASP 263 Ca -0.00 -0.44 0.02 0.00 0.42 0.00 0.00 57.03 57.04 1uk3 h ASP 263 Cb 0.24 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 1uk3 h ASP 263 CO 0.00 0.44 0.29 -0.03 -2.88 0.00 0.00 179.24 177.06 1uk3 h MET 264 N -0.76 0.49 -0.04 0.28 4.05 -1.14 0.22 114.93 118.02 1uk3 h MET 264 Ca -0.02 -0.03 -0.09 0.00 -0.28 0.00 0.00 59.70 59.28 1uk3 h MET 264 Cb 0.55 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.23 1uk3 h MET 264 CO 0.03 0.33 -0.40 0.00 0.23 0.00 0.00 176.91 177.09 1uk3 h ALA 266 N 1.52 0.40 -0.45 0.00 0.00 0.17 -0.41 119.26 120.49 1uk3 h ALA 266 Ca 0.01 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.59 1uk3 h ALA 266 Cb 0.75 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1uk3 h ALA 266 CO 0.06 0.32 0.28 0.00 0.00 0.00 0.00 179.25 179.90 1uk3 h ALA 267 N 0.73 0.57 -0.19 0.00 0.00 -0.53 -1.74 119.26 118.09 1uk3 h ALA 267 Ca 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1uk3 h ALA 267 Cb 0.71 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1uk3 h ALA 267 CO 0.05 -0.02 0.09 1.25 0.00 0.00 0.00 179.25 180.62 1uk3 h LEU 268 N 0.56 0.25 -0.43 0.00 6.46 -1.08 -1.27 115.31 119.81 1uk3 h LEU 268 Ca 0.17 -0.13 0.09 0.00 -0.12 0.00 0.00 57.88 57.89 1uk3 h LEU 268 Cb -0.02 -0.06 -0.09 0.00 -0.73 0.00 0.00 40.66 39.75 1uk3 h LEU 268 CO -0.06 0.31 -0.20 0.50 -0.62 0.00 0.00 178.44 178.37 1uk3 h LYS 269 N 0.17 -0.12 -0.24 1.25 3.64 -0.86 0.45 116.57 120.86 1uk3 h LYS 269 Ca 0.07 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1uk3 h LYS 269 Cb 0.13 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1uk3 h LYS 269 CO -0.01 -0.08 0.12 1.49 -2.27 0.00 0.00 179.45 178.70 1uk3 h GLU 270 N -0.12 0.35 -0.87 1.90 4.81 -1.13 -1.57 114.58 117.95 1uk3 h GLU 270 Ca 0.21 -0.05 0.16 0.00 -0.13 0.00 0.00 59.36 59.54 1uk3 h GLU 270 Cb 0.44 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.69 1uk3 h GLU 270 CO -0.50 0.35 0.57 -0.07 -0.73 0.00 0.00 179.01 178.63 1uk3 h LEU 271 N 0.26 0.57 -0.04 1.64 3.38 -0.43 0.72 115.31 121.41 1uk3 h LEU 271 Ca 0.08 0.04 -0.21 0.00 0.09 0.00 0.00 57.88 57.88 1uk3 h LEU 271 Cb 0.12 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 40.82 1uk3 h LEU 271 CO -0.01 0.28 -0.81 -0.07 0.09 0.00 0.00 178.44 177.91 1uk3 h LEU 272 N 0.59 0.78 -0.63 1.67 3.38 -0.58 0.86 115.31 121.37 1uk3 h LEU 272 Ca 0.44 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1uk3 h LEU 272 Cb 0.83 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1uk3 h LEU 272 CO -0.19 1.39 0.00 1.56 0.09 0.00 0.00 178.44 181.28 1uk3 h GLN 273 N 0.24 0.00 0.00 1.13 4.20 -0.51 -3.31 115.11 116.86 1uk3 h GLN 273 Ca -0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1uk3 h GLN 273 Cb 1.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.26 1uk3 h GLN 273 CO 0.16 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.41 1uk3 n ASN 274 N -2.34 0.19 -0.45 1.46 3.02 0.17 -5.08 115.26 112.23 1uk3 n ASN 274 Ca 0.03 -0.52 0.06 0.00 -0.03 0.00 0.00 54.58 54.12 1uk3 n ASN 274 Cb 0.28 0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 39.84 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 0.41 -1.77 0.63 7.41 0.00 0.30 -4.40 105.19 107.77 1uk3 n GLY 275 Ca 0.00 -1.40 0.12 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.47 1.84 -3.98 1.61 2.81 -1.26 -4.78 117.12 110.89 1uk3 n MET 276 Ca -0.00 -1.25 -0.31 0.00 -1.81 0.00 0.00 57.70 54.33 1uk3 n MET 276 Cb 0.21 -1.44 0.01 0.00 -0.71 0.00 0.00 33.22 31.29 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 0.49 -3.77 0.00 7.83 5.03 -1.26 -0.71 115.26 122.86 1uk3 n ASN 277 Ca 0.17 -0.86 0.00 0.00 0.87 0.00 0.00 54.58 54.76 1uk3 n ASN 277 Cb 0.39 -3.55 0.00 0.00 -1.02 0.00 0.00 39.78 35.60 1uk3 n ASN 277 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1uk3 n GLY 278 N -1.63 2.05 3.34 7.41 0.00 -1.26 -4.97 105.19 110.13 1uk3 n GLY 278 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1uk3 n GLY 278 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uk3 n ARG 279 N -0.54 -1.32 -4.32 1.61 1.74 0.11 -4.97 116.66 108.98 1uk3 n ARG 279 Ca 0.00 -0.36 -0.20 0.00 -0.77 0.00 0.00 57.85 56.52 1uk3 n ARG 279 Cb 0.00 -1.81 -0.11 0.00 -1.02 0.00 0.00 32.46 29.52 1uk3 n ARG 279 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1uk3 s THR 280 N -2.31 1.69 -0.14 0.55 -4.23 -1.26 -4.72 115.64 105.21 1uk3 s THR 280 Ca 0.58 -1.97 -0.00 0.00 -1.18 0.00 0.00 61.69 59.12 1uk3 s THR 280 Cb -0.16 -1.84 0.03 0.00 1.34 0.00 0.00 72.50 71.87 1uk3 s THR 280 CO 0.66 -0.43 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.61 1uk3 s ILE 281 N -2.36 1.16 -1.31 2.99 1.01 -0.57 -4.65 121.20 117.47 1uk3 s ILE 281 Ca 0.16 -0.52 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 1uk3 s ILE 281 Cb -0.04 -1.24 0.02 0.00 0.01 0.00 0.00 42.46 41.22 1uk3 s ILE 281 CO 0.06 0.26 0.28 0.18 0.00 0.00 0.00 174.94 175.73 1uk3 n LEU 282 N 4.88 -1.69 0.00 2.97 4.77 -1.26 -2.20 117.00 124.48 1uk3 n LEU 282 Ca -0.13 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1uk3 n LEU 282 Cb 0.49 -2.40 0.00 0.00 -2.33 0.00 0.00 43.42 39.18 1uk3 n LEU 282 CO 0.17 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 1uk3 n GLY 283 N -1.10 2.46 3.68 -0.72 0.00 -1.26 -4.02 105.19 104.24 1uk3 n GLY 283 Ca -0.11 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 1uk3 n GLY 283 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uk3 n SER 284 N 2.53 1.30 -0.96 1.61 2.88 -0.93 -4.79 113.62 115.26 1uk3 n SER 284 Ca 0.00 0.73 0.12 0.00 -1.33 0.00 0.00 58.87 58.39 1uk3 n SER 284 Cb 0.00 -1.49 0.14 0.00 -0.75 0.00 0.00 64.21 62.10 1uk3 n SER 284 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1uk3 n THR 285 N -2.39 0.06 -4.20 2.46 -2.24 -1.26 -1.52 114.28 105.19 1uk3 n THR 285 Ca 0.14 -0.52 -0.15 0.00 -2.27 0.00 0.00 64.05 61.26 1uk3 n THR 285 Cb 0.49 1.39 -0.11 0.00 -2.10 0.00 0.00 70.33 70.00 1uk3 n THR 285 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1uk3 s ILE 286 N -1.94 1.03 0.32 2.28 1.10 -1.26 -4.87 121.20 117.86 1uk3 s ILE 286 Ca 0.30 -1.75 -0.26 0.00 -0.51 0.00 0.00 60.65 58.42 1uk3 s ILE 286 Cb 0.20 -1.50 -0.10 0.00 0.15 0.00 0.00 42.46 41.22 1uk3 s ILE 286 CO 0.30 -0.59 0.96 -0.76 -2.11 0.00 0.00 174.94 172.74 1uk3 s LEU 287 N -2.62 4.35 -0.14 8.50 1.43 -1.26 -4.92 118.68 124.02 1uk3 s LEU 287 Ca 0.09 1.89 -0.08 0.00 -1.03 0.00 0.00 54.13 54.99 1uk3 s LEU 287 Cb -0.02 -3.98 -0.04 0.00 0.03 0.00 0.00 46.19 42.18 1uk3 s LEU 287 CO 0.00 -0.10 0.15 -0.70 0.23 0.00 0.00 176.35 175.94 1uk3 s GLU 288 N -2.00 3.68 -0.09 1.70 -6.30 -1.26 -5.01 118.70 109.41 1uk3 s GLU 288 Ca 0.50 -0.13 0.14 0.00 -2.50 0.00 0.00 54.97 52.98 1uk3 s GLU 288 Cb -0.20 -3.26 0.21 0.00 0.00 0.00 0.00 34.13 30.88 1uk3 s GLU 288 CO 0.26 0.63 1.10 -0.40 0.02 0.00 0.00 175.26 176.87 1uk3 n ASP 289 N 2.43 1.76 -2.11 -1.70 3.85 -1.26 -3.70 116.55 115.81 1uk3 n ASP 289 Ca -0.18 -2.77 -0.25 0.00 -0.71 0.00 0.00 54.79 50.88 1uk3 n ASP 289 Cb 0.54 -0.35 0.02 0.00 -1.35 0.00 0.00 41.12 39.98 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 -1.05 3.52 -3.64 0.11 1.02 -1.26 -4.65 120.64 114.69 1uk3 n GLU 290 Ca 0.11 -4.14 -0.27 0.00 -0.02 0.00 0.00 57.16 52.85 1uk3 n GLU 290 Cb 0.64 -2.28 -0.17 0.00 -0.02 0.00 0.00 31.44 29.61 1uk3 n GLU 290 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1uk3 s PHE 291 N -3.62 0.42 0.71 -0.32 5.36 -1.26 -4.78 117.98 114.50 1uk3 s PHE 291 Ca 0.52 -0.48 -0.06 0.00 -0.96 0.00 0.00 56.93 55.95 1uk3 s PHE 291 Cb 0.42 -0.79 0.07 0.00 -0.34 0.00 0.00 43.02 42.38 1uk3 s PHE 291 CO 0.00 -0.55 1.01 0.95 -1.46 0.00 0.00 175.22 175.18 1uk3 s THR 292 N 2.06 2.28 0.18 0.12 -4.23 -1.26 -4.49 115.64 110.30 1uk3 s THR 292 Ca 0.01 -0.31 -0.13 0.00 -1.18 0.00 0.00 61.69 60.08 1uk3 s THR 292 Cb -0.16 -2.96 0.08 0.00 1.34 0.00 0.00 72.50 70.79 1uk3 s THR 292 CO -0.10 0.00 1.79 -0.65 -0.54 0.00 0.00 174.62 175.12 1uk3 h PRO 293 N -0.61 0.50 -0.40 3.99 0.11 -1.91 -2.03 132.00 131.65 1uk3 h PRO 293 Ca -0.43 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 1uk3 h PRO 293 Cb 1.30 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1uk3 h PRO 293 CO 0.56 0.33 -0.10 0.35 -0.21 0.00 0.00 178.00 178.93 1uk3 h PHE 294 N 0.51 0.76 -0.82 0.65 3.57 -1.94 -2.02 116.94 117.65 1uk3 h PHE 294 Ca 0.22 -0.13 0.06 0.00 3.53 0.00 0.00 57.97 61.65 1uk3 h PHE 294 Cb 0.13 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.62 1uk3 h PHE 294 CO -0.10 0.77 0.54 -0.44 -2.23 0.00 0.00 178.31 176.85 1uk3 h ASP 295 N 0.64 0.82 0.12 0.41 3.32 -1.78 0.75 116.42 120.70 1uk3 h ASP 295 Ca 0.11 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.05 1uk3 h ASP 295 Cb 0.55 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 1uk3 h ASP 295 CO 0.03 0.54 -0.38 0.58 -1.72 0.00 0.00 179.24 178.29 1uk3 h VAL 296 N 0.93 1.30 0.01 -1.35 2.07 -0.70 -1.82 116.25 116.69 1uk3 h VAL 296 Ca 0.34 -1.48 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 1uk3 h VAL 296 Cb 0.17 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1uk3 h VAL 296 CO -0.12 0.45 -0.01 0.58 0.02 0.00 0.00 177.57 178.50 1uk3 h VAL 297 N 0.29 1.51 0.54 2.57 2.07 -0.78 -1.22 116.25 121.23 1uk3 h VAL 297 Ca 0.03 -1.63 -0.02 0.00 0.82 0.00 0.00 66.70 65.91 1uk3 h VAL 297 Cb 0.81 2.60 -0.02 0.00 -1.52 0.00 0.00 31.29 33.16 1uk3 h VAL 297 CO 0.06 0.42 -0.47 -0.09 0.02 0.00 0.00 177.57 177.51 1uk3 h ARG 298 N -0.72 -0.96 -0.34 1.57 2.43 -0.92 -2.91 114.38 112.52 1uk3 h ARG 298 Ca -0.00 0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 1uk3 h ARG 298 Cb 0.69 0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 1uk3 h ARG 298 CO 0.00 -0.64 -0.13 1.96 -1.51 0.00 0.00 179.97 179.65 1uk3 h GLN 299 N -1.00 0.70 -0.28 0.20 4.20 -1.47 -3.09 115.11 114.37 1uk3 h GLN 299 Ca -0.06 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.36 1uk3 h GLN 299 Cb 0.85 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.61 1uk3 h GLN 299 CO -0.02 0.88 0.00 0.00 -0.67 0.00 0.00 178.83 179.02 1uk3 n SER 301 N -0.31 -0.18 -0.10 0.00 7.64 -1.10 -5.00 113.62 114.58 1uk3 n SER 301 Ca 0.00 -2.48 0.22 0.00 1.01 0.00 0.00 58.87 57.62 1uk3 n SER 301 Cb 0.07 -0.58 0.33 0.00 -1.01 0.00 0.00 64.21 63.03 1uk3 n SER 301 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uk3 n GLY 302 N 2.48 -0.69 0.60 0.23 0.00 -1.25 -4.86 105.19 101.70 1uk3 n GLY 302 Ca 0.28 0.28 0.14 0.00 0.00 0.00 0.00 46.02 46.71 1uk3 n GLY 302 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70