#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uk4 s ARG 4 N 0.00 1.62 -0.60 -4.13 0.52 -1.26 -4.98 118.95 110.13 1uk4 s ARG 4 Ca 0.00 1.35 -0.23 0.00 -0.52 0.00 0.00 55.73 56.34 1uk4 s ARG 4 Cb 0.00 -1.81 0.06 0.00 0.52 0.00 0.00 34.95 33.72 1uk4 s ARG 4 CO 0.00 -2.15 0.91 0.15 0.02 0.00 0.00 175.30 174.23 1uk4 s LYS 5 N -4.78 3.20 0.09 3.54 1.02 -1.26 -5.03 119.74 116.52 1uk4 s LYS 5 Ca 0.64 -0.62 -0.18 0.00 0.02 0.00 0.00 55.97 55.83 1uk4 s LYS 5 Cb -0.20 -4.14 -0.07 0.00 -0.52 0.00 0.00 37.83 32.90 1uk4 s LYS 5 CO 0.57 -1.61 0.56 -1.64 -0.92 0.00 0.00 175.35 172.31 1uk4 s MET 6 N 3.81 4.12 0.14 1.68 -1.94 -1.26 -4.72 119.30 121.14 1uk4 s MET 6 Ca 0.24 0.65 -0.01 0.00 -1.71 0.00 0.00 55.69 54.87 1uk4 s MET 6 Cb -0.16 -3.15 -0.04 0.00 2.01 0.00 0.00 34.83 33.49 1uk4 s MET 6 CO 0.14 0.60 0.32 0.00 -0.01 0.00 0.00 175.02 176.07 1uk4 s ALA 7 N -1.21 3.89 0.61 3.03 0.00 -1.26 -4.80 121.76 122.02 1uk4 s ALA 7 Ca 0.31 -0.79 -0.17 0.00 0.00 0.00 0.00 51.96 51.31 1uk4 s ALA 7 Cb -0.18 -1.96 -0.02 0.00 0.00 0.00 0.00 23.12 20.96 1uk4 s ALA 7 CO 0.19 0.62 1.14 -0.06 0.00 0.00 0.00 175.76 177.65 1uk4 s PHE 8 N -1.70 2.55 0.35 0.00 0.08 -1.26 -4.93 117.98 113.07 1uk4 s PHE 8 Ca 0.38 1.55 -0.28 0.00 0.12 0.00 0.00 56.93 58.69 1uk4 s PHE 8 Cb -0.12 -3.30 -0.12 0.00 -0.57 0.00 0.00 43.02 38.92 1uk4 s PHE 8 CO 0.27 -1.82 1.37 -2.30 -0.10 0.00 0.00 175.22 172.65 1uk4 n PRO 9 N -1.88 2.32 -0.17 0.24 -0.02 -1.26 -4.89 135.00 129.34 1uk4 n PRO 9 Ca 0.12 0.82 0.12 0.00 -2.02 0.00 0.00 63.50 62.53 1uk4 n PRO 9 Cb 0.51 -2.46 0.22 0.00 -0.02 0.00 0.00 33.50 31.75 1uk4 n PRO 9 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1uk4 n SER 10 N 0.78 3.33 -0.05 2.55 3.41 -1.26 -4.67 113.62 117.71 1uk4 n SER 10 Ca 0.04 -1.98 -0.09 0.00 -0.26 0.00 0.00 58.87 56.58 1uk4 n SER 10 Cb 0.37 -0.22 -0.02 0.00 -0.26 0.00 0.00 64.21 64.07 1uk4 n SER 10 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1uk4 h GLY 11 N 4.59 -0.27 1.57 5.00 0.00 -2.00 -1.14 103.07 110.81 1uk4 h GLY 11 Ca 0.00 0.36 0.05 0.00 0.00 0.00 0.00 47.33 47.74 1uk4 h GLY 11 CO 0.00 -0.21 0.16 0.50 0.00 0.00 0.00 176.54 177.00 1uk4 h LYS 12 N -0.30 0.00 0.03 4.80 1.57 -1.96 -1.91 116.57 118.80 1uk4 h LYS 12 Ca 0.13 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.61 1uk4 h LYS 12 Cb 0.51 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 1uk4 h LYS 12 CO -0.41 0.00 -1.69 0.28 -0.57 0.00 0.00 179.45 177.07 1uk4 h VAL 13 N 0.00 0.90 -0.65 0.50 2.07 -1.79 -3.35 116.25 113.93 1uk4 h VAL 13 Ca 0.09 -2.71 -0.02 0.00 0.82 0.00 0.00 66.70 64.88 1uk4 h VAL 13 Cb 0.42 2.49 -0.03 0.00 -1.52 0.00 0.00 31.29 32.64 1uk4 h VAL 13 CO -0.00 0.61 0.32 -0.33 0.02 0.00 0.00 177.57 178.19 1uk4 h GLU 14 N 0.02 0.92 0.00 1.57 5.08 -0.42 -1.07 114.58 120.67 1uk4 h GLU 14 Ca -0.28 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1uk4 h GLU 14 Cb 2.00 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 31.07 1uk4 h GLU 14 CO 0.09 0.70 0.00 0.41 -1.00 0.00 0.00 179.01 179.21 1uk4 n GLY 15 N -1.15 -0.60 0.00 -3.84 0.00 -1.02 -2.51 105.19 96.06 1uk4 n GLY 15 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1uk4 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uk4 s MET 17 N -0.24 4.34 0.20 0.00 -1.94 -1.04 -0.36 119.30 120.26 1uk4 s MET 17 Ca 0.00 0.45 0.03 0.00 -1.71 0.00 0.00 55.69 54.46 1uk4 s MET 17 Cb 0.00 -3.44 -0.05 0.00 2.01 0.00 0.00 34.83 33.35 1uk4 s MET 17 CO 0.00 0.16 -0.01 0.14 -0.01 0.00 0.00 175.02 175.30 1uk4 s VAL 18 N 0.62 0.89 -0.21 -6.03 -7.23 0.53 -4.83 120.40 104.14 1uk4 s VAL 18 Ca 0.26 -2.01 -0.09 0.00 -1.81 0.00 0.00 61.98 58.32 1uk4 s VAL 18 Cb -0.15 -2.23 -0.05 0.00 0.56 0.00 0.00 36.38 34.51 1uk4 s VAL 18 CO 0.10 -0.40 0.12 -1.58 -0.31 0.00 0.00 175.10 173.03 1uk4 s GLN 19 N -3.88 4.10 -0.15 4.82 0.74 0.11 0.87 119.66 126.26 1uk4 s GLN 19 Ca 0.26 -0.27 -0.00 0.00 0.05 0.00 0.00 55.36 55.40 1uk4 s GLN 19 Cb 0.06 -3.40 -0.01 0.00 1.10 0.00 0.00 33.01 30.76 1uk4 s GLN 19 CO 0.06 0.23 -0.14 0.08 -0.55 0.00 0.00 175.29 174.97 1uk4 s VAL 20 N 0.55 2.84 -0.11 1.34 1.01 0.11 0.17 120.40 126.31 1uk4 s VAL 20 Ca 0.07 -0.71 -0.00 0.00 0.00 0.00 0.00 61.98 61.33 1uk4 s VAL 20 Cb -0.12 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 34.08 1uk4 s VAL 20 CO 0.00 0.51 -0.08 -0.89 0.00 0.00 0.00 175.10 174.64 1uk4 s THR 21 N 0.75 1.07 -0.26 3.92 2.01 -0.73 -1.07 115.64 121.32 1uk4 s THR 21 Ca -0.06 -0.32 0.01 0.00 0.31 0.00 0.00 61.69 61.63 1uk4 s THR 21 Cb -0.15 -1.07 0.07 0.00 0.01 0.00 0.00 72.50 71.35 1uk4 s THR 21 CO 0.01 0.37 -0.02 0.00 -0.69 0.00 0.00 174.62 174.29 1uk4 n GLY 23 N 4.62 2.41 1.06 0.00 0.00 -1.26 -2.29 105.19 109.74 1uk4 n GLY 23 Ca -0.09 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.69 1uk4 n GLY 23 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1uk4 n THR 24 N 0.00 0.46 -3.92 2.61 5.66 -1.26 -4.93 114.28 112.89 1uk4 n THR 24 Ca 0.00 -0.73 -0.35 0.00 -3.05 0.00 0.00 64.05 59.92 1uk4 n THR 24 Cb 0.00 1.02 -0.08 0.00 -1.55 0.00 0.00 70.33 69.72 1uk4 n THR 24 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1uk4 s THR 25 N -1.46 5.13 0.00 1.09 2.01 -0.97 -5.10 115.64 116.35 1uk4 s THR 25 Ca 0.35 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.45 1uk4 s THR 25 Cb 0.21 -3.29 -0.01 0.00 0.01 0.00 0.00 72.50 69.43 1uk4 s THR 25 CO 0.29 0.51 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.78 1uk4 s THR 26 N -0.16 0.52 0.25 -0.82 2.01 -1.26 -1.18 115.64 115.01 1uk4 s THR 26 Ca 0.09 -0.43 -0.21 0.00 0.31 0.00 0.00 61.69 61.45 1uk4 s THR 26 Cb -0.12 -0.47 0.05 0.00 0.01 0.00 0.00 72.50 71.98 1uk4 s THR 26 CO 0.01 0.05 0.87 -1.48 -0.69 0.00 0.00 174.62 173.38 1uk4 s LEU 27 N -0.42 -0.12 0.52 4.42 0.05 -0.24 -4.80 118.68 118.10 1uk4 s LEU 27 Ca 0.00 -0.70 -0.17 0.00 0.05 0.00 0.00 54.13 53.31 1uk4 s LEU 27 Cb -0.04 2.47 -0.07 0.00 -2.05 0.00 0.00 46.19 46.50 1uk4 s LEU 27 CO -0.00 -1.24 1.01 0.20 -0.55 0.00 0.00 176.35 175.77 1uk4 s ASN 28 N -3.06 6.41 0.03 1.48 0.01 -0.14 0.04 114.94 119.70 1uk4 s ASN 28 Ca 0.15 1.68 0.01 0.00 -0.71 0.00 0.00 52.86 53.98 1uk4 s ASN 28 Cb -0.04 -2.52 -0.02 0.00 0.41 0.00 0.00 41.25 39.08 1uk4 s ASN 28 CO 0.06 -0.74 -0.05 -0.83 -1.51 0.00 0.00 177.10 174.04 1uk4 s GLY 29 N -2.81 0.34 -0.29 0.66 0.00 0.25 -4.34 107.32 101.14 1uk4 s GLY 29 Ca 0.61 -0.67 -0.09 0.00 0.00 0.00 0.00 44.72 44.57 1uk4 s GLY 29 CO 0.30 -0.73 0.13 -2.27 0.00 0.00 0.00 173.10 170.53 1uk4 s LEU 30 N -1.53 3.91 -0.49 0.66 2.96 -0.07 -0.35 118.68 123.77 1uk4 s LEU 30 Ca -0.13 -0.38 -0.12 0.00 -0.22 0.00 0.00 54.13 53.27 1uk4 s LEU 30 Cb -0.10 -1.99 0.11 0.00 0.50 0.00 0.00 46.19 44.72 1uk4 s LEU 30 CO -0.01 -0.13 0.39 0.86 -1.32 0.00 0.00 176.35 176.14 1uk4 s TRP 31 N 1.63 3.34 -0.21 5.38 -0.00 0.51 -0.92 118.94 128.66 1uk4 s TRP 31 Ca 0.05 -1.53 -0.01 0.00 -0.00 0.00 0.00 56.10 54.61 1uk4 s TRP 31 Cb -0.16 -3.49 0.02 0.00 -0.00 0.00 0.00 33.47 29.83 1uk4 s TRP 31 CO 0.06 -0.96 -0.11 -0.51 -0.00 0.00 0.00 176.95 175.42 1uk4 s LEU 32 N 1.48 2.71 0.00 5.86 1.43 -0.40 -4.72 118.68 125.05 1uk4 s LEU 32 Ca 0.04 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 1uk4 s LEU 32 Cb -0.27 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.35 1uk4 s LEU 32 CO 0.02 -0.05 0.00 0.47 0.23 0.00 0.00 176.35 177.01 1uk4 n ASP 33 N 4.67 0.00 -2.23 2.29 8.00 -1.26 -2.33 116.55 125.69 1uk4 n ASP 33 Ca -0.19 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.03 1uk4 n ASP 33 Cb 0.49 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.71 1uk4 n ASP 33 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1uk4 n ASP 34 N 4.64 5.61 -3.91 -2.24 3.85 -1.26 -1.33 116.55 121.91 1uk4 n ASP 34 Ca 0.00 -3.63 -0.11 0.00 -0.71 0.00 0.00 54.79 50.34 1uk4 n ASP 34 Cb 0.00 -0.90 -0.12 0.00 -1.35 0.00 0.00 41.12 38.75 1uk4 n ASP 34 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1uk4 s THR 35 N -3.86 0.06 -0.10 2.12 2.01 -0.98 -1.61 115.64 113.28 1uk4 s THR 35 Ca 0.58 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 62.12 1uk4 s THR 35 Cb 0.47 -0.20 0.01 0.00 0.01 0.00 0.00 72.50 72.79 1uk4 s THR 35 CO 0.05 -0.27 -0.15 -0.69 -0.69 0.00 0.00 174.62 172.87 1uk4 s VAL 36 N -0.81 1.46 -0.05 3.82 1.01 0.07 -1.27 120.40 124.63 1uk4 s VAL 36 Ca -0.09 -0.63 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 1uk4 s VAL 36 Cb -0.05 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1uk4 s VAL 36 CO -0.00 0.43 0.00 -0.31 0.00 0.00 0.00 175.10 175.22 1uk4 s TYR 37 N 0.85 3.12 0.15 5.22 2.02 -0.10 -0.86 117.35 127.75 1uk4 s TYR 37 Ca -0.10 0.14 -0.23 0.00 -0.37 0.00 0.00 57.07 56.51 1uk4 s TYR 37 Cb -0.15 -1.73 0.07 0.00 -0.40 0.00 0.00 41.96 39.74 1uk4 s TYR 37 CO 0.01 0.46 0.61 0.00 -1.57 0.00 0.00 175.55 175.06 1uk4 n PRO 39 N -0.37 2.55 0.22 0.00 -0.02 -1.26 -1.31 135.00 134.82 1uk4 n PRO 39 Ca -0.17 0.90 0.06 0.00 -2.02 0.00 0.00 63.50 62.27 1uk4 n PRO 39 Cb 0.65 -2.63 0.51 0.00 -0.02 0.00 0.00 33.50 32.01 1uk4 n PRO 39 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1uk4 h ARG 40 N 3.77 0.00 -0.17 -0.52 0.11 -1.49 -2.59 114.38 113.49 1uk4 h ARG 40 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.60 1uk4 h ARG 40 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 1uk4 h ARG 40 CO 0.71 0.19 0.00 -2.39 0.10 0.00 0.00 179.97 178.59 1uk4 n HIS 41 N -4.25 0.00 0.21 4.08 1.44 -1.26 -2.43 115.22 113.01 1uk4 n HIS 41 Ca -0.02 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.78 1uk4 n HIS 41 Cb 0.26 -0.02 0.32 0.00 0.12 0.00 0.00 29.99 30.67 1uk4 n HIS 41 CO 0.00 0.00 0.00 -0.24 -2.81 0.00 0.00 176.34 173.29 1uk4 h VAL 42 N 0.00 0.47 -0.37 0.61 3.04 -1.84 -3.02 116.25 115.14 1uk4 h VAL 42 Ca 0.00 -1.32 -0.15 0.00 -1.01 0.00 0.00 66.70 64.23 1uk4 h VAL 42 Cb 0.08 1.95 -0.09 0.00 -2.01 0.00 0.00 31.29 31.23 1uk4 h VAL 42 CO 0.00 0.23 0.18 2.30 -1.01 0.00 0.00 177.57 179.27 1uk4 n ILE 43 N -3.26 1.70 -4.53 3.17 -5.35 -1.02 -4.52 119.36 105.54 1uk4 n ILE 43 Ca 0.01 -0.76 -0.25 0.00 -0.27 0.00 0.00 62.75 61.48 1uk4 n ILE 43 Cb 0.51 -0.64 -0.11 0.00 -1.74 0.00 0.00 39.64 37.67 1uk4 n ILE 43 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1uk4 n THR 45 N -0.79 -0.65 0.00 0.00 -2.24 -1.26 -4.67 114.28 104.67 1uk4 n THR 45 Ca -0.05 -3.41 0.00 0.00 -2.27 0.00 0.00 64.05 58.32 1uk4 n THR 45 Cb 0.64 -1.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 1uk4 n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uk4 n ALA 46 N 1.73 0.00 -0.42 6.98 0.00 -1.26 -4.02 120.51 123.52 1uk4 n ALA 46 Ca 0.20 0.00 0.37 0.00 0.00 0.00 0.00 53.44 54.01 1uk4 n ALA 46 Cb 0.54 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.63 1uk4 n ALA 46 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1uk4 h GLU 47 N 0.00 0.03 -0.09 0.00 4.39 -2.04 0.89 114.58 117.77 1uk4 h GLU 47 Ca 0.00 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1uk4 h GLU 47 Cb 0.00 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1uk4 h GLU 47 CO 0.00 0.02 0.05 -0.44 -1.16 0.00 0.00 179.01 177.48 1uk4 h ASP 48 N 0.03 0.12 -0.72 1.42 3.32 -1.98 -3.14 116.42 115.48 1uk4 h ASP 48 Ca 0.86 -0.08 0.26 0.00 0.02 0.00 0.00 57.03 58.09 1uk4 h ASP 48 Cb 2.58 -0.03 -0.13 0.00 0.22 0.00 0.00 39.33 41.97 1uk4 h ASP 48 CO -0.55 0.16 0.25 0.23 -1.72 0.00 0.00 179.24 177.62 1uk4 n MET 49 N -4.98 -0.05 -0.32 3.56 2.81 0.31 0.03 117.12 118.48 1uk4 n MET 49 Ca -0.05 1.02 0.28 0.00 -1.81 0.00 0.00 57.70 57.14 1uk4 n MET 49 Cb 0.07 -1.75 0.54 0.00 -0.71 0.00 0.00 33.22 31.36 1uk4 n MET 49 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1uk4 h LEU 50 N 0.00 0.34 -5.00 4.03 -0.00 -1.62 -0.52 115.31 112.53 1uk4 h LEU 50 Ca 0.55 0.24 -0.10 0.00 -0.00 0.00 0.00 57.88 58.57 1uk4 h LEU 50 Cb 1.35 0.24 -0.11 0.00 -0.00 0.00 0.00 40.66 42.15 1uk4 h LEU 50 CO -0.60 -0.34 0.10 -3.20 -0.00 0.00 0.00 178.44 174.40 1uk4 n ASN 51 N -5.21 -1.17 -4.74 -0.43 4.05 -0.45 -3.97 115.26 103.34 1uk4 n ASN 51 Ca 0.35 -1.78 -0.41 0.00 0.45 0.00 0.00 54.58 53.19 1uk4 n ASN 51 Cb 1.16 1.12 -0.03 0.00 1.23 0.00 0.00 39.78 43.25 1uk4 n ASN 51 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1uk4 s PRO 52 N 0.03 4.48 -0.85 1.20 0.04 0.10 -4.95 135.00 135.06 1uk4 s PRO 52 Ca 0.19 1.92 -0.19 0.00 0.04 0.00 0.00 61.00 62.97 1uk4 s PRO 52 Cb 0.28 -3.21 0.13 0.00 0.04 0.00 0.00 34.50 31.74 1uk4 s PRO 52 CO -0.20 -0.09 1.03 1.21 0.04 0.00 0.00 177.00 179.00 1uk4 s ASN 53 N -0.00 6.54 0.11 6.66 3.84 -1.26 -4.88 114.94 125.94 1uk4 s ASN 53 Ca 0.52 -1.91 -0.30 0.00 0.21 0.00 0.00 52.86 51.38 1uk4 s ASN 53 Cb -0.34 -2.37 -0.10 0.00 -0.55 0.00 0.00 41.25 37.89 1uk4 s ASN 53 CO 0.39 -1.07 1.60 1.88 -2.79 0.00 0.00 177.10 177.11 1uk4 h TYR 54 N 8.86 -1.02 -0.90 0.43 -1.99 -1.97 -0.75 116.97 119.63 1uk4 h TYR 54 Ca 0.05 0.02 0.15 0.00 2.00 0.00 0.00 58.73 60.95 1uk4 h TYR 54 Cb 1.04 0.42 -0.15 0.00 2.00 0.00 0.00 36.73 40.04 1uk4 h TYR 54 CO 1.10 -0.48 -0.32 0.39 -0.00 0.00 0.00 178.16 178.85 1uk4 n GLU 55 N -5.45 -0.17 0.20 4.88 4.71 -1.26 0.59 120.64 124.14 1uk4 n GLU 55 Ca -0.08 1.39 0.09 0.00 -0.01 0.00 0.00 57.16 58.56 1uk4 n GLU 55 Cb 0.36 -2.07 0.26 0.00 -1.01 0.00 0.00 31.44 28.97 1uk4 n GLU 55 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 1uk4 h ASP 56 N 0.00 0.00 1.49 1.62 3.58 -1.90 -2.94 116.42 118.26 1uk4 h ASP 56 Ca 0.35 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.80 1uk4 h ASP 56 Cb 0.57 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.62 1uk4 h ASP 56 CO -0.91 0.23 -0.20 0.25 -2.88 0.00 0.00 179.24 175.74 1uk4 h LEU 57 N 0.00 0.00 0.06 2.28 6.46 0.17 -3.25 115.31 121.03 1uk4 h LEU 57 Ca -0.00 -0.04 -0.31 0.00 -0.12 0.00 0.00 57.88 57.42 1uk4 h LEU 57 Cb 1.01 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.91 1uk4 h LEU 57 CO 0.03 0.02 -1.66 0.25 -0.62 0.00 0.00 178.44 176.46 1uk4 h LEU 58 N 0.00 0.21 -2.01 2.25 5.85 -0.51 -3.34 115.31 117.75 1uk4 h LEU 58 Ca 0.00 -0.37 0.12 0.00 0.84 0.00 0.00 57.88 58.47 1uk4 h LEU 58 Cb 0.84 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1uk4 h LEU 58 CO 0.00 1.32 0.32 0.40 -0.34 0.00 0.00 178.44 180.14 1uk4 h ILE 59 N 0.04 0.74 -0.00 4.05 1.08 -1.55 0.33 117.51 122.19 1uk4 h ILE 59 Ca -0.28 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 1uk4 h ILE 59 Cb 2.00 0.77 0.00 0.00 -3.07 0.00 0.00 36.82 36.52 1uk4 h ILE 59 CO 0.11 0.00 -0.16 0.54 -0.69 0.00 0.00 178.15 177.95 1uk4 n ARG 60 N -4.34 0.50 -3.45 2.37 1.74 -1.25 -4.89 116.66 107.34 1uk4 n ARG 60 Ca 0.07 -0.18 -0.31 0.00 -0.77 0.00 0.00 57.85 56.66 1uk4 n ARG 60 Cb 0.52 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.41 1uk4 n ARG 60 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1uk4 s LYS 61 N -2.63 3.74 0.14 5.56 -0.14 0.12 -5.09 119.74 121.44 1uk4 s LYS 61 Ca 0.24 0.17 0.05 0.00 -1.36 0.00 0.00 55.97 55.06 1uk4 s LYS 61 Cb 0.19 -2.68 -0.04 0.00 -1.68 0.00 0.00 37.83 33.62 1uk4 s LYS 61 CO 0.52 0.33 -0.11 -1.54 -0.76 0.00 0.00 175.35 173.79 1uk4 s SER 62 N -2.49 1.81 0.39 2.83 1.04 -1.26 -5.00 113.70 111.03 1uk4 s SER 62 Ca 0.46 -0.99 0.20 0.00 0.48 0.00 0.00 55.95 56.10 1uk4 s SER 62 Cb -0.11 -0.02 1.15 0.00 0.10 0.00 0.00 66.02 67.14 1uk4 s SER 62 CO 0.23 -0.31 1.73 0.78 0.98 0.00 0.00 173.24 176.65 1uk4 h ASN 63 N 2.87 0.43 0.81 7.02 2.35 -1.94 1.62 115.58 128.75 1uk4 h ASN 63 Ca -0.37 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1uk4 h ASN 63 Cb 1.19 0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.61 1uk4 h ASN 63 CO 0.62 0.01 0.00 1.57 -1.65 0.00 0.00 177.43 177.98 1uk4 n HIS 64 N -4.70 0.43 0.34 1.19 -0.00 -1.26 -1.99 115.22 109.22 1uk4 n HIS 64 Ca 0.28 0.15 0.15 0.00 0.46 0.00 0.00 57.72 58.76 1uk4 n HIS 64 Cb 0.99 -0.75 0.60 0.00 -0.12 0.00 0.00 29.99 30.71 1uk4 n HIS 64 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 1uk4 h SER 65 N 0.00 0.00 -3.32 0.26 0.02 0.20 -3.42 113.55 107.29 1uk4 h SER 65 Ca 0.00 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 60.31 1uk4 h SER 65 Cb 0.41 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 62.73 1uk4 h SER 65 CO 0.00 0.00 -0.66 -0.36 -1.14 0.00 0.00 176.83 174.67 1uk4 s PHE 66 N -3.51 3.04 -0.58 3.45 0.08 -0.84 -4.10 117.98 115.51 1uk4 s PHE 66 Ca 0.02 -0.31 -0.01 0.00 0.12 0.00 0.00 56.93 56.76 1uk4 s PHE 66 Cb 0.09 -1.98 0.15 0.00 -0.57 0.00 0.00 43.02 40.71 1uk4 s PHE 66 CO 0.46 -0.06 0.37 -1.17 -0.10 0.00 0.00 175.22 174.73 1uk4 s LEU 67 N 0.45 5.00 -0.01 -0.37 2.96 0.68 -4.78 118.68 122.61 1uk4 s LEU 67 Ca -0.03 -2.82 -0.25 0.00 -0.22 0.00 0.00 54.13 50.81 1uk4 s LEU 67 Cb -0.14 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 1uk4 s LEU 67 CO 0.03 -0.35 0.75 -0.69 -1.32 0.00 0.00 176.35 174.77 1uk4 s VAL 68 N -0.02 4.89 -0.03 1.68 1.01 -1.26 -1.77 120.40 124.90 1uk4 s VAL 68 Ca 0.16 1.58 0.02 0.00 0.00 0.00 0.00 61.98 63.74 1uk4 s VAL 68 Cb -0.22 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 32.08 1uk4 s VAL 68 CO -0.03 0.30 -0.06 -1.10 0.00 0.00 0.00 175.10 174.21 1uk4 s GLN 69 N 0.41 0.82 -0.25 2.72 -0.21 0.13 -1.51 119.66 121.77 1uk4 s GLN 69 Ca 0.39 -0.19 0.01 0.00 0.02 0.00 0.00 55.36 55.59 1uk4 s GLN 69 Cb -0.19 -0.79 0.06 0.00 1.00 0.00 0.00 33.01 33.09 1uk4 s GLN 69 CO 0.21 0.02 -0.06 0.00 -2.12 0.00 0.00 175.29 173.34 1uk4 s ALA 70 N 0.48 2.15 0.00 6.09 0.00 -0.98 0.05 121.76 129.55 1uk4 s ALA 70 Ca -0.07 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.38 1uk4 s ALA 70 Cb -0.10 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.52 1uk4 s ALA 70 CO 0.00 -1.22 0.00 0.41 0.00 0.00 0.00 175.76 174.95 1uk4 n GLY 71 N 4.60 2.09 0.08 0.00 0.00 -1.26 -2.52 105.19 108.18 1uk4 n GLY 71 Ca -0.12 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.34 1uk4 n GLY 71 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1uk4 n ASN 72 N 3.79 0.71 -4.67 1.61 6.94 -1.26 -4.93 115.26 117.45 1uk4 n ASN 72 Ca 0.00 0.34 -0.39 0.00 -0.02 0.00 0.00 54.58 54.51 1uk4 n ASN 72 Cb 0.00 0.15 0.03 0.00 -2.36 0.00 0.00 39.78 37.60 1uk4 n ASN 72 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1uk4 n VAL 73 N -2.98 3.28 -4.33 3.53 0.31 -1.05 -4.99 118.33 112.11 1uk4 n VAL 73 Ca -0.19 -0.50 -0.34 0.00 -0.01 0.00 0.00 64.34 63.30 1uk4 n VAL 73 Cb 1.06 -1.39 -0.11 0.00 -0.91 0.00 0.00 33.84 32.49 1uk4 n VAL 73 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1uk4 s GLN 74 N -2.55 3.51 -0.39 5.55 0.74 -1.26 -2.31 119.66 122.95 1uk4 s GLN 74 Ca 0.69 -0.46 -0.15 0.00 0.05 0.00 0.00 55.36 55.50 1uk4 s GLN 74 Cb -0.46 -2.93 0.01 0.00 1.10 0.00 0.00 33.01 30.73 1uk4 s GLN 74 CO 0.52 0.39 0.30 -0.51 -0.55 0.00 0.00 175.29 175.44 1uk4 s LEU 75 N -0.03 4.87 -0.09 3.68 1.43 -0.57 -4.99 118.68 122.99 1uk4 s LEU 75 Ca 0.03 -0.69 -0.29 0.00 -1.03 0.00 0.00 54.13 52.14 1uk4 s LEU 75 Cb -0.13 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.85 1uk4 s LEU 75 CO 0.02 -0.40 1.62 -0.60 0.23 0.00 0.00 176.35 177.23 1uk4 s ARG 76 N 1.77 4.10 -0.16 1.70 3.52 -1.26 -4.22 118.95 124.40 1uk4 s ARG 76 Ca 0.07 2.05 -0.22 0.00 -0.13 0.00 0.00 55.73 57.50 1uk4 s ARG 76 Cb -0.18 -3.98 -0.03 0.00 -1.56 0.00 0.00 34.95 29.20 1uk4 s ARG 76 CO 0.11 -0.93 0.66 0.54 -0.81 0.00 0.00 175.30 174.87 1uk4 s VAL 77 N 4.25 5.02 -0.21 7.11 0.11 -1.26 -1.51 120.40 133.91 1uk4 s VAL 77 Ca 0.72 1.29 0.13 0.00 -2.93 0.00 0.00 61.98 61.18 1uk4 s VAL 77 Cb -0.31 -3.98 0.41 0.00 -1.53 0.00 0.00 36.38 30.97 1uk4 s VAL 77 CO 0.28 0.14 1.26 2.30 -3.33 0.00 0.00 175.10 175.75 1uk4 n ILE 78 N 4.44 2.21 0.00 7.04 -5.35 -0.63 -4.70 119.36 122.37 1uk4 n ILE 78 Ca -0.01 -2.89 0.00 0.00 -0.27 0.00 0.00 62.75 59.58 1uk4 n ILE 78 Cb 0.50 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.14 1uk4 n ILE 78 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1uk4 n GLY 79 N -1.16 2.42 3.48 3.28 0.00 -1.24 -4.88 105.19 107.10 1uk4 n GLY 79 Ca 0.21 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 1uk4 n GLY 79 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1uk4 s HIS 80 N -2.00 -0.69 0.33 1.61 -3.43 -1.26 -1.14 115.29 108.71 1uk4 s HIS 80 Ca 0.00 1.61 0.01 0.00 -0.80 0.00 0.00 55.06 55.88 1uk4 s HIS 80 Cb 0.00 0.28 -0.01 0.00 -1.43 0.00 0.00 32.58 31.42 1uk4 s HIS 80 CO 0.00 -0.34 0.39 -1.54 -2.00 0.00 0.00 174.74 171.24 1uk4 s SER 81 N 0.60 1.15 -0.03 7.38 1.04 -0.74 -5.01 113.70 118.09 1uk4 s SER 81 Ca -0.02 -1.58 0.04 0.00 0.48 0.00 0.00 55.95 54.87 1uk4 s SER 81 Cb -0.05 0.61 -0.00 0.00 0.10 0.00 0.00 66.02 66.68 1uk4 s SER 81 CO -0.03 -1.19 -0.14 -0.32 0.98 0.00 0.00 173.24 172.54 1uk4 s MET 82 N -3.26 1.42 -0.30 4.02 1.75 -1.26 -1.75 119.30 119.92 1uk4 s MET 82 Ca 0.35 -0.49 -0.00 0.00 -1.25 0.00 0.00 55.69 54.30 1uk4 s MET 82 Cb 0.01 -1.27 0.09 0.00 2.84 0.00 0.00 34.83 36.50 1uk4 s MET 82 CO 0.23 0.20 0.07 -1.14 -0.65 0.00 0.00 175.02 173.73 1uk4 s GLN 83 N 0.06 0.92 5.58 4.11 0.74 -0.44 -4.95 119.66 125.67 1uk4 s GLN 83 Ca -0.02 -1.13 0.00 0.00 0.05 0.00 0.00 55.36 54.26 1uk4 s GLN 83 Cb -0.10 -2.25 0.00 0.00 1.10 0.00 0.00 33.01 31.77 1uk4 s GLN 83 CO 0.01 -0.91 0.00 0.09 -0.55 0.00 0.00 175.29 173.93 1uk4 n ASN 84 N 4.76 0.00 -0.15 6.67 3.02 -1.26 -0.31 115.26 127.99 1uk4 n ASN 84 Ca -0.03 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.61 1uk4 n ASN 84 Cb 0.43 0.00 0.44 0.00 -0.61 0.00 0.00 39.78 40.04 1uk4 n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uk4 s LEU 86 N -1.50 3.55 -0.11 0.00 1.43 0.58 -1.41 118.68 121.22 1uk4 s LEU 86 Ca 0.26 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1uk4 s LEU 86 Cb 0.12 -2.17 0.01 0.00 0.03 0.00 0.00 46.19 44.18 1uk4 s LEU 86 CO 0.20 -0.41 -0.18 -0.22 0.23 0.00 0.00 176.35 175.97 1uk4 s LEU 87 N -4.02 1.88 -0.37 1.79 2.96 -0.42 -1.32 118.68 119.18 1uk4 s LEU 87 Ca 0.42 -0.48 -0.08 0.00 -0.22 0.00 0.00 54.13 53.77 1uk4 s LEU 87 Cb -0.05 -1.21 0.05 0.00 0.50 0.00 0.00 46.19 45.48 1uk4 s LEU 87 CO 0.27 0.06 0.16 -0.13 -1.32 0.00 0.00 176.35 175.39 1uk4 s ARG 88 N 0.78 2.61 -0.30 1.98 0.52 -0.72 -2.59 118.95 121.23 1uk4 s ARG 88 Ca -0.10 -1.27 -0.10 0.00 -0.52 0.00 0.00 55.73 53.74 1uk4 s ARG 88 Cb -0.16 -3.59 -0.02 0.00 0.52 0.00 0.00 34.95 31.70 1uk4 s ARG 88 CO 0.01 -0.77 0.17 -0.51 0.02 0.00 0.00 175.30 174.22 1uk4 s LEU 89 N 1.42 4.11 0.39 2.53 1.43 -0.04 -1.78 118.68 126.73 1uk4 s LEU 89 Ca 0.01 -0.37 -0.23 0.00 -1.03 0.00 0.00 54.13 52.50 1uk4 s LEU 89 Cb -0.21 -2.05 -0.10 0.00 0.03 0.00 0.00 46.19 43.87 1uk4 s LEU 89 CO 0.03 -0.16 0.99 -0.54 0.23 0.00 0.00 176.35 176.90 1uk4 s LYS 90 N 1.67 4.28 0.10 1.70 1.02 -0.29 -0.75 119.74 127.46 1uk4 s LYS 90 Ca 0.06 1.33 0.06 0.00 0.02 0.00 0.00 55.97 57.44 1uk4 s LYS 90 Cb -0.17 -2.48 -0.03 0.00 -0.52 0.00 0.00 37.83 34.63 1uk4 s LYS 90 CO 0.08 -0.01 -0.14 0.14 -0.92 0.00 0.00 175.35 174.49 1uk4 s VAL 91 N -1.82 1.27 -2.00 3.17 -7.23 -0.63 -1.60 120.40 111.56 1uk4 s VAL 91 Ca 0.57 -1.57 0.10 0.00 -1.81 0.00 0.00 61.98 59.28 1uk4 s VAL 91 Cb -0.17 -1.38 0.30 0.00 0.56 0.00 0.00 36.38 35.69 1uk4 s VAL 91 CO 0.22 -0.33 1.15 -0.90 -0.31 0.00 0.00 175.10 174.92 1uk4 n ASP 92 N 0.82 0.00 -3.82 4.85 5.75 -0.57 -4.71 116.55 118.87 1uk4 n ASP 92 Ca -0.18 -1.00 -0.16 0.00 -0.01 0.00 0.00 54.79 53.44 1uk4 n ASP 92 Cb 0.56 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.49 1uk4 n ASP 92 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1uk4 s THR 93 N -2.00 0.14 -0.07 2.12 2.01 -1.26 -5.06 115.64 111.52 1uk4 s THR 93 Ca 0.16 0.09 -0.23 0.00 0.31 0.00 0.00 61.69 62.02 1uk4 s THR 93 Cb 0.07 -0.23 -0.04 0.00 0.01 0.00 0.00 72.50 72.31 1uk4 s THR 93 CO 0.12 0.13 0.68 -0.55 -0.69 0.00 0.00 174.62 174.31 1uk4 s SER 94 N 0.94 6.97 -0.23 3.53 0.15 -1.26 -4.40 113.70 119.40 1uk4 s SER 94 Ca -0.09 1.17 -0.28 0.00 0.70 0.00 0.00 55.95 57.44 1uk4 s SER 94 Cb -0.13 -2.40 -0.05 0.00 -1.71 0.00 0.00 66.02 61.74 1uk4 s SER 94 CO -0.02 -0.10 2.14 0.21 1.20 0.00 0.00 173.24 176.68 1uk4 s ASN 95 N 0.73 5.54 0.14 5.45 2.47 -0.44 -4.84 114.94 123.99 1uk4 s ASN 95 Ca 0.36 1.81 0.13 0.00 0.42 0.00 0.00 52.86 55.59 1uk4 s ASN 95 Cb -0.18 -2.51 0.64 0.00 -1.45 0.00 0.00 41.25 37.75 1uk4 s ASN 95 CO 0.18 -1.90 1.41 -2.65 -3.72 0.00 0.00 177.10 170.41 1uk4 n PRO 96 N 8.68 0.08 -0.35 0.43 -0.02 -1.26 -1.32 135.00 141.24 1uk4 n PRO 96 Ca 0.28 0.48 0.08 0.00 -2.02 0.00 0.00 63.50 62.32 1uk4 n PRO 96 Cb 0.45 -1.70 0.24 0.00 -0.02 0.00 0.00 33.50 32.47 1uk4 n PRO 96 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1uk4 n LYS 97 N -1.86 3.07 -1.68 -0.52 5.02 -1.26 -4.99 118.16 115.93 1uk4 n LYS 97 Ca 0.01 -2.48 -0.43 0.00 -2.02 0.00 0.00 58.31 53.39 1uk4 n LYS 97 Cb 0.08 -1.56 -0.03 0.00 -0.02 0.00 0.00 35.03 33.50 1uk4 n LYS 97 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1uk4 n THR 98 N 0.65 0.50 -2.79 -0.18 -1.04 -0.43 -4.81 114.28 106.17 1uk4 n THR 98 Ca 0.19 -0.09 -0.21 0.00 -2.04 0.00 0.00 64.05 61.89 1uk4 n THR 98 Cb 0.64 -2.13 0.03 0.00 -1.82 0.00 0.00 70.33 67.05 1uk4 n THR 98 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1uk4 s PRO 99 N 3.34 2.75 0.16 -2.82 0.04 -1.26 -5.03 135.00 132.17 1uk4 s PRO 99 Ca 0.85 -0.71 -0.31 0.00 0.04 0.00 0.00 61.00 60.87 1uk4 s PRO 99 Cb -0.50 -2.53 -0.09 0.00 0.04 0.00 0.00 34.50 31.42 1uk4 s PRO 99 CO 0.40 -0.52 1.47 0.15 0.04 0.00 0.00 177.00 178.54 1uk4 s LYS 100 N -4.66 4.27 0.27 4.56 1.02 -1.26 -4.93 119.74 119.02 1uk4 s LYS 100 Ca 0.54 2.22 -0.01 0.00 0.02 0.00 0.00 55.97 58.74 1uk4 s LYS 100 Cb -0.10 -3.19 -0.02 0.00 -0.52 0.00 0.00 37.83 34.00 1uk4 s LYS 100 CO 0.38 -0.50 0.30 1.52 -0.92 0.00 0.00 175.35 176.12 1uk4 s TYR 101 N 0.95 1.14 0.14 3.18 -0.85 -1.26 -0.50 117.35 120.15 1uk4 s TYR 101 Ca 0.66 -1.31 -0.12 0.00 -0.52 0.00 0.00 57.07 55.77 1uk4 s TYR 101 Cb -0.40 -0.37 0.01 0.00 0.38 0.00 0.00 41.96 41.58 1uk4 s TYR 101 CO 0.32 -0.86 0.33 0.15 -1.52 0.00 0.00 175.55 173.98 1uk4 s LYS 102 N -3.74 1.08 -0.17 -3.49 1.02 -0.54 -4.88 119.74 109.02 1uk4 s LYS 102 Ca 0.35 -0.93 0.01 0.00 0.02 0.00 0.00 55.97 55.42 1uk4 s LYS 102 Cb 0.03 0.42 0.02 0.00 -0.52 0.00 0.00 37.83 37.78 1uk4 s LYS 102 CO 0.17 -0.41 -0.20 -0.06 -0.92 0.00 0.00 175.35 173.94 1uk4 s PHE 103 N -3.87 2.68 0.02 3.18 2.99 -1.26 -1.43 117.98 120.28 1uk4 s PHE 103 Ca 0.08 -1.55 0.02 0.00 0.00 0.00 0.00 56.93 55.48 1uk4 s PHE 103 Cb 0.03 -1.86 -0.01 0.00 0.00 0.00 0.00 43.02 41.17 1uk4 s PHE 103 CO -0.07 -0.76 -0.06 0.14 -0.00 0.00 0.00 175.22 174.47 1uk4 s VAL 104 N 1.24 0.45 -0.25 -0.44 -7.23 -0.67 -4.97 120.40 108.53 1uk4 s VAL 104 Ca 0.03 -0.67 -0.18 0.00 -1.81 0.00 0.00 61.98 59.34 1uk4 s VAL 104 Cb -0.13 -0.46 -0.03 0.00 0.56 0.00 0.00 36.38 36.32 1uk4 s VAL 104 CO -0.11 -0.16 0.53 -0.60 -0.31 0.00 0.00 175.10 174.45 1uk4 s ARG 105 N -0.91 4.09 0.66 4.82 3.52 -1.26 -4.10 118.95 125.77 1uk4 s ARG 105 Ca -0.05 0.37 -0.13 0.00 -0.13 0.00 0.00 55.73 55.79 1uk4 s ARG 105 Cb -0.06 -3.64 -0.01 0.00 -1.56 0.00 0.00 34.95 29.68 1uk4 s ARG 105 CO 0.00 -0.34 1.07 -1.50 -0.81 0.00 0.00 175.30 173.72 1uk4 s ILE 106 N 2.28 3.77 0.06 4.11 1.10 -1.26 -5.06 121.20 126.19 1uk4 s ILE 106 Ca 0.22 0.71 0.03 0.00 -0.51 0.00 0.00 60.65 61.10 1uk4 s ILE 106 Cb -0.16 -3.30 -0.04 0.00 0.15 0.00 0.00 42.46 39.11 1uk4 s ILE 106 CO 0.09 -0.62 0.05 -1.10 -2.11 0.00 0.00 174.94 171.25 1uk4 s GLN 107 N -4.52 2.84 0.14 3.50 -1.52 -1.26 -5.04 119.66 113.79 1uk4 s GLN 107 Ca 0.62 -0.67 -0.34 0.00 -1.95 0.00 0.00 55.36 53.01 1uk4 s GLN 107 Cb -0.16 -2.71 -0.17 0.00 -0.22 0.00 0.00 33.01 29.76 1uk4 s GLN 107 CO 0.46 0.58 1.08 -2.30 -0.25 0.00 0.00 175.29 174.86 1uk4 n PRO 108 N 0.72 0.81 0.00 2.91 -0.02 -1.26 -0.95 135.00 137.21 1uk4 n PRO 108 Ca -0.10 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1uk4 n PRO 108 Cb 0.52 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1uk4 n PRO 108 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uk4 n GLY 109 N 1.95 3.19 3.81 -1.23 0.00 0.34 -4.95 105.19 108.30 1uk4 n GLY 109 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1uk4 n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uk4 s GLN 110 N -0.46 2.59 0.47 1.61 -0.21 -0.12 -4.60 119.66 118.93 1uk4 s GLN 110 Ca 0.00 0.90 0.04 0.00 0.02 0.00 0.00 55.36 56.31 1uk4 s GLN 110 Cb 0.00 -1.96 -0.04 0.00 1.00 0.00 0.00 33.01 32.02 1uk4 s GLN 110 CO 0.00 -1.33 0.01 0.95 -2.12 0.00 0.00 175.29 172.80 1uk4 s THR 111 N -3.05 1.51 0.10 -0.19 -4.23 -1.26 -0.31 115.64 108.21 1uk4 s THR 111 Ca 0.59 -1.99 -0.26 0.00 -1.18 0.00 0.00 61.69 58.85 1uk4 s THR 111 Cb -0.15 -2.50 0.08 0.00 1.34 0.00 0.00 72.50 71.28 1uk4 s THR 111 CO 0.55 0.00 1.09 0.72 -0.54 0.00 0.00 174.62 176.44 1uk4 s PHE 112 N -2.81 -0.04 0.03 3.99 -0.12 -0.89 -4.91 117.98 113.22 1uk4 s PHE 112 Ca 0.18 -0.22 -0.01 0.00 -0.05 0.00 0.00 56.93 56.83 1uk4 s PHE 112 Cb 0.05 0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 43.02 1uk4 s PHE 112 CO 0.09 -0.66 0.19 -1.12 -0.05 0.00 0.00 175.22 173.67 1uk4 s SER 113 N -3.13 6.28 -0.10 1.98 0.01 0.67 -1.97 113.70 117.43 1uk4 s SER 113 Ca 0.16 0.28 0.02 0.00 1.31 0.00 0.00 55.95 57.72 1uk4 s SER 113 Cb 0.00 -1.93 0.01 0.00 0.21 0.00 0.00 66.02 64.31 1uk4 s SER 113 CO 0.01 0.21 -0.16 -0.69 0.41 0.00 0.00 173.24 173.02 1uk4 s VAL 114 N -1.42 1.52 -0.50 3.43 1.01 0.02 0.12 120.40 124.58 1uk4 s VAL 114 Ca 0.31 -0.66 -0.15 0.00 0.00 0.00 0.00 61.98 61.48 1uk4 s VAL 114 Cb -0.13 -1.38 0.10 0.00 0.00 0.00 0.00 36.38 34.98 1uk4 s VAL 114 CO 0.23 0.44 0.43 -0.22 0.00 0.00 0.00 175.10 175.99 1uk4 s LEU 115 N 0.88 5.85 -0.02 3.92 2.96 -0.85 -2.11 118.68 129.30 1uk4 s LEU 115 Ca -0.09 -1.58 -0.30 0.00 -0.22 0.00 0.00 54.13 51.94 1uk4 s LEU 115 Cb -0.15 -2.17 -0.05 0.00 0.50 0.00 0.00 46.19 44.32 1uk4 s LEU 115 CO 0.00 -0.74 1.37 0.00 -1.32 0.00 0.00 176.35 175.66 1uk4 s ALA 116 N 1.59 3.57 0.10 5.97 0.00 -0.56 -3.89 121.76 128.54 1uk4 s ALA 116 Ca 0.04 0.81 0.09 0.00 0.00 0.00 0.00 51.96 52.89 1uk4 s ALA 116 Cb -0.27 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.23 1uk4 s ALA 116 CO 0.04 -0.93 -0.22 0.00 0.00 0.00 0.00 175.76 174.65 1uk4 s TYR 118 N -1.14 1.84 -1.16 0.00 2.02 -0.42 -3.56 117.35 114.92 1uk4 s TYR 118 Ca 0.07 -1.99 -0.02 0.00 -0.37 0.00 0.00 57.07 54.76 1uk4 s TYR 118 Cb -0.10 -1.79 -0.02 0.00 -0.40 0.00 0.00 41.96 39.65 1uk4 s TYR 118 CO 0.04 -0.85 0.96 0.09 -1.57 0.00 0.00 175.55 174.22 1uk4 n ASN 119 N 4.40 -3.37 0.00 2.29 3.02 -1.14 -2.97 115.26 117.49 1uk4 n ASN 119 Ca 0.02 -0.66 0.00 0.00 -0.03 0.00 0.00 54.58 53.91 1uk4 n ASN 119 Cb 0.40 -5.07 0.00 0.00 -0.61 0.00 0.00 39.78 34.49 1uk4 n ASN 119 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uk4 n GLY 120 N -1.19 2.55 3.38 7.41 0.00 -1.26 -4.63 105.19 111.45 1uk4 n GLY 120 Ca -0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 1uk4 n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uk4 s SER 121 N -1.71 5.06 -0.06 1.61 0.01 -1.16 -4.49 113.70 112.96 1uk4 s SER 121 Ca 0.00 -0.47 -0.29 0.00 1.31 0.00 0.00 55.95 56.49 1uk4 s SER 121 Cb 0.00 -1.89 -0.07 0.00 0.21 0.00 0.00 66.02 64.27 1uk4 s SER 121 CO 0.00 -0.11 1.98 -2.84 0.41 0.00 0.00 173.24 172.67 1uk4 s PRO 122 N 1.55 3.84 -0.17 12.44 0.02 -1.26 -1.31 135.00 150.10 1uk4 s PRO 122 Ca 0.05 2.33 -0.17 0.00 0.02 0.00 0.00 61.00 63.22 1uk4 s PRO 122 Cb -0.16 -4.19 -0.14 0.00 0.02 0.00 0.00 34.50 30.03 1uk4 s PRO 122 CO 0.02 -1.29 0.15 1.03 -0.33 0.00 0.00 177.00 176.59 1uk4 h SER 123 N 11.74 0.00 -5.16 2.53 0.87 -0.82 -3.48 113.55 119.22 1uk4 h SER 123 Ca -0.45 -0.39 -0.05 0.00 -1.23 0.00 0.00 61.79 59.67 1uk4 h SER 123 Cb 1.22 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.14 1uk4 h SER 123 CO 0.95 1.15 0.08 -0.83 -0.53 0.00 0.00 176.83 177.65 1uk4 s GLY 124 N -4.51 0.49 0.02 5.77 0.00 -1.21 -5.03 107.32 102.85 1uk4 s GLY 124 Ca -0.22 -0.81 0.03 0.00 0.00 0.00 0.00 44.72 43.73 1uk4 s GLY 124 CO 0.45 -0.46 -0.10 0.54 0.00 0.00 0.00 173.10 173.53 1uk4 s VAL 125 N -3.29 0.80 0.14 1.40 0.11 -1.26 -1.50 120.40 116.80 1uk4 s VAL 125 Ca 0.19 -0.70 -0.17 0.00 -2.93 0.00 0.00 61.98 58.36 1uk4 s VAL 125 Cb -0.03 -0.72 0.04 0.00 -1.53 0.00 0.00 36.38 34.13 1uk4 s VAL 125 CO 0.11 0.03 0.45 -0.72 -3.33 0.00 0.00 175.10 171.64 1uk4 s TYR 126 N -0.62 -0.23 -0.07 1.54 -0.85 -0.90 -4.98 117.35 111.23 1uk4 s TYR 126 Ca 0.00 -0.07 -0.04 0.00 -0.52 0.00 0.00 57.07 56.44 1uk4 s TYR 126 Cb -0.06 0.33 -0.04 0.00 0.38 0.00 0.00 41.96 42.57 1uk4 s TYR 126 CO 0.00 -0.77 0.11 -1.14 -1.52 0.00 0.00 175.55 172.24 1uk4 s GLN 127 N -3.81 3.28 0.31 -3.49 2.00 -1.26 -0.80 119.66 115.89 1uk4 s GLN 127 Ca 0.04 -0.28 -0.02 0.00 -2.00 0.00 0.00 55.36 53.10 1uk4 s GLN 127 Cb 0.01 -3.04 0.01 0.00 0.80 0.00 0.00 33.01 30.79 1uk4 s GLN 127 CO -0.10 0.72 0.44 0.00 -0.50 0.00 0.00 175.29 175.85 1uk4 s ALA 129 N -2.64 0.79 -0.46 0.00 0.00 -1.26 -2.11 121.76 116.08 1uk4 s ALA 129 Ca 0.26 -0.65 -0.29 0.00 0.00 0.00 0.00 51.96 51.28 1uk4 s ALA 129 Cb -0.01 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.03 1uk4 s ALA 129 CO 0.18 0.11 1.38 1.41 0.00 0.00 0.00 175.76 178.85 1uk4 s MET 130 N -1.01 3.51 0.58 0.00 1.75 0.58 -4.60 119.30 120.11 1uk4 s MET 130 Ca -0.02 0.75 -0.20 0.00 -1.25 0.00 0.00 55.69 54.97 1uk4 s MET 130 Cb -0.07 -4.04 -0.04 0.00 2.84 0.00 0.00 34.83 33.52 1uk4 s MET 130 CO 0.01 -1.65 1.28 1.03 -0.65 0.00 0.00 175.02 175.03 1uk4 s ARG 131 N 5.04 2.99 0.35 4.11 1.81 -0.49 0.13 118.95 132.90 1uk4 s ARG 131 Ca 0.57 2.02 0.10 0.00 -1.72 0.00 0.00 55.73 56.71 1uk4 s ARG 131 Cb -0.12 -2.06 0.86 0.00 -0.45 0.00 0.00 34.95 33.18 1uk4 s ARG 131 CO 0.31 -1.25 1.83 -1.35 -0.68 0.00 0.00 175.30 174.16 1uk4 h PRO 132 N 1.09 0.63 -0.01 3.54 0.11 -1.86 0.57 132.00 136.07 1uk4 h PRO 132 Ca -0.51 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1uk4 h PRO 132 Cb 1.30 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1uk4 h PRO 132 CO 0.56 0.41 0.00 0.27 -0.21 0.00 0.00 178.00 179.03 1uk4 n ASN 133 N -4.61 0.01 -1.17 -2.05 6.94 -1.26 -4.86 115.26 108.26 1uk4 n ASN 133 Ca 0.20 -1.73 -0.11 0.00 -0.02 0.00 0.00 54.58 52.92 1uk4 n ASN 133 Cb 0.57 -0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.97 1uk4 n ASN 133 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1uk4 n HIS 134 N -0.49 -0.42 -4.37 -2.53 8.25 0.20 -4.59 115.22 111.27 1uk4 n HIS 134 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.27 1uk4 n HIS 134 Cb 0.00 -2.47 -0.10 0.00 1.12 0.00 0.00 29.99 28.54 1uk4 n HIS 134 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1uk4 s THR 135 N -2.52 1.06 -0.02 1.59 -4.23 -1.25 -4.49 115.64 105.78 1uk4 s THR 135 Ca 0.00 -2.03 0.06 0.00 -1.18 0.00 0.00 61.69 58.55 1uk4 s THR 135 Cb 0.00 -2.53 -0.01 0.00 1.34 0.00 0.00 72.50 71.30 1uk4 s THR 135 CO 0.00 -0.18 -0.21 0.27 -0.54 0.00 0.00 174.62 173.96 1uk4 s ILE 136 N -3.40 1.65 -1.18 2.99 -4.36 -0.72 -1.39 121.20 114.79 1uk4 s ILE 136 Ca 0.32 -0.89 -0.12 0.00 -0.26 0.00 0.00 60.65 59.71 1uk4 s ILE 136 Cb 0.07 -1.38 0.21 0.00 1.25 0.00 0.00 42.46 42.61 1uk4 s ILE 136 CO 0.12 0.47 1.35 0.29 0.24 0.00 0.00 174.94 177.40 1uk4 n LYS 137 N 2.64 3.46 0.00 0.37 5.02 -1.26 -1.83 118.16 126.55 1uk4 n LYS 137 Ca -0.16 -4.05 0.00 0.00 -2.02 0.00 0.00 58.31 52.08 1uk4 n LYS 137 Cb 0.53 -2.87 0.00 0.00 -0.02 0.00 0.00 35.03 32.67 1uk4 n LYS 137 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uk4 n GLY 138 N 3.53 3.27 2.74 0.72 0.00 -1.26 -4.97 105.19 109.22 1uk4 n GLY 138 Ca 0.33 -1.85 -0.18 0.00 0.00 0.00 0.00 46.02 44.32 1uk4 n GLY 138 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uk4 s SER 139 N -0.14 1.55 -0.13 1.61 0.15 -1.26 -5.03 113.70 110.45 1uk4 s SER 139 Ca 0.00 -1.22 0.01 0.00 0.70 0.00 0.00 55.95 55.44 1uk4 s SER 139 Cb 0.00 0.47 0.02 0.00 -1.71 0.00 0.00 66.02 64.80 1uk4 s SER 139 CO 0.00 -0.33 -0.13 -0.36 1.20 0.00 0.00 173.24 173.62 1uk4 s PHE 140 N 1.86 1.99 0.00 3.44 0.40 -1.26 -4.97 117.98 119.44 1uk4 s PHE 140 Ca 0.13 -1.04 0.00 0.00 -0.60 0.00 0.00 56.93 55.42 1uk4 s PHE 140 Cb -0.15 -1.48 0.00 0.00 0.51 0.00 0.00 43.02 41.90 1uk4 s PHE 140 CO -0.18 -0.58 0.00 1.28 0.70 0.00 0.00 175.22 176.44 1uk4 n LEU 141 N 4.61 0.00 -4.72 -0.37 4.77 -1.26 -5.00 117.00 115.03 1uk4 n LEU 141 Ca -0.17 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.39 1uk4 n LEU 141 Cb 0.50 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 1uk4 n LEU 141 CO 0.21 0.00 0.94 0.20 -1.33 0.00 0.00 177.39 177.41 1uk4 s ASN 142 N -1.00 7.00 0.00 -1.43 0.01 -1.26 -3.55 114.94 114.71 1uk4 s ASN 142 Ca 0.00 2.14 0.00 0.00 -0.71 0.00 0.00 52.86 54.29 1uk4 s ASN 142 Cb 0.00 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.07 1uk4 s ASN 142 CO 0.00 -0.51 0.00 0.61 -1.51 0.00 0.00 177.10 175.69 1uk4 n GLY 143 N 3.15 0.44 1.17 0.66 0.00 -1.26 -4.88 105.19 104.47 1uk4 n GLY 143 Ca 0.09 -0.98 0.12 0.00 0.00 0.00 0.00 46.02 45.25 1uk4 n GLY 143 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uk4 n SER 144 N 1.82 3.51 -4.77 1.61 3.41 -1.23 -2.87 113.62 115.11 1uk4 n SER 144 Ca 0.00 -1.99 -0.41 0.00 -0.26 0.00 0.00 58.87 56.21 1uk4 n SER 144 Cb 0.06 -0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 63.72 1uk4 n SER 144 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uk4 n GLY 146 N 0.97 0.17 3.76 0.00 0.00 -0.30 -0.96 105.19 108.82 1uk4 n GLY 146 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1uk4 n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uk4 s SER 147 N -2.33 5.24 0.15 1.61 0.01 -0.78 -4.52 113.70 113.08 1uk4 s SER 147 Ca 0.00 2.26 0.07 0.00 1.31 0.00 0.00 55.95 59.59 1uk4 s SER 147 Cb 0.00 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 1uk4 s SER 147 CO 0.00 -1.55 -0.15 0.68 0.41 0.00 0.00 173.24 172.63 1uk4 s VAL 148 N -1.80 1.55 0.06 3.43 -7.23 -1.25 -1.06 120.40 114.10 1uk4 s VAL 148 Ca 0.74 -1.87 0.03 0.00 -1.81 0.00 0.00 61.98 59.07 1uk4 s VAL 148 Cb -0.27 -1.73 -0.04 0.00 0.56 0.00 0.00 36.38 34.91 1uk4 s VAL 148 CO 0.34 -0.42 0.05 -0.83 -0.31 0.00 0.00 175.10 173.92 1uk4 s GLY 149 N -2.67 1.97 0.24 2.32 0.00 0.86 -2.01 107.32 108.03 1uk4 s GLY 149 Ca 0.13 -1.01 -0.22 0.00 0.00 0.00 0.00 44.72 43.63 1uk4 s GLY 149 CO 0.05 -0.96 0.68 -0.11 0.00 0.00 0.00 173.10 172.75 1uk4 s PHE 150 N -1.29 -0.32 0.10 1.90 -0.12 0.12 -1.89 117.98 116.48 1uk4 s PHE 150 Ca 0.26 -0.05 0.05 0.00 -0.05 0.00 0.00 56.93 57.13 1uk4 s PHE 150 Cb -0.12 0.66 -0.04 0.00 -0.63 0.00 0.00 43.02 42.89 1uk4 s PHE 150 CO 0.18 -1.10 -0.12 -0.80 -0.05 0.00 0.00 175.22 173.33 1uk4 s ASN 151 N -2.86 1.68 -0.00 1.98 0.01 -0.66 -0.24 114.94 114.85 1uk4 s ASN 151 Ca 0.07 -0.79 0.07 0.00 -0.71 0.00 0.00 52.86 51.50 1uk4 s ASN 151 Cb -0.04 -0.03 -0.02 0.00 0.41 0.00 0.00 41.25 41.57 1uk4 s ASN 151 CO -0.00 -0.20 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.55 1uk4 s ILE 152 N -2.18 1.65 -0.25 0.60 1.01 -1.26 -1.07 121.20 119.71 1uk4 s ILE 152 Ca 0.06 -0.96 -0.04 0.00 0.00 0.00 0.00 60.65 59.71 1uk4 s ILE 152 Cb -0.05 -1.39 0.09 0.00 0.01 0.00 0.00 42.46 41.12 1uk4 s ILE 152 CO 0.01 0.41 0.11 -1.81 0.00 0.00 0.00 174.94 173.67 1uk4 s ASP 153 N -0.64 3.20 1.55 3.58 1.11 -0.90 -5.02 116.67 119.55 1uk4 s ASP 153 Ca 0.08 -1.10 0.00 0.00 0.18 0.00 0.00 52.55 51.71 1uk4 s ASP 153 Cb -0.08 -0.37 0.00 0.00 1.07 0.00 0.00 42.92 43.54 1uk4 s ASP 153 CO -0.00 -0.41 0.00 -1.22 1.18 0.00 0.00 175.17 174.72 1uk4 n TYR 154 N 5.22 0.00 0.46 4.23 4.02 -1.26 -1.53 117.16 128.30 1uk4 n TYR 154 Ca -0.06 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.91 1uk4 n TYR 154 Cb 0.44 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.66 1uk4 n TYR 154 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1uk4 n ASP 155 N 10.68 0.94 -4.65 7.72 5.75 -1.26 -4.98 116.55 130.75 1uk4 n ASP 155 Ca 0.00 -0.54 -0.40 0.00 -0.01 0.00 0.00 54.79 53.84 1uk4 n ASP 155 Cb 0.00 1.28 -0.07 0.00 -1.03 0.00 0.00 41.12 41.31 1uk4 n ASP 155 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1uk4 s VAL 157 N 1.96 5.07 -0.42 0.00 1.01 0.35 -2.11 120.40 126.25 1uk4 s VAL 157 Ca 0.25 0.96 -0.12 0.00 0.00 0.00 0.00 61.98 63.07 1uk4 s VAL 157 Cb -0.16 -3.85 0.06 0.00 0.00 0.00 0.00 36.38 32.43 1uk4 s VAL 157 CO 0.10 0.11 0.29 -0.44 0.00 0.00 0.00 175.10 175.16 1uk4 s SER 158 N 1.37 5.87 -0.12 3.32 0.01 -0.23 -1.46 113.70 122.46 1uk4 s SER 158 Ca 0.23 -1.25 -0.27 0.00 1.31 0.00 0.00 55.95 55.98 1uk4 s SER 158 Cb -0.16 -2.08 -0.02 0.00 0.21 0.00 0.00 66.02 63.98 1uk4 s SER 158 CO 0.09 -0.52 0.88 -0.36 0.41 0.00 0.00 173.24 173.74 1uk4 s PHE 159 N 1.55 3.50 0.00 2.43 0.08 -0.52 -1.66 117.98 123.36 1uk4 s PHE 159 Ca 0.03 1.40 0.00 0.00 0.12 0.00 0.00 56.93 58.48 1uk4 s PHE 159 Cb -0.22 -3.05 0.00 0.00 -0.57 0.00 0.00 43.02 39.19 1uk4 s PHE 159 CO 0.06 -0.16 0.00 0.00 -0.10 0.00 0.00 175.22 175.01 1uk4 s TYR 161 N -1.15 -0.01 -0.04 0.00 5.04 -1.15 -4.18 117.35 115.86 1uk4 s TYR 161 Ca 0.00 0.04 0.01 0.00 -2.44 0.00 0.00 57.07 54.68 1uk4 s TYR 161 Cb 0.00 -0.02 0.02 0.00 0.35 0.00 0.00 41.96 42.32 1uk4 s TYR 161 CO 0.00 -0.10 -0.03 1.41 -1.34 0.00 0.00 175.55 175.49 1uk4 s MET 162 N -0.40 0.68 -0.05 4.97 -2.45 0.78 -0.10 119.30 122.73 1uk4 s MET 162 Ca -0.05 -0.06 -0.29 0.00 -1.25 0.00 0.00 55.69 54.05 1uk4 s MET 162 Cb -0.03 -0.74 -0.02 0.00 1.25 0.00 0.00 34.83 35.29 1uk4 s MET 162 CO 0.00 -0.09 0.95 -1.58 1.05 0.00 0.00 175.02 175.35 1uk4 s HIS 163 N 0.93 3.59 0.03 4.11 2.46 -0.22 -1.18 115.29 125.02 1uk4 s HIS 163 Ca -0.11 1.59 0.00 0.00 0.47 0.00 0.00 55.06 57.01 1uk4 s HIS 163 Cb -0.14 -3.10 0.00 0.00 -0.13 0.00 0.00 32.58 29.21 1uk4 s HIS 163 CO -0.00 -0.08 0.00 0.72 -2.47 0.00 0.00 174.74 172.91 1uk4 n HIS 164 N 4.31 -0.03 -3.68 3.88 8.25 -1.01 -1.15 115.22 125.79 1uk4 n HIS 164 Ca 0.06 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.31 1uk4 n HIS 164 Cb 0.50 0.02 -0.04 0.00 1.12 0.00 0.00 29.99 31.59 1uk4 n HIS 164 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1uk4 s MET 165 N -1.32 2.53 -0.01 -0.41 -1.94 -0.83 -4.89 119.30 112.42 1uk4 s MET 165 Ca 0.00 -1.52 0.06 0.00 -1.71 0.00 0.00 55.69 52.52 1uk4 s MET 165 Cb 0.00 -2.35 -0.01 0.00 2.01 0.00 0.00 34.83 34.48 1uk4 s MET 165 CO 0.00 -0.12 -0.19 -2.00 -0.01 0.00 0.00 175.02 172.70 1uk4 s GLU 166 N -4.07 1.53 0.12 2.03 2.12 -1.26 -1.75 118.70 117.41 1uk4 s GLU 166 Ca 0.46 -0.69 0.03 0.00 0.36 0.00 0.00 54.97 55.13 1uk4 s GLU 166 Cb -0.03 -1.48 -0.04 0.00 0.26 0.00 0.00 34.13 32.84 1uk4 s GLU 166 CO 0.27 0.41 0.19 -0.51 -0.54 0.00 0.00 175.26 175.08 1uk4 s LEU 167 N -0.47 4.12 0.49 2.70 1.02 -0.31 -4.91 118.68 121.32 1uk4 s LEU 167 Ca 0.07 0.09 0.22 0.00 0.02 0.00 0.00 54.13 54.53 1uk4 s LEU 167 Cb -0.07 -2.72 1.19 0.00 0.02 0.00 0.00 46.19 44.61 1uk4 s LEU 167 CO -0.01 0.10 1.63 1.55 0.02 0.00 0.00 176.35 179.64 1uk4 h PRO 168 N 2.62 0.00 0.00 1.29 0.13 -1.89 0.54 132.00 134.70 1uk4 h PRO 168 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1uk4 h PRO 168 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1uk4 h PRO 168 CO 0.68 0.00 0.00 1.15 -0.23 0.00 0.00 178.00 179.60 1uk4 h THR 169 N 0.00 0.00 0.00 1.56 2.02 -1.95 -3.45 112.91 111.09 1uk4 h THR 169 Ca 0.00 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1uk4 h THR 169 Cb 0.57 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1uk4 h THR 169 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1uk4 n GLY 170 N 0.47 0.86 1.68 2.16 0.00 0.19 -5.07 105.19 105.47 1uk4 n GLY 170 Ca 0.03 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 1uk4 n GLY 170 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1uk4 n VAL 171 N -2.27 0.00 -4.14 1.61 0.31 -1.21 -4.84 118.33 107.79 1uk4 n VAL 171 Ca 0.00 -0.77 -0.16 0.00 -0.01 0.00 0.00 64.34 63.40 1uk4 n VAL 171 Cb 0.00 -0.94 -0.14 0.00 -0.91 0.00 0.00 33.84 31.84 1uk4 n VAL 171 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1uk4 s HIS 172 N -0.80 0.45 0.08 3.52 0.09 -0.76 -1.16 115.29 116.71 1uk4 s HIS 172 Ca 0.27 -0.09 0.08 0.00 -0.00 0.00 0.00 55.06 55.33 1uk4 s HIS 172 Cb -0.02 -0.29 -0.04 0.00 -0.00 0.00 0.00 32.58 32.24 1uk4 s HIS 172 CO 0.18 -0.01 -0.19 0.00 -0.00 0.00 0.00 174.74 174.71 1uk4 s ALA 173 N -0.13 2.59 0.04 -1.40 0.00 -0.72 -1.76 121.76 120.38 1uk4 s ALA 173 Ca 0.02 -1.29 -0.01 0.00 0.00 0.00 0.00 51.96 50.68 1uk4 s ALA 173 Cb -0.02 -0.65 0.01 0.00 0.00 0.00 0.00 23.12 22.45 1uk4 s ALA 173 CO -0.00 0.58 0.08 0.41 0.00 0.00 0.00 175.76 176.82 1uk4 n GLY 174 N 1.19 2.03 3.42 0.00 0.00 -1.26 -1.96 105.19 108.60 1uk4 n GLY 174 Ca -0.16 -1.08 -0.22 0.00 0.00 0.00 0.00 46.02 44.57 1uk4 n GLY 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uk4 s THR 175 N -2.86 0.61 0.71 2.61 -4.23 -0.33 -1.51 115.64 110.65 1uk4 s THR 175 Ca 0.02 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.53 1uk4 s THR 175 Cb -0.00 -2.52 0.12 0.00 1.34 0.00 0.00 72.50 71.44 1uk4 s THR 175 CO 0.01 0.00 0.98 1.51 -0.54 0.00 0.00 174.62 176.58 1uk4 s ASP 176 N -3.47 4.41 0.00 3.99 1.47 -0.81 -0.16 116.67 122.09 1uk4 s ASP 176 Ca 0.32 -0.38 0.00 0.00 1.18 0.00 0.00 52.55 53.67 1uk4 s ASP 176 Cb 0.05 -0.02 0.00 0.00 -0.34 0.00 0.00 42.92 42.61 1uk4 s ASP 176 CO 0.16 -1.82 0.52 0.18 0.68 0.00 0.00 175.17 174.89 1uk4 n LEU 177 N -2.79 1.38 0.00 2.11 7.99 -1.26 -1.14 117.00 123.29 1uk4 n LEU 177 Ca 0.15 -0.69 0.00 0.00 -0.01 0.00 0.00 56.01 55.46 1uk4 n LEU 177 Cb 0.61 -0.35 0.00 0.00 -0.11 0.00 0.00 43.42 43.56 1uk4 n LEU 177 CO 0.42 0.26 0.24 -0.62 -1.51 0.00 0.00 177.39 176.19 1uk4 n GLU 178 N 0.39 -0.61 -0.33 3.23 1.02 -1.26 -5.01 120.64 118.06 1uk4 n GLU 178 Ca 0.00 -0.52 0.00 0.00 -0.02 0.00 0.00 57.16 56.62 1uk4 n GLU 178 Cb 0.26 -0.95 0.00 0.00 -0.02 0.00 0.00 31.44 30.73 1uk4 n GLU 178 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uk4 n GLY 179 N -0.04 1.51 3.71 0.62 0.00 -0.29 -4.45 105.19 106.25 1uk4 n GLY 179 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1uk4 n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uk4 s LYS 180 N -0.30 4.43 0.67 1.61 1.02 -1.26 -1.93 119.74 123.98 1uk4 s LYS 180 Ca 0.00 1.00 -0.16 0.00 0.02 0.00 0.00 55.97 56.83 1uk4 s LYS 180 Cb 0.00 -3.47 0.01 0.00 -0.52 0.00 0.00 37.83 33.84 1uk4 s LYS 180 CO 0.00 -0.03 1.17 -0.06 -0.92 0.00 0.00 175.35 175.51 1uk4 s PHE 181 N 1.08 2.34 -0.22 3.18 0.40 -1.26 -1.93 117.98 121.56 1uk4 s PHE 181 Ca 0.40 1.57 -0.15 0.00 -0.60 0.00 0.00 56.93 58.15 1uk4 s PHE 181 Cb -0.18 -3.36 -0.04 0.00 0.51 0.00 0.00 43.02 39.95 1uk4 s PHE 181 CO 0.19 -2.16 0.34 0.71 0.70 0.00 0.00 175.22 175.00 1uk4 s TYR 182 N -2.03 3.34 0.00 0.36 2.02 -0.57 -4.90 117.35 115.57 1uk4 s TYR 182 Ca 0.72 0.50 0.00 0.00 -0.37 0.00 0.00 57.07 57.92 1uk4 s TYR 182 Cb -0.26 -2.48 0.00 0.00 -0.40 0.00 0.00 41.96 38.82 1uk4 s TYR 182 CO 0.41 -0.03 0.00 0.41 -1.57 0.00 0.00 175.55 174.76 1uk4 n GLY 183 N 4.14 -0.77 0.23 0.71 0.00 -1.26 -4.55 105.19 103.68 1uk4 n GLY 183 Ca -0.10 -1.71 0.01 0.00 0.00 0.00 0.00 46.02 44.22 1uk4 n GLY 183 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uk4 h PRO 184 N 0.00 0.26 -2.92 1.61 0.13 -1.93 -3.47 132.00 125.68 1uk4 h PRO 184 Ca 0.00 -0.07 -0.30 0.00 -0.87 0.00 0.00 66.00 64.75 1uk4 h PRO 184 Cb 0.00 -0.03 0.08 0.00 0.13 0.00 0.00 31.00 31.18 1uk4 h PRO 184 CO 0.00 0.45 -0.48 1.19 -0.23 0.00 0.00 178.00 178.93 1uk4 n PHE 185 N -4.21 -1.08 -4.23 1.56 3.72 -1.26 -5.01 117.46 106.94 1uk4 n PHE 185 Ca -0.01 0.29 -0.18 0.00 -0.05 0.00 0.00 57.45 57.50 1uk4 n PHE 185 Cb 0.32 -0.86 -0.11 0.00 -0.94 0.00 0.00 39.48 37.89 1uk4 n PHE 185 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1uk4 s VAL 186 N -0.84 1.31 -0.22 -4.37 -7.23 -1.26 -4.86 120.40 102.93 1uk4 s VAL 186 Ca 0.29 -1.64 -0.02 0.00 -1.81 0.00 0.00 61.98 58.80 1uk4 s VAL 186 Cb -0.30 -1.46 0.08 0.00 0.56 0.00 0.00 36.38 35.26 1uk4 s VAL 186 CO 0.31 -0.37 2.32 -0.90 -0.31 0.00 0.00 175.10 176.15 1uk4 n ASP 187 N 0.68 6.05 -3.15 4.85 5.75 -1.26 -4.84 116.55 124.63 1uk4 n ASP 187 Ca -0.17 -2.86 -0.14 0.00 -0.01 0.00 0.00 54.79 51.62 1uk4 n ASP 187 Cb 0.56 -1.15 -0.03 0.00 -1.03 0.00 0.00 41.12 39.48 1uk4 n ASP 187 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1uk4 n ARG 188 N 0.97 1.40 -3.53 0.11 1.74 -1.26 -4.95 116.66 111.13 1uk4 n ARG 188 Ca 0.27 -1.65 -0.41 0.00 -0.77 0.00 0.00 57.85 55.29 1uk4 n ARG 188 Cb 0.59 0.47 -0.07 0.00 -1.02 0.00 0.00 32.46 32.43 1uk4 n ARG 188 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1uk4 s GLN 189 N -2.81 2.76 0.00 5.56 2.00 -0.20 -4.96 119.66 122.00 1uk4 s GLN 189 Ca 0.01 -2.07 0.00 0.00 -2.00 0.00 0.00 55.36 51.30 1uk4 s GLN 189 Cb 0.00 -4.01 0.00 0.00 0.80 0.00 0.00 33.01 29.80 1uk4 s GLN 189 CO 0.01 -1.22 0.00 0.25 -0.50 0.00 0.00 175.29 173.83 1uk4 n THR 190 N 4.43 0.00 0.02 -0.34 -2.24 -1.26 -4.64 114.28 110.26 1uk4 n THR 190 Ca -0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 1uk4 n THR 190 Cb 0.41 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.55 1uk4 n THR 190 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uk4 h ALA 191 N 1.00 -0.13 0.00 6.98 0.00 -2.00 -3.49 119.26 121.62 1uk4 h ALA 191 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1uk4 h ALA 191 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1uk4 h ALA 191 CO 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 179.25 178.99 1uk4 n GLN 192 N -4.87 0.00 -4.12 0.00 10.64 -1.26 -5.00 117.38 112.77 1uk4 n GLN 192 Ca -0.08 0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 54.99 1uk4 n GLN 192 Cb 0.28 0.00 -0.10 0.00 -0.86 0.00 0.00 30.24 29.56 1uk4 n GLN 192 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1uk4 s ALA 193 N 0.00 0.72 0.23 2.61 0.00 -1.26 -4.74 121.76 119.32 1uk4 s ALA 193 Ca 0.00 -1.22 -0.30 0.00 0.00 0.00 0.00 51.96 50.44 1uk4 s ALA 193 Cb 0.00 0.19 -0.09 0.00 0.00 0.00 0.00 23.12 23.22 1uk4 s ALA 193 CO 0.00 -0.27 1.37 0.00 0.00 0.00 0.00 175.76 176.86 1uk4 s ALA 194 N -3.47 3.57 0.96 0.00 0.00 -1.26 -5.01 121.76 116.55 1uk4 s ALA 194 Ca 0.07 1.21 -0.12 0.00 0.00 0.00 0.00 51.96 53.12 1uk4 s ALA 194 Cb 0.05 -3.51 0.17 0.00 0.00 0.00 0.00 23.12 19.82 1uk4 s ALA 194 CO -0.06 -0.63 1.10 0.20 0.00 0.00 0.00 175.76 176.36 1uk4 s GLY 195 N 0.30 1.58 0.54 0.00 0.00 -1.26 -4.95 107.32 103.53 1uk4 s GLY 195 Ca 0.57 -0.33 -0.21 0.00 0.00 0.00 0.00 44.72 44.75 1uk4 s GLY 195 CO 0.41 0.24 1.25 -0.51 0.00 0.00 0.00 173.10 174.49 1uk4 s THR 196 N -3.02 2.56 0.20 0.90 -4.23 -1.26 -4.86 115.64 105.93 1uk4 s THR 196 Ca 0.65 0.39 0.04 0.00 -1.18 0.00 0.00 61.69 61.58 1uk4 s THR 196 Cb -0.18 -3.18 -0.03 0.00 1.34 0.00 0.00 72.50 70.45 1uk4 s THR 196 CO 0.57 -0.04 0.31 -0.62 -0.54 0.00 0.00 174.62 174.30 1uk4 s ASP 197 N -1.32 6.25 0.34 3.99 3.68 -1.26 -4.59 116.67 123.76 1uk4 s ASP 197 Ca 0.72 0.08 0.03 0.00 2.13 0.00 0.00 52.55 55.52 1uk4 s ASP 197 Cb -0.33 -1.84 -0.05 0.00 -1.45 0.00 0.00 42.92 39.25 1uk4 s ASP 197 CO 0.38 -0.01 0.09 0.42 0.13 0.00 0.00 175.17 176.17 1uk4 s THR 198 N -1.88 0.91 0.01 1.71 -4.23 -1.26 -5.04 115.64 105.86 1uk4 s THR 198 Ca 0.34 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.60 1uk4 s THR 198 Cb -0.10 -2.63 -0.05 0.00 1.34 0.00 0.00 72.50 71.06 1uk4 s THR 198 CO 0.28 0.00 0.76 -0.89 -0.54 0.00 0.00 174.62 174.23 1uk4 s THR 199 N -3.34 4.83 -1.09 3.99 2.01 -0.66 -4.74 115.64 116.64 1uk4 s THR 199 Ca 0.33 1.60 -0.22 0.00 0.31 0.00 0.00 61.69 63.71 1uk4 s THR 199 Cb 0.07 -4.11 -0.01 0.00 0.01 0.00 0.00 72.50 68.46 1uk4 s THR 199 CO 0.15 0.32 1.77 -0.63 -0.69 0.00 0.00 174.62 175.54 1uk4 s ILE 200 N 0.26 3.74 0.27 1.82 1.01 -1.26 -0.79 121.20 126.24 1uk4 s ILE 200 Ca 0.39 -0.96 -0.02 0.00 0.00 0.00 0.00 60.65 60.06 1uk4 s ILE 200 Cb -0.20 -4.68 0.29 0.00 0.01 0.00 0.00 42.46 37.88 1uk4 s ILE 200 CO 0.22 -1.45 1.65 0.74 0.00 0.00 0.00 174.94 176.10 1uk4 h THR 201 N 6.49 0.35 -0.38 2.92 2.02 -1.93 -1.51 112.91 120.86 1uk4 h THR 201 Ca 0.23 -0.06 0.06 0.00 0.77 0.00 0.00 66.41 67.42 1uk4 h THR 201 Cb 0.96 0.15 -0.06 0.00 -1.74 0.00 0.00 68.15 67.47 1uk4 h THR 201 CO 1.32 0.03 0.04 0.25 0.37 0.00 0.00 175.52 177.53 1uk4 h LEU 202 N 0.18 -0.08 -0.45 2.58 5.85 -1.90 -1.53 115.31 119.97 1uk4 h LEU 202 Ca 0.48 0.08 -0.10 0.00 0.84 0.00 0.00 57.88 59.18 1uk4 h LEU 202 Cb 0.91 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1uk4 h LEU 202 CO -0.64 -0.00 -0.12 0.78 -0.34 0.00 0.00 178.44 178.12 1uk4 h ASN 203 N 0.15 0.87 -0.65 1.25 2.35 -1.51 -1.63 115.58 116.41 1uk4 h ASN 203 Ca 0.18 -0.37 0.10 0.00 -0.55 0.00 0.00 56.30 55.67 1uk4 h ASN 203 Cb 0.24 -0.24 -0.08 0.00 0.05 0.00 0.00 38.32 38.29 1uk4 h ASN 203 CO -0.28 1.04 0.26 0.58 -1.65 0.00 0.00 177.43 177.38 1uk4 h VAL 204 N 0.70 0.76 -0.77 2.81 2.07 -1.15 0.22 116.25 120.88 1uk4 h VAL 204 Ca 0.11 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.48 1uk4 h VAL 204 Cb 0.66 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1uk4 h VAL 204 CO 0.05 0.08 0.50 -0.07 0.02 0.00 0.00 177.57 178.15 1uk4 h LEU 205 N 0.44 0.90 -1.09 2.57 3.38 -0.98 -1.51 115.31 119.02 1uk4 h LEU 205 Ca 0.34 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 1uk4 h LEU 205 Cb 0.43 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1uk4 h LEU 205 CO -0.32 0.66 0.34 0.00 0.09 0.00 0.00 178.44 179.21 1uk4 h ALA 206 N 1.28 1.29 -0.55 1.53 0.00 0.05 -2.21 119.26 120.64 1uk4 h ALA 206 Ca 0.28 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1uk4 h ALA 206 Cb -0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 1uk4 h ALA 206 CO -0.06 0.55 0.21 2.35 0.00 0.00 0.00 179.25 182.30 1uk4 h TRP 207 N 0.98 0.86 -0.48 0.00 7.01 0.04 -1.67 115.95 122.68 1uk4 h TRP 207 Ca 0.24 -0.07 -0.02 0.00 2.11 0.00 0.00 58.89 61.15 1uk4 h TRP 207 Cb 0.09 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 26.87 1uk4 h TRP 207 CO 0.01 0.71 0.23 -0.07 -2.79 0.00 0.00 178.44 176.53 1uk4 h LEU 208 N 0.76 0.63 -0.86 0.65 3.38 -0.80 0.44 115.31 119.50 1uk4 h LEU 208 Ca 0.18 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.09 1uk4 h LEU 208 Cb 0.23 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 1uk4 h LEU 208 CO -0.01 0.58 0.53 1.88 0.09 0.00 0.00 178.44 181.51 1uk4 h TYR 209 N 0.63 0.99 -0.42 1.13 0.05 -1.14 0.21 116.97 118.41 1uk4 h TYR 209 Ca 0.17 0.03 0.04 0.00 0.05 0.00 0.00 58.73 59.01 1uk4 h TYR 209 Cb 0.12 -0.32 -0.04 0.00 1.01 0.00 0.00 36.73 37.50 1uk4 h TYR 209 CO -0.01 0.50 0.19 0.00 -1.05 0.00 0.00 178.16 177.79 1uk4 h ALA 210 N 1.41 0.52 -0.05 3.88 0.00 -0.37 0.40 119.26 125.06 1uk4 h ALA 210 Ca 0.38 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.33 1uk4 h ALA 210 Cb 0.18 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1uk4 h ALA 210 CO -0.18 -0.17 -0.07 0.00 0.00 0.00 0.00 179.25 178.83 1uk4 h ALA 211 N 1.24 -0.04 -0.85 0.00 0.00 0.12 -0.52 119.26 119.22 1uk4 h ALA 211 Ca 0.19 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1uk4 h ALA 211 Cb 0.12 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1uk4 h ALA 211 CO -0.15 -0.55 0.56 0.28 0.00 0.00 0.00 179.25 179.39 1uk4 h VAL 212 N -0.10 1.19 -0.76 0.00 2.07 0.00 0.15 116.25 118.80 1uk4 h VAL 212 Ca 0.05 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1uk4 h VAL 212 Cb 0.17 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 29.88 1uk4 h VAL 212 CO -0.11 0.20 0.35 0.40 0.02 0.00 0.00 177.57 178.43 1uk4 h ILE 213 N 1.11 1.24 -0.13 4.57 2.04 0.91 -2.20 117.51 125.06 1uk4 h ILE 213 Ca 0.32 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1uk4 h ILE 213 Cb -0.08 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 1uk4 h ILE 213 CO -0.08 0.30 0.00 0.59 0.00 0.00 0.00 178.15 178.96 1uk4 n ASN 214 N -4.31 1.03 0.00 1.72 3.02 -0.31 -4.90 115.26 111.51 1uk4 n ASN 214 Ca 0.07 -1.71 0.00 0.00 -0.03 0.00 0.00 54.58 52.91 1uk4 n ASN 214 Cb 0.15 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 1uk4 n ASN 214 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uk4 n GLY 215 N 0.94 0.71 3.35 7.41 0.00 -0.83 -5.04 105.19 111.73 1uk4 n GLY 215 Ca 0.13 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.69 1uk4 n GLY 215 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uk4 s ASP 216 N -2.59 6.38 -0.05 1.61 -1.08 0.48 -4.87 116.67 116.55 1uk4 s ASP 216 Ca 0.00 -1.94 0.11 0.00 -0.52 0.00 0.00 52.55 50.20 1uk4 s ASP 216 Cb 0.00 -2.25 0.20 0.00 -1.46 0.00 0.00 42.92 39.40 1uk4 s ASP 216 CO 0.00 -0.88 1.09 -2.11 0.52 0.00 0.00 175.17 173.79 1uk4 n ARG 217 N 5.36 0.47 -0.22 4.34 1.85 -1.26 -2.72 116.66 124.47 1uk4 n ARG 217 Ca -0.02 -1.81 -0.02 0.00 -1.00 0.00 0.00 57.85 55.00 1uk4 n ARG 217 Cb 0.43 -0.76 0.18 0.00 -1.05 0.00 0.00 32.46 31.27 1uk4 n ARG 217 CO 0.00 0.00 0.00 0.11 -0.01 0.00 0.00 177.63 177.73 1uk4 h TRP 218 N 0.29 1.00 0.00 2.89 5.08 -1.97 -2.69 115.95 120.55 1uk4 h TRP 218 Ca -0.04 -0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.90 1uk4 h TRP 218 Cb 1.36 -0.32 0.00 0.00 -3.00 0.00 0.00 29.16 27.20 1uk4 h TRP 218 CO 0.16 0.71 0.00 1.97 -1.28 0.00 0.00 178.44 180.00 1uk4 n PHE 219 N -4.35 0.26 -1.57 0.12 1.16 -1.26 -4.78 117.46 107.04 1uk4 n PHE 219 Ca 0.07 0.13 -0.32 0.00 -1.87 0.00 0.00 57.45 55.45 1uk4 n PHE 219 Cb 0.12 -0.70 0.06 0.00 -1.61 0.00 0.00 39.48 37.35 1uk4 n PHE 219 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1uk4 s LEU 220 N -3.52 3.26 0.33 5.98 1.43 -1.02 -4.75 118.68 120.40 1uk4 s LEU 220 Ca 0.01 1.95 0.07 0.00 -1.03 0.00 0.00 54.13 55.12 1uk4 s LEU 220 Cb 0.04 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.69 1uk4 s LEU 220 CO 0.12 -1.79 0.29 0.54 0.23 0.00 0.00 176.35 175.74 1uk4 s ASN 221 N -2.84 1.64 0.00 2.29 2.20 -1.26 -5.06 114.94 111.91 1uk4 s ASN 221 Ca 0.65 -1.75 0.27 0.00 -0.94 0.00 0.00 52.86 51.09 1uk4 s ASN 221 Cb -0.20 0.56 0.89 0.00 -2.00 0.00 0.00 41.25 40.51 1uk4 s ASN 221 CO 0.47 -1.08 1.68 -1.14 -2.94 0.00 0.00 177.10 174.08 1uk4 n ARG 222 N -0.62 0.11 -1.91 3.55 0.63 -1.26 -4.95 116.66 112.21 1uk4 n ARG 222 Ca 0.07 -0.04 -0.07 0.00 -0.92 0.00 0.00 57.85 56.89 1uk4 n ARG 222 Cb 0.62 -1.50 0.01 0.00 0.45 0.00 0.00 32.46 32.04 1uk4 n ARG 222 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1uk4 n PHE 223 N -1.41 -1.99 -3.96 -0.14 3.01 -1.26 -5.15 117.46 106.56 1uk4 n PHE 223 Ca 0.07 -0.68 -0.09 0.00 1.01 0.00 0.00 57.45 57.77 1uk4 n PHE 223 Cb 0.33 -0.15 -0.03 0.00 -0.01 0.00 0.00 39.48 39.62 1uk4 n PHE 223 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1uk4 n THR 224 N -1.13 0.00 -3.98 4.37 5.66 -1.26 -4.74 114.28 113.20 1uk4 n THR 224 Ca 0.02 -1.11 -0.09 0.00 -3.05 0.00 0.00 64.05 59.82 1uk4 n THR 224 Cb 0.19 0.63 -0.05 0.00 -1.55 0.00 0.00 70.33 69.54 1uk4 n THR 224 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1uk4 s THR 225 N -2.68 0.01 0.09 1.09 -1.32 -1.18 -4.82 115.64 106.82 1uk4 s THR 225 Ca 0.18 -1.37 -0.06 0.00 -1.21 0.00 0.00 61.69 59.23 1uk4 s THR 225 Cb 0.00 -2.13 -0.05 0.00 -1.51 0.00 0.00 72.50 68.80 1uk4 s THR 225 CO 0.13 -0.03 0.35 0.28 -2.21 0.00 0.00 174.62 173.14 1uk4 s THR 226 N -4.01 5.18 0.33 5.08 -1.32 -1.26 -4.88 115.64 114.77 1uk4 s THR 226 Ca 0.21 0.17 0.05 0.00 -1.21 0.00 0.00 61.69 60.91 1uk4 s THR 226 Cb -0.00 -3.62 0.30 0.00 -1.51 0.00 0.00 72.50 67.67 1uk4 s THR 226 CO 0.08 0.19 1.87 0.25 -2.21 0.00 0.00 174.62 174.79 1uk4 h LEU 227 N 3.35 0.77 -0.39 9.08 6.46 -1.99 0.11 115.31 132.70 1uk4 h LEU 227 Ca -0.48 0.03 -0.08 0.00 -0.12 0.00 0.00 57.88 57.23 1uk4 h LEU 227 Cb 1.18 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.98 1uk4 h LEU 227 CO 0.69 0.42 -0.09 -1.13 -0.62 0.00 0.00 178.44 177.72 1uk4 h ASN 228 N 0.84 0.75 0.09 1.25 -1.24 -1.96 -2.32 115.58 112.98 1uk4 h ASN 228 Ca 0.44 -0.36 -0.09 0.00 0.71 0.00 0.00 56.30 57.01 1uk4 h ASN 228 Cb 0.54 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.37 1uk4 h ASN 228 CO -0.21 0.94 -0.29 0.44 -1.29 0.00 0.00 177.43 177.02 1uk4 h ASP 229 N 0.56 0.31 -0.30 1.15 3.45 -1.62 -2.23 116.42 117.74 1uk4 h ASP 229 Ca 0.10 -0.10 -0.15 0.00 0.43 0.00 0.00 57.03 57.31 1uk4 h ASP 229 Cb 0.60 -0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 39.29 1uk4 h ASP 229 CO 0.04 0.59 -0.38 0.15 -1.57 0.00 0.00 179.24 178.07 1uk4 h PHE 230 N 0.27 0.96 -0.48 4.55 3.57 -0.91 -2.86 116.94 122.05 1uk4 h PHE 230 Ca 0.04 -0.31 -0.07 0.00 3.53 0.00 0.00 57.97 61.16 1uk4 h PHE 230 Cb 0.65 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 1uk4 h PHE 230 CO 0.01 1.10 0.00 -0.91 -2.23 0.00 0.00 178.31 176.28 1uk4 h ASN 231 N 0.55 0.76 -0.50 0.41 2.35 -1.26 0.26 115.58 118.15 1uk4 h ASN 231 Ca 0.04 -0.18 0.02 0.00 -0.55 0.00 0.00 56.30 55.63 1uk4 h ASN 231 Cb 0.97 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 39.11 1uk4 h ASN 231 CO 0.09 0.82 0.31 -0.07 -1.65 0.00 0.00 177.43 176.93 1uk4 h LEU 232 N 0.74 0.51 0.31 1.61 3.38 -1.34 0.98 115.31 121.50 1uk4 h LEU 232 Ca 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1uk4 h LEU 232 Cb 0.45 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1uk4 h LEU 232 CO 0.02 0.36 -0.15 0.58 0.09 0.00 0.00 178.44 179.34 1uk4 h VAL 233 N 0.62 0.51 -0.60 1.22 2.07 -1.25 -3.29 116.25 115.53 1uk4 h VAL 233 Ca 0.20 -0.78 0.12 0.00 0.82 0.00 0.00 66.70 67.06 1uk4 h VAL 233 Cb -0.00 0.81 -0.11 0.00 -1.52 0.00 0.00 31.29 30.46 1uk4 h VAL 233 CO -0.08 0.11 -0.17 0.00 0.02 0.00 0.00 177.57 177.46 1uk4 h ALA 234 N -0.59 0.36 -0.05 1.67 0.00 -0.42 -0.20 119.26 120.03 1uk4 h ALA 234 Ca -0.04 0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1uk4 h ALA 234 Cb 0.51 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1uk4 h ALA 234 CO 0.07 -0.45 0.11 0.52 0.00 0.00 0.00 179.25 179.50 1uk4 h MET 235 N -0.02 0.00 -0.07 0.00 2.07 -0.91 -0.26 114.93 115.74 1uk4 h MET 235 Ca 0.28 0.00 -0.03 0.00 -2.07 0.00 0.00 59.70 57.89 1uk4 h MET 235 Cb 0.45 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.18 1uk4 h MET 235 CO -0.63 0.00 -0.06 0.87 1.07 0.00 0.00 176.91 178.16 1uk4 h LYS 236 N 0.00 0.17 -0.95 1.72 1.79 -1.09 -2.84 116.57 115.37 1uk4 h LYS 236 Ca 0.03 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1uk4 h LYS 236 Cb 0.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1uk4 h LYS 236 CO -0.00 0.60 0.00 0.66 -1.08 0.00 0.00 179.45 179.63 1uk4 n TYR 237 N -4.72 0.00 -3.63 -1.35 4.02 -0.23 -4.83 117.16 106.43 1uk4 n TYR 237 Ca -0.07 -0.04 -0.24 0.00 -0.01 0.00 0.00 57.90 57.54 1uk4 n TYR 237 Cb 0.30 -0.11 0.07 0.00 -0.02 0.00 0.00 39.34 39.58 1uk4 n TYR 237 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1uk4 n ASN 238 N 0.08 -5.12 -4.90 7.72 5.15 -1.03 -4.88 115.26 112.28 1uk4 n ASN 238 Ca 0.00 -0.61 -0.33 0.00 -0.60 0.00 0.00 54.58 53.04 1uk4 n ASN 238 Cb 0.25 -4.81 -0.05 0.00 -0.53 0.00 0.00 39.78 34.64 1uk4 n ASN 238 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1uk4 s TYR 239 N -3.34 3.55 0.43 1.20 1.51 -0.48 -1.66 117.35 118.56 1uk4 s TYR 239 Ca 0.47 0.43 -0.26 0.00 -1.01 0.00 0.00 57.07 56.71 1uk4 s TYR 239 Cb -0.21 -1.89 -0.09 0.00 -0.11 0.00 0.00 41.96 39.66 1uk4 s TYR 239 CO 0.75 0.61 1.39 0.39 -1.11 0.00 0.00 175.55 177.58 1uk4 n GLU 240 N 0.83 2.19 -2.10 -0.62 -0.58 0.03 -4.17 120.64 116.22 1uk4 n GLU 240 Ca -0.09 0.78 -0.39 0.00 -0.42 0.00 0.00 57.16 57.03 1uk4 n GLU 240 Cb 0.52 -2.55 -0.01 0.00 -0.57 0.00 0.00 31.44 28.83 1uk4 n GLU 240 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 1uk4 s PRO 241 N -2.34 4.05 0.14 3.49 0.02 -1.26 -4.55 135.00 134.55 1uk4 s PRO 241 Ca 0.60 2.12 -0.18 0.00 0.02 0.00 0.00 61.00 63.56 1uk4 s PRO 241 Cb -0.47 -2.80 -0.07 0.00 0.02 0.00 0.00 34.50 31.17 1uk4 s PRO 241 CO 0.58 -0.41 0.62 -1.17 -0.33 0.00 0.00 177.00 176.29 1uk4 s LEU 242 N -2.32 4.43 0.26 -5.54 2.96 -1.26 -4.97 118.68 112.25 1uk4 s LEU 242 Ca 0.55 1.28 0.11 0.00 -0.22 0.00 0.00 54.13 55.85 1uk4 s LEU 242 Cb -0.37 -3.21 -0.05 0.00 0.50 0.00 0.00 46.19 43.06 1uk4 s LEU 242 CO 0.48 0.16 -0.19 0.42 -1.32 0.00 0.00 176.35 175.90 1uk4 s THR 243 N -1.32 2.30 0.25 3.68 -4.23 -1.26 -4.99 115.64 110.07 1uk4 s THR 243 Ca 0.36 -2.35 -0.03 0.00 -1.18 0.00 0.00 61.69 58.49 1uk4 s THR 243 Cb -0.18 -2.23 0.22 0.00 1.34 0.00 0.00 72.50 71.65 1uk4 s THR 243 CO 0.20 -0.44 1.78 -0.61 -0.54 0.00 0.00 174.62 175.01 1uk4 h GLN 244 N 2.38 0.63 -0.33 3.99 5.75 -1.99 0.32 115.11 125.86 1uk4 h GLN 244 Ca -0.40 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.08 1uk4 h GLN 244 Cb 1.25 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.64 1uk4 h GLN 244 CO 0.60 0.42 0.22 0.22 -2.65 0.00 0.00 178.83 177.64 1uk4 h ASP 245 N 0.65 0.34 -0.07 -0.69 -0.00 -2.00 -1.98 116.42 112.67 1uk4 h ASP 245 Ca 0.42 -0.01 -0.05 0.00 -0.00 0.00 0.00 57.03 57.39 1uk4 h ASP 245 Cb 0.52 -0.08 0.00 0.00 -0.00 0.00 0.00 39.33 39.76 1uk4 h ASP 245 CO -0.32 0.24 -0.15 0.45 -0.00 0.00 0.00 179.24 179.47 1uk4 h HIS 246 N 0.40 0.28 -0.87 0.28 3.86 -0.81 -2.97 115.15 115.32 1uk4 h HIS 246 Ca 0.13 -0.10 0.17 0.00 -1.16 0.00 0.00 60.37 59.41 1uk4 h HIS 246 Cb 0.03 -0.05 -0.10 0.00 1.06 0.00 0.00 27.41 28.34 1uk4 h HIS 246 CO -0.00 0.75 0.43 0.28 0.86 0.00 0.00 177.93 180.25 1uk4 h VAL 247 N -0.26 0.64 0.00 2.45 2.07 -0.61 0.28 116.25 120.81 1uk4 h VAL 247 Ca 0.00 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 1uk4 h VAL 247 Cb 0.74 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1uk4 h VAL 247 CO 0.03 0.10 -0.26 0.44 0.02 0.00 0.00 177.57 177.90 1uk4 h ASP 248 N 0.56 0.00 0.50 0.57 3.45 -1.37 -1.92 116.42 118.21 1uk4 h ASP 248 Ca 0.50 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.86 1uk4 h ASP 248 Cb 0.80 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.56 1uk4 h ASP 248 CO -0.42 0.26 -0.47 0.40 -1.57 0.00 0.00 179.24 177.45 1uk4 h ILE 249 N 0.00 1.30 0.00 0.35 2.04 -0.30 -2.49 117.51 118.41 1uk4 h ILE 249 Ca -0.00 -1.62 0.00 0.00 1.00 0.00 0.00 64.86 64.24 1uk4 h ILE 249 Cb 0.53 1.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 1uk4 h ILE 249 CO 0.03 0.46 0.00 0.18 0.00 0.00 0.00 178.15 178.82 1uk4 n LEU 250 N -3.93 0.00 -0.18 1.44 4.77 -0.73 -4.35 117.00 114.02 1uk4 n LEU 250 Ca -0.01 0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.86 1uk4 n LEU 250 Cb 0.49 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 1uk4 n LEU 250 CO 0.40 -0.00 0.50 1.23 -1.33 0.00 0.00 177.39 178.19 1uk4 h GLY 251 N 4.72 -0.93 0.42 -0.72 0.00 -1.42 -0.56 103.07 104.59 1uk4 h GLY 251 Ca 0.00 0.71 0.04 0.00 0.00 0.00 0.00 47.33 48.08 1uk4 h GLY 251 CO 0.00 -0.10 -0.22 -2.55 0.00 0.00 0.00 176.54 173.67 1uk4 h PRO 252 N -0.33 -0.30 -0.71 4.80 0.11 -1.84 0.41 132.00 134.12 1uk4 h PRO 252 Ca 0.10 0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.26 1uk4 h PRO 252 Cb 0.57 0.07 -0.05 0.00 0.11 0.00 0.00 31.00 31.71 1uk4 h PRO 252 CO -0.65 -0.20 0.45 -0.07 -0.21 0.00 0.00 178.00 177.32 1uk4 h LEU 253 N -0.32 0.73 -0.88 2.35 3.38 -1.82 0.38 115.31 119.14 1uk4 h LEU 253 Ca 0.08 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1uk4 h LEU 253 Cb 0.42 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1uk4 h LEU 253 CO -0.24 0.50 0.58 -1.28 0.09 0.00 0.00 178.44 178.10 1uk4 h SER 254 N 0.87 1.00 -0.50 -0.43 0.87 -0.62 -0.22 113.55 114.52 1uk4 h SER 254 Ca 0.29 -0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.71 1uk4 h SER 254 Cb 0.03 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 1uk4 h SER 254 CO -0.11 0.72 -0.15 0.00 -0.53 0.00 0.00 176.83 176.75 1uk4 h ALA 255 N 1.33 0.70 -0.48 6.23 0.00 0.10 0.58 119.26 127.72 1uk4 h ALA 255 Ca 0.33 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1uk4 h ALA 255 Cb -0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1uk4 h ALA 255 CO -0.08 0.64 0.26 0.37 0.00 0.00 0.00 179.25 180.45 1uk4 h GLN 256 N 0.86 0.67 0.00 0.00 4.15 0.34 -3.16 115.11 117.96 1uk4 h GLN 256 Ca 0.12 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1uk4 h GLN 256 Cb 0.73 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.29 1uk4 h GLN 256 CO 0.06 0.53 -0.83 0.25 -1.93 0.00 0.00 178.83 176.90 1uk4 n THR 257 N -4.67 0.31 -1.22 2.39 -2.24 -0.15 -4.95 114.28 103.75 1uk4 n THR 257 Ca 0.02 -0.29 -0.07 0.00 -2.27 0.00 0.00 64.05 61.43 1uk4 n THR 257 Cb 0.08 -0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.26 1uk4 n THR 257 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uk4 n GLY 258 N 1.33 0.94 3.25 3.38 0.00 0.20 -4.98 105.19 109.31 1uk4 n GLY 258 Ca 0.02 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 1uk4 n GLY 258 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uk4 s ILE 259 N -2.20 3.39 0.34 -0.61 1.01 -1.03 -5.03 121.20 117.07 1uk4 s ILE 259 Ca 0.00 -1.00 -0.29 0.00 0.00 0.00 0.00 60.65 59.37 1uk4 s ILE 259 Cb 0.00 -2.81 -0.11 0.00 0.01 0.00 0.00 42.46 39.56 1uk4 s ILE 259 CO 0.00 0.05 1.50 0.00 0.00 0.00 0.00 174.94 176.48 1uk4 s ALA 260 N 1.38 3.62 0.29 9.38 0.00 -1.26 -4.52 121.76 130.65 1uk4 s ALA 260 Ca -0.00 1.53 0.03 0.00 0.00 0.00 0.00 51.96 53.52 1uk4 s ALA 260 Cb -0.18 -3.61 0.74 0.00 0.00 0.00 0.00 23.12 20.08 1uk4 s ALA 260 CO -0.00 -0.98 1.65 0.28 0.00 0.00 0.00 175.76 176.71 1uk4 h VAL 261 N 3.14 0.33 0.00 0.00 2.07 -1.93 0.40 116.25 120.27 1uk4 h VAL 261 Ca -0.49 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1uk4 h VAL 261 Cb 1.23 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1uk4 h VAL 261 CO 0.70 0.04 0.00 -0.07 0.02 0.00 0.00 177.57 178.26 1uk4 h LEU 262 N 0.23 0.00 -0.03 2.57 3.38 -1.90 0.19 115.31 119.75 1uk4 h LEU 262 Ca 0.57 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.30 1uk4 h LEU 262 Cb 1.15 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.92 1uk4 h LEU 262 CO -0.64 0.00 -0.89 0.44 0.09 0.00 0.00 178.44 177.44 1uk4 h ASP 263 N 0.00 0.83 -0.61 -0.43 5.19 -0.52 -1.88 116.42 119.00 1uk4 h ASP 263 Ca 0.00 -0.72 -0.09 0.00 -0.62 0.00 0.00 57.03 55.59 1uk4 h ASP 263 Cb 0.67 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.90 1uk4 h ASP 263 CO 0.00 1.44 0.02 -0.03 -3.12 0.00 0.00 179.24 177.54 1uk4 h MET 264 N 0.30 1.08 -0.70 3.56 4.05 -0.96 -1.72 114.93 120.55 1uk4 h MET 264 Ca -0.10 -0.33 0.03 0.00 -0.28 0.00 0.00 59.70 59.01 1uk4 h MET 264 Cb 1.55 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 32.20 1uk4 h MET 264 CO 0.18 1.04 0.44 0.00 0.23 0.00 0.00 176.91 178.79 1uk4 h ALA 266 N 1.29 1.54 -0.31 0.00 0.00 -0.67 0.37 119.26 121.49 1uk4 h ALA 266 Ca 0.28 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.01 1uk4 h ALA 266 Cb 0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1uk4 h ALA 266 CO -0.10 0.27 -0.49 0.00 0.00 0.00 0.00 179.25 178.93 1uk4 h ALA 267 N 1.52 0.54 -0.44 0.00 0.00 -0.13 -2.91 119.26 117.84 1uk4 h ALA 267 Ca 0.43 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1uk4 h ALA 267 Cb 0.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1uk4 h ALA 267 CO -0.19 0.68 -0.19 1.25 0.00 0.00 0.00 179.25 180.80 1uk4 h LEU 268 N 0.67 0.89 -0.62 0.00 5.85 0.12 -0.29 115.31 121.92 1uk4 h LEU 268 Ca 0.03 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.47 1uk4 h LEU 268 Cb 1.08 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 1uk4 h LEU 268 CO 0.11 1.06 0.37 0.50 -0.34 0.00 0.00 178.44 180.14 1uk4 h LYS 269 N 0.77 0.70 -0.36 1.25 3.64 -0.32 0.20 116.57 122.44 1uk4 h LYS 269 Ca 0.11 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.32 1uk4 h LYS 269 Cb 0.73 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1uk4 h LYS 269 CO 0.06 0.46 -0.26 1.49 -2.27 0.00 0.00 179.45 178.93 1uk4 h GLU 270 N 0.72 0.82 -0.32 1.90 4.81 -1.29 -1.93 114.58 119.29 1uk4 h GLU 270 Ca 0.26 -0.40 0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1uk4 h GLU 270 Cb 0.05 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1uk4 h GLU 270 CO -0.12 1.03 0.22 -0.07 -0.73 0.00 0.00 179.01 179.34 1uk4 h LEU 271 N 0.61 0.29 -0.05 1.64 3.38 -0.40 -1.45 115.31 119.33 1uk4 h LEU 271 Ca 0.07 -0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.80 1uk4 h LEU 271 Cb 0.83 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1uk4 h LEU 271 CO 0.07 0.20 -1.06 -0.07 0.09 0.00 0.00 178.44 177.67 1uk4 h LEU 272 N 0.34 0.35 0.00 1.67 3.38 -0.66 -1.75 115.31 118.64 1uk4 h LEU 272 Ca 0.13 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1uk4 h LEU 272 Cb 0.11 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1uk4 h LEU 272 CO -0.03 1.20 -0.55 0.00 0.09 0.00 0.00 178.44 179.15 1uk4 n GLN 273 N -3.59 0.22 0.00 1.13 6.02 -0.75 -4.28 117.38 116.13 1uk4 n GLN 273 Ca -0.06 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 1uk4 n GLN 273 Cb 0.92 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 30.54 1uk4 n GLN 273 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1uk4 n ASN 274 N -1.96 0.15 -0.48 1.08 3.02 -0.58 -5.09 115.26 111.39 1uk4 n ASN 274 Ca 0.04 -0.52 0.04 0.00 -0.03 0.00 0.00 54.58 54.11 1uk4 n ASN 274 Cb 0.41 0.69 -0.01 0.00 -0.61 0.00 0.00 39.78 40.27 1uk4 n ASN 274 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uk4 n GLY 275 N 0.69 -1.91 0.14 7.41 0.00 -0.66 -4.35 105.19 106.51 1uk4 n GLY 275 Ca 0.00 -1.33 0.12 0.00 0.00 0.00 0.00 46.02 44.80 1uk4 n GLY 275 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1uk4 n MET 276 N -1.58 0.41 -3.46 1.61 2.81 -1.26 -4.78 117.12 110.87 1uk4 n MET 276 Ca 0.00 -0.28 -0.18 0.00 -1.81 0.00 0.00 57.70 55.43 1uk4 n MET 276 Cb 0.14 -1.49 0.07 0.00 -0.71 0.00 0.00 33.22 31.23 1uk4 n MET 276 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1uk4 n ASN 277 N -1.05 -2.81 0.00 7.83 5.03 -1.26 -2.32 115.26 120.69 1uk4 n ASN 277 Ca 0.08 -0.69 0.00 0.00 0.87 0.00 0.00 54.58 54.84 1uk4 n ASN 277 Cb 0.36 -4.87 0.00 0.00 -1.02 0.00 0.00 39.78 34.24 1uk4 n ASN 277 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1uk4 n GLY 278 N -1.25 1.74 2.72 7.41 0.00 -1.26 -4.96 105.19 109.57 1uk4 n GLY 278 Ca -0.25 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 1uk4 n GLY 278 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uk4 n ARG 279 N -1.46 -3.92 -4.01 1.61 1.74 -0.98 -5.08 116.66 104.56 1uk4 n ARG 279 Ca 0.00 -1.28 -0.08 0.00 -0.77 0.00 0.00 57.85 55.71 1uk4 n ARG 279 Cb 0.00 -1.51 -0.09 0.00 -1.02 0.00 0.00 32.46 29.84 1uk4 n ARG 279 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1uk4 s THR 280 N -2.14 0.17 -0.18 0.55 -4.23 -1.26 -4.82 115.64 103.73 1uk4 s THR 280 Ca 0.57 -1.57 -0.01 0.00 -1.18 0.00 0.00 61.69 59.49 1uk4 s THR 280 Cb -0.09 -1.54 0.05 0.00 1.34 0.00 0.00 72.50 72.26 1uk4 s THR 280 CO 0.46 -0.77 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.12 1uk4 s ILE 281 N -3.92 0.95 -1.82 2.99 1.01 -0.81 -4.70 121.20 114.90 1uk4 s ILE 281 Ca 0.09 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.08 1uk4 s ILE 281 Cb 0.07 -1.24 0.00 0.00 0.01 0.00 0.00 42.46 41.29 1uk4 s ILE 281 CO -0.08 -0.01 0.00 0.18 0.00 0.00 0.00 174.94 175.03 1uk4 n LEU 282 N 4.91 -1.61 0.00 2.97 4.77 -1.26 -2.97 117.00 123.81 1uk4 n LEU 282 Ca -0.11 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1uk4 n LEU 282 Cb 0.47 -2.74 0.00 0.00 -2.33 0.00 0.00 43.42 38.82 1uk4 n LEU 282 CO 0.15 -0.56 0.00 0.61 -1.33 0.00 0.00 177.39 176.26 1uk4 n GLY 283 N -0.70 1.91 2.92 -0.72 0.00 -1.26 -4.28 105.19 103.06 1uk4 n GLY 283 Ca -0.21 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 1uk4 n GLY 283 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uk4 n SER 284 N 3.33 -2.57 -0.84 1.61 2.88 -1.16 -4.76 113.62 112.11 1uk4 n SER 284 Ca 0.00 0.71 0.10 0.00 -1.33 0.00 0.00 58.87 58.36 1uk4 n SER 284 Cb 0.00 -0.78 0.09 0.00 -0.75 0.00 0.00 64.21 62.77 1uk4 n SER 284 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1uk4 n THR 285 N -0.92 0.00 -4.42 2.46 -2.24 -1.26 -1.93 114.28 105.97 1uk4 n THR 285 Ca 0.10 -0.50 -0.21 0.00 -2.27 0.00 0.00 64.05 61.16 1uk4 n THR 285 Cb 0.36 1.43 -0.10 0.00 -2.10 0.00 0.00 70.33 69.92 1uk4 n THR 285 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1uk4 s ILE 286 N -1.75 1.84 -0.40 2.28 -4.36 -1.26 -4.92 121.20 112.63 1uk4 s ILE 286 Ca 0.25 -2.19 -0.28 0.00 -0.26 0.00 0.00 60.65 58.17 1uk4 s ILE 286 Cb 0.18 -2.35 0.02 0.00 1.25 0.00 0.00 42.46 41.56 1uk4 s ILE 286 CO 0.26 -0.38 1.03 -0.76 0.24 0.00 0.00 174.94 175.34 1uk4 s LEU 287 N -3.44 3.86 0.09 0.37 1.43 -1.26 -4.92 118.68 114.82 1uk4 s LEU 287 Ca 0.28 0.63 -0.31 0.00 -1.03 0.00 0.00 54.13 53.70 1uk4 s LEU 287 Cb 0.01 -3.42 -0.06 0.00 0.03 0.00 0.00 46.19 42.75 1uk4 s LEU 287 CO 0.11 -1.01 1.22 -1.61 0.23 0.00 0.00 176.35 175.29 1uk4 s GLU 288 N 3.87 4.44 -0.15 1.70 0.41 -1.26 -4.96 118.70 122.74 1uk4 s GLU 288 Ca 0.43 1.82 0.15 0.00 -0.41 0.00 0.00 54.97 56.96 1uk4 s GLU 288 Cb -0.10 -3.31 0.38 0.00 -1.78 0.00 0.00 34.13 29.32 1uk4 s GLU 288 CO 0.23 -0.23 1.19 -0.40 -0.49 0.00 0.00 175.26 175.55 1uk4 n ASP 289 N 3.62 1.58 -0.44 -0.19 3.85 -1.26 -3.62 116.55 120.09 1uk4 n ASP 289 Ca 0.08 -3.33 0.07 0.00 -0.71 0.00 0.00 54.79 50.91 1uk4 n ASP 289 Cb 0.46 -0.45 0.17 0.00 -1.35 0.00 0.00 41.12 39.94 1uk4 n ASP 289 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1uk4 n GLU 290 N -0.80 1.37 -4.05 0.11 1.02 -1.26 -4.61 120.64 112.42 1uk4 n GLU 290 Ca 0.15 -2.93 -0.32 0.00 -0.02 0.00 0.00 57.16 54.05 1uk4 n GLU 290 Cb 0.77 -1.48 -0.16 0.00 -0.02 0.00 0.00 31.44 30.55 1uk4 n GLU 290 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1uk4 s PHE 291 N -2.89 2.71 0.78 -0.32 0.40 -1.26 -4.85 117.98 112.54 1uk4 s PHE 291 Ca 0.35 -1.75 -0.12 0.00 -0.60 0.00 0.00 56.93 54.81 1uk4 s PHE 291 Cb 0.33 -1.79 0.06 0.00 0.51 0.00 0.00 43.02 42.13 1uk4 s PHE 291 CO -0.04 -0.79 1.12 0.95 0.70 0.00 0.00 175.22 177.17 1uk4 s THR 292 N 1.30 2.82 0.36 0.64 -4.23 -1.26 -4.46 115.64 110.82 1uk4 s THR 292 Ca -0.01 0.27 0.07 0.00 -1.18 0.00 0.00 61.69 60.84 1uk4 s THR 292 Cb -0.16 -3.17 0.31 0.00 1.34 0.00 0.00 72.50 70.81 1uk4 s THR 292 CO -0.09 -0.35 1.92 -0.65 -0.54 0.00 0.00 174.62 174.91 1uk4 h PRO 293 N -0.97 0.71 -0.32 3.99 0.11 -1.91 -2.08 132.00 131.54 1uk4 h PRO 293 Ca -0.46 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1uk4 h PRO 293 Cb 1.29 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1uk4 h PRO 293 CO 0.63 0.47 0.02 0.74 -0.21 0.00 0.00 178.00 179.65 1uk4 h PHE 294 N 0.74 0.59 -0.90 0.65 -1.00 -1.95 -2.43 116.94 112.64 1uk4 h PHE 294 Ca 0.36 -0.10 0.09 0.00 2.81 0.00 0.00 57.97 61.14 1uk4 h PHE 294 Cb 0.44 -0.16 -0.06 0.00 3.61 0.00 0.00 35.95 39.77 1uk4 h PHE 294 CO -0.00 0.66 0.58 -0.44 -1.61 0.00 0.00 178.31 177.50 1uk4 h ASP 295 N 0.36 0.83 -0.27 2.17 3.32 -1.75 0.42 116.42 121.49 1uk4 h ASP 295 Ca 0.09 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1uk4 h ASP 295 Cb 0.41 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1uk4 h ASP 295 CO 0.01 0.50 0.17 0.58 -1.72 0.00 0.00 179.24 178.78 1uk4 h VAL 296 N 0.92 1.10 -0.46 -1.35 2.07 -1.16 0.12 116.25 117.49 1uk4 h VAL 296 Ca 0.41 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.63 1uk4 h VAL 296 Cb 0.36 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1uk4 h VAL 296 CO -0.17 0.09 -0.05 0.58 0.02 0.00 0.00 177.57 178.04 1uk4 h VAL 297 N 0.35 1.25 0.10 2.57 2.07 -0.72 -1.64 116.25 120.23 1uk4 h VAL 297 Ca 0.10 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 1uk4 h VAL 297 Cb 0.01 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1uk4 h VAL 297 CO -0.02 0.38 -0.05 -0.09 0.02 0.00 0.00 177.57 177.81 1uk4 h ARG 298 N 0.72 -0.13 -0.33 1.57 2.43 0.38 -1.74 114.38 117.28 1uk4 h ARG 298 Ca 0.13 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.38 1uk4 h ARG 298 Cb 0.52 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1uk4 h ARG 298 CO 0.03 -0.08 0.23 1.96 -1.51 0.00 0.00 179.97 180.60 1uk4 h GLN 299 N -0.16 0.13 0.00 0.20 4.20 -0.85 -2.69 115.11 115.94 1uk4 h GLN 299 Ca -0.01 -0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.57 1uk4 h GLN 299 Cb 0.10 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1uk4 h GLN 299 CO 0.02 0.09 -0.64 0.00 -0.67 0.00 0.00 178.83 177.63 1uk4 n SER 301 N -4.52 4.40 -1.62 0.00 7.64 -0.66 -4.91 113.62 113.95 1uk4 n SER 301 Ca -0.21 -2.41 0.00 0.00 1.01 0.00 0.00 58.87 57.25 1uk4 n SER 301 Cb 0.58 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 1uk4 n SER 301 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uk4 n GLY 302 N 0.72 0.00 0.00 0.23 0.00 -1.03 -4.92 105.19 100.19 1uk4 n GLY 302 Ca 0.09 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.24 1uk4 n GLY 302 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70