#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uk4 n GLY 2 N 0.00 -3.38 2.58 0.46 0.00 -1.26 -4.89 105.19 98.71 1uk4 n GLY 2 Ca 0.00 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 1uk4 n GLY 2 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1uk4 s PHE 3 N -4.46 1.61 0.12 1.61 5.36 -1.26 -5.04 117.98 115.91 1uk4 s PHE 3 Ca 0.00 -2.31 -0.14 0.00 -0.96 0.00 0.00 56.93 53.52 1uk4 s PHE 3 Cb 0.00 -1.48 -0.07 0.00 -0.34 0.00 0.00 43.02 41.14 1uk4 s PHE 3 CO 0.00 -0.78 0.52 0.50 -1.46 0.00 0.00 175.22 174.00 1uk4 s ARG 4 N 0.23 3.98 -0.64 10.12 6.06 -1.26 -5.02 118.95 132.42 1uk4 s ARG 4 Ca 0.23 0.48 -0.27 0.00 -2.50 0.00 0.00 55.73 53.66 1uk4 s ARG 4 Cb -0.14 -3.00 0.02 0.00 0.06 0.00 0.00 34.95 31.89 1uk4 s ARG 4 CO -0.07 0.52 1.35 0.21 -2.50 0.00 0.00 175.30 174.81 1uk4 s LYS 5 N -1.78 3.24 0.05 5.12 2.20 -1.26 -4.98 119.74 122.33 1uk4 s LYS 5 Ca 0.35 0.13 -0.08 0.00 -0.36 0.00 0.00 55.97 56.01 1uk4 s LYS 5 Cb -0.16 -4.15 -0.05 0.00 -1.51 0.00 0.00 37.83 31.96 1uk4 s LYS 5 CO 0.19 -2.04 0.34 1.41 -0.36 0.00 0.00 175.35 174.89 1uk4 s MET 6 N 5.62 3.68 0.16 4.03 1.75 -1.26 -4.79 119.30 128.49 1uk4 s MET 6 Ca 0.44 0.07 0.09 0.00 -1.25 0.00 0.00 55.69 55.03 1uk4 s MET 6 Cb -0.09 -3.03 -0.04 0.00 2.84 0.00 0.00 34.83 34.51 1uk4 s MET 6 CO 0.20 0.60 -0.10 0.00 -0.65 0.00 0.00 175.02 175.07 1uk4 s ALA 7 N -1.36 2.92 0.56 4.11 0.00 -1.26 -4.58 121.76 122.15 1uk4 s ALA 7 Ca 0.31 -1.42 -0.19 0.00 0.00 0.00 0.00 51.96 50.65 1uk4 s ALA 7 Cb -0.14 -0.76 -0.05 0.00 0.00 0.00 0.00 23.12 22.18 1uk4 s ALA 7 CO 0.17 0.51 1.15 -0.06 0.00 0.00 0.00 175.76 177.53 1uk4 s PHE 8 N -1.57 2.59 0.18 0.00 0.08 -1.26 -4.93 117.98 113.07 1uk4 s PHE 8 Ca 0.24 1.54 -0.32 0.00 0.12 0.00 0.00 56.93 58.50 1uk4 s PHE 8 Cb -0.09 -3.34 -0.12 0.00 -0.57 0.00 0.00 43.02 38.89 1uk4 s PHE 8 CO 0.14 -1.76 1.72 -2.30 -0.10 0.00 0.00 175.22 172.92 1uk4 n PRO 9 N -1.41 2.65 0.00 0.24 -0.02 -1.26 -4.89 135.00 130.30 1uk4 n PRO 9 Ca 0.12 0.96 0.14 0.00 -2.02 0.00 0.00 63.50 62.70 1uk4 n PRO 9 Cb 0.51 -2.80 0.59 0.00 -0.02 0.00 0.00 33.50 31.78 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 4.24 0.15 -0.36 2.55 3.41 -1.26 -4.53 113.62 117.82 1uk4 n SER 10 Ca 0.17 0.07 -0.10 0.00 -0.26 0.00 0.00 58.87 58.74 1uk4 n SER 10 Cb 0.34 -0.27 -0.08 0.00 -0.26 0.00 0.00 64.21 63.94 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 4.99 -0.76 1.66 5.00 0.00 -2.00 0.27 103.07 112.24 1uk4 h GLY 11 Ca 0.00 0.75 0.03 0.00 0.00 0.00 0.00 47.33 48.10 1uk4 h GLY 11 CO 0.00 -0.01 0.14 0.50 0.00 0.00 0.00 176.54 177.17 1uk4 h LYS 12 N -0.08 0.00 0.11 4.80 1.57 -1.96 -1.85 116.57 119.16 1uk4 h LYS 12 Ca 0.17 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.60 1uk4 h LYS 12 Cb 0.47 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1uk4 h LYS 12 CO -0.87 0.00 -1.85 0.28 -0.57 0.00 0.00 179.45 176.43 1uk4 h VAL 13 N 0.00 0.77 -0.68 0.50 2.07 -1.40 -3.36 116.25 114.16 1uk4 h VAL 13 Ca 0.05 -2.48 0.11 0.00 0.82 0.00 0.00 66.70 65.20 1uk4 h VAL 13 Cb 0.33 2.57 -0.08 0.00 -1.52 0.00 0.00 31.29 32.58 1uk4 h VAL 13 CO -0.00 0.82 0.26 -0.33 0.02 0.00 0.00 177.57 178.34 1uk4 h GLU 14 N 0.07 0.42 -0.13 1.57 5.08 -0.19 -0.27 114.58 121.12 1uk4 h GLU 14 Ca -0.37 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1uk4 h GLU 14 Cb 2.04 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.20 1uk4 h GLU 14 CO 0.11 0.28 0.00 0.41 -1.00 0.00 0.00 179.01 178.81 1uk4 n GLY 15 N -1.31 0.06 0.00 -3.84 0.00 -1.01 -1.53 105.19 97.56 1uk4 n GLY 15 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.12 4.57 0.20 0.00 1.00 -0.58 -0.68 119.30 123.69 1uk4 s MET 17 Ca 0.00 1.35 -0.01 0.00 0.00 0.00 0.00 55.69 57.03 1uk4 s MET 17 Cb 0.00 -3.44 -0.04 0.00 0.00 0.00 0.00 34.83 31.35 1uk4 s MET 17 CO 0.00 0.02 0.14 0.14 0.00 0.00 0.00 175.02 175.32 1uk4 s VAL 18 N 0.77 0.00 -0.08 -6.03 -7.23 -0.92 -4.76 120.40 102.14 1uk4 s VAL 18 Ca 0.49 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.65 1uk4 s VAL 18 Cb -0.21 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.20 1uk4 s VAL 18 CO 0.27 0.00 -0.02 -1.58 -0.31 0.00 0.00 175.10 173.46 1uk4 s GLN 19 N -4.14 2.95 -0.07 4.82 0.74 -0.74 -1.56 119.66 121.67 1uk4 s GLN 19 Ca 0.39 -0.45 0.02 0.00 0.05 0.00 0.00 55.36 55.38 1uk4 s GLN 19 Cb 0.07 -2.75 0.01 0.00 1.10 0.00 0.00 33.01 31.44 1uk4 s GLN 19 CO 0.12 0.67 -0.13 0.08 -0.55 0.00 0.00 175.29 175.49 1uk4 s VAL 20 N -0.81 1.19 0.09 1.34 1.01 -0.52 -0.77 120.40 121.93 1uk4 s VAL 20 Ca 0.12 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.65 1uk4 s VAL 20 Cb -0.11 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 1uk4 s VAL 20 CO 0.02 0.37 -0.17 -0.89 0.00 0.00 0.00 175.10 174.43 1uk4 s THR 21 N 0.64 1.35 -0.22 3.92 2.01 -0.22 -2.06 115.64 121.05 1uk4 s THR 21 Ca -0.15 -1.43 -0.06 0.00 0.31 0.00 0.00 61.69 60.36 1uk4 s THR 21 Cb -0.16 -1.29 0.11 0.00 0.01 0.00 0.00 72.50 71.16 1uk4 s THR 21 CO 0.04 -0.19 0.44 0.00 -0.69 0.00 0.00 174.62 174.22 1uk4 n GLY 23 N 5.39 4.25 0.33 0.00 0.00 -1.26 -0.99 105.19 112.90 1uk4 n GLY 23 Ca -0.08 0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.13 1uk4 n GLY 23 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1uk4 n THR 24 N 0.00 0.00 -2.75 2.61 -1.04 -1.26 -4.96 114.28 106.88 1uk4 n THR 24 Ca 0.00 -0.31 -0.42 0.00 -2.04 0.00 0.00 64.05 61.28 1uk4 n THR 24 Cb 0.00 1.17 -0.03 0.00 -1.82 0.00 0.00 70.33 69.65 1uk4 n THR 24 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1uk4 s THR 25 N -1.98 4.75 -0.05 12.58 2.01 -0.17 -5.04 115.64 127.73 1uk4 s THR 25 Ca 0.13 1.85 0.04 0.00 0.31 0.00 0.00 61.69 64.01 1uk4 s THR 25 Cb 0.13 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.41 1uk4 s THR 25 CO 0.44 -0.13 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.19 1uk4 s THR 26 N 3.01 1.37 0.21 -0.82 2.01 -1.26 -1.81 115.64 118.35 1uk4 s THR 26 Ca 0.41 -0.66 -0.04 0.00 0.31 0.00 0.00 61.69 61.71 1uk4 s THR 26 Cb -0.15 -1.20 0.02 0.00 0.01 0.00 0.00 72.50 71.18 1uk4 s THR 26 CO 0.07 0.40 0.34 0.00 -0.69 0.00 0.00 174.62 174.74 1uk4 n LEU 27 N 3.37 0.00 -4.92 4.42 -0.00 -0.88 -4.94 117.00 114.06 1uk4 n LEU 27 Ca -0.20 -1.53 -0.27 0.00 -0.00 0.00 0.00 56.01 54.02 1uk4 n LEU 27 Cb 0.53 1.70 0.01 0.00 -0.00 0.00 0.00 43.42 45.66 1uk4 n LEU 27 CO 0.25 -0.41 0.43 0.20 -0.00 0.00 0.00 177.39 177.86 1uk4 s ASN 28 N -2.19 6.07 0.07 1.45 0.01 -0.07 -1.45 114.94 118.84 1uk4 s ASN 28 Ca 0.13 0.78 -0.12 0.00 -0.71 0.00 0.00 52.86 52.94 1uk4 s ASN 28 Cb -0.01 -2.04 0.02 0.00 0.41 0.00 0.00 41.25 39.62 1uk4 s ASN 28 CO 0.10 -0.68 0.28 -0.83 -1.51 0.00 0.00 177.10 174.45 1uk4 s GLY 29 N -4.16 -0.07 -0.32 0.66 0.00 -0.60 -4.24 107.32 98.59 1uk4 s GLY 29 Ca 0.48 -0.22 -0.09 0.00 0.00 0.00 0.00 44.72 44.90 1uk4 s GLY 29 CO 0.44 -0.43 0.15 -2.27 0.00 0.00 0.00 173.10 170.98 1uk4 s LEU 30 N -2.45 4.21 -0.58 0.66 0.20 0.51 -2.18 118.68 119.05 1uk4 s LEU 30 Ca -0.00 -0.72 -0.17 0.00 0.69 0.00 0.00 54.13 53.93 1uk4 s LEU 30 Cb 0.01 -1.97 0.13 0.00 -0.43 0.00 0.00 46.19 43.93 1uk4 s LEU 30 CO -0.07 -0.25 0.61 0.86 -0.29 0.00 0.00 176.35 177.20 1uk4 s TRP 31 N 1.56 3.18 -0.18 5.38 -0.00 0.15 -1.13 118.94 127.90 1uk4 s TRP 31 Ca 0.03 -1.21 -0.01 0.00 -0.00 0.00 0.00 56.10 54.90 1uk4 s TRP 31 Cb -0.18 -3.89 -0.00 0.00 -0.00 0.00 0.00 33.47 29.40 1uk4 s TRP 31 CO 0.05 -1.13 -0.11 -0.51 -0.00 0.00 0.00 176.95 175.25 1uk4 s LEU 32 N 1.94 2.67 0.00 5.86 1.43 -0.25 -4.66 118.68 125.67 1uk4 s LEU 32 Ca 0.08 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 1uk4 s LEU 32 Cb -0.26 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.32 1uk4 s LEU 32 CO 0.03 0.05 0.00 0.47 0.23 0.00 0.00 176.35 177.13 1uk4 n ASP 33 N 4.30 0.00 -0.74 2.29 8.00 -1.26 -1.39 116.55 127.76 1uk4 n ASP 33 Ca -0.19 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.36 1uk4 n ASP 33 Cb 0.51 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.70 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 6.61 1.19 -4.13 -2.24 5.68 -1.26 0.33 116.55 122.73 1uk4 n ASP 34 Ca 0.00 -2.68 -0.14 0.00 -0.50 0.00 0.00 54.79 51.48 1uk4 n ASP 34 Cb 0.00 -0.36 -0.11 0.00 -1.14 0.00 0.00 41.12 39.51 1uk4 n ASP 34 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1uk4 s THR 35 N -1.36 0.78 -0.09 2.12 2.01 -0.48 -1.51 115.64 117.11 1uk4 s THR 35 Ca 0.26 -1.46 -0.01 0.00 0.31 0.00 0.00 61.69 60.80 1uk4 s THR 35 Cb 0.26 -1.12 0.03 0.00 0.01 0.00 0.00 72.50 71.68 1uk4 s THR 35 CO -0.06 -0.51 -0.04 -0.69 -0.69 0.00 0.00 174.62 172.63 1uk4 s VAL 36 N -2.14 0.68 -0.15 3.82 1.01 0.36 -1.09 120.40 122.89 1uk4 s VAL 36 Ca 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 61.98 61.83 1uk4 s VAL 36 Cb -0.05 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1uk4 s VAL 36 CO -0.00 0.30 0.11 -0.31 0.00 0.00 0.00 175.10 175.20 1uk4 s TYR 37 N 1.75 3.45 0.09 5.22 2.02 -0.28 -1.51 117.35 128.09 1uk4 s TYR 37 Ca 0.03 0.37 -0.26 0.00 -0.37 0.00 0.00 57.07 56.85 1uk4 s TYR 37 Cb -0.13 -2.00 0.07 0.00 -0.40 0.00 0.00 41.96 39.50 1uk4 s TYR 37 CO -0.06 0.51 0.62 0.00 -1.57 0.00 0.00 175.55 175.06 1uk4 n PRO 39 N 0.05 2.08 0.22 0.00 -0.02 -1.26 -1.86 135.00 134.21 1uk4 n PRO 39 Ca -0.18 0.75 0.15 0.00 -2.02 0.00 0.00 63.50 62.20 1uk4 n PRO 39 Cb 0.62 -2.52 0.76 0.00 -0.02 0.00 0.00 33.50 32.34 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 6.26 0.00 0.00 -0.52 0.11 -1.49 -2.40 114.38 116.34 1uk4 h ARG 40 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 1uk4 h ARG 40 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 1uk4 h ARG 40 CO 0.89 0.00 0.00 -2.39 0.10 0.00 0.00 179.97 178.57 1uk4 n HIS 41 N -2.53 0.00 0.27 4.08 1.44 -1.26 -2.47 115.22 114.76 1uk4 n HIS 41 Ca -0.01 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.82 1uk4 n HIS 41 Cb 0.08 0.00 0.76 0.00 0.12 0.00 0.00 29.99 30.95 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 0.65 -0.05 0.61 3.04 -1.80 -0.32 116.25 118.37 1uk4 h VAL 42 Ca 0.00 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 1uk4 h VAL 42 Cb 0.00 1.20 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 1uk4 h VAL 42 CO 0.00 0.08 0.00 2.30 -1.01 0.00 0.00 177.57 178.94 1uk4 n ILE 43 N -3.86 0.07 -3.43 3.17 -5.35 -1.03 -4.52 119.36 104.41 1uk4 n ILE 43 Ca -0.02 -0.14 -0.37 0.00 -0.27 0.00 0.00 62.75 61.94 1uk4 n ILE 43 Cb 0.18 -0.02 -0.07 0.00 -1.74 0.00 0.00 39.64 37.99 1uk4 n ILE 43 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1uk4 s THR 45 N 0.66 4.46 0.21 0.00 -4.23 -1.26 -4.82 115.64 110.66 1uk4 s THR 45 Ca 0.20 0.55 -0.20 0.00 -1.18 0.00 0.00 61.69 61.07 1uk4 s THR 45 Cb -0.14 -3.76 0.18 0.00 1.34 0.00 0.00 72.50 70.12 1uk4 s THR 45 CO 0.07 -0.92 1.56 0.00 -0.54 0.00 0.00 174.62 174.78 1uk4 h ALA 46 N -0.22 0.03 0.19 3.99 0.00 -1.98 -1.91 119.26 119.36 1uk4 h ALA 46 Ca -0.45 0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1uk4 h ALA 46 Cb 1.21 0.99 -0.04 0.00 0.00 0.00 0.00 17.79 19.96 1uk4 h ALA 46 CO 0.62 -0.67 -0.36 1.05 0.00 0.00 0.00 179.25 179.88 1uk4 h GLU 47 N -0.05 -0.61 -1.45 0.00 9.09 -2.04 -2.35 114.58 117.17 1uk4 h GLU 47 Ca 0.30 0.04 0.47 0.00 0.05 0.00 0.00 59.36 60.22 1uk4 h GLU 47 Cb 0.57 0.14 -0.12 0.00 -1.65 0.00 0.00 28.75 27.69 1uk4 h GLU 47 CO -0.90 -0.41 0.96 -0.44 0.05 0.00 0.00 179.01 178.27 1uk4 h ASP 48 N -0.64 0.18 0.00 3.06 5.19 -1.71 -1.27 116.42 121.23 1uk4 h ASP 48 Ca 0.01 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1uk4 h ASP 48 Cb 0.64 0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.26 1uk4 h ASP 48 CO -0.17 -0.17 0.07 0.23 -3.12 0.00 0.00 179.24 176.07 1uk4 n MET 49 N -4.56 0.02 0.10 3.56 2.81 -0.88 -1.67 117.12 116.49 1uk4 n MET 49 Ca 0.39 0.46 0.00 0.00 -1.81 0.00 0.00 57.70 56.75 1uk4 n MET 49 Cb 1.58 -1.63 -0.03 0.00 -0.71 0.00 0.00 33.22 32.43 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 0.00 -5.00 4.03 3.38 -1.42 0.21 115.31 116.51 1uk4 h LEU 50 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1uk4 h LEU 50 Cb 0.14 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.75 1uk4 h LEU 50 CO 0.00 0.60 -0.09 -3.20 0.09 0.00 0.00 178.44 175.84 1uk4 n ASN 51 N -3.15 -1.46 -4.85 -0.43 5.15 -0.98 -4.65 115.26 104.90 1uk4 n ASN 51 Ca -0.02 -1.91 -0.36 0.00 -0.60 0.00 0.00 54.58 51.70 1uk4 n ASN 51 Cb 0.79 0.82 -0.06 0.00 -0.53 0.00 0.00 39.78 40.81 1uk4 n ASN 51 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1uk4 s PRO 52 N 0.19 3.94 -0.49 1.20 0.04 -0.67 -5.02 135.00 134.19 1uk4 s PRO 52 Ca 0.27 0.43 -0.11 0.00 0.04 0.00 0.00 61.00 61.63 1uk4 s PRO 52 Cb 0.21 -2.98 0.12 0.00 0.04 0.00 0.00 34.50 31.88 1uk4 s PRO 52 CO -0.10 0.52 0.39 1.21 0.04 0.00 0.00 177.00 179.06 1uk4 s ASN 53 N -1.65 5.84 0.23 6.66 3.84 -1.26 -4.93 114.94 123.67 1uk4 s ASN 53 Ca 0.35 -1.87 -0.07 0.00 0.21 0.00 0.00 52.86 51.48 1uk4 s ASN 53 Cb -0.15 -2.07 0.26 0.00 -0.55 0.00 0.00 41.25 38.74 1uk4 s ASN 53 CO 0.19 -0.74 1.88 1.88 -2.79 0.00 0.00 177.10 177.52 1uk4 h TYR 54 N 8.57 1.07 -0.47 0.43 -1.99 -1.97 0.34 116.97 122.94 1uk4 h TYR 54 Ca -0.24 0.03 0.09 0.00 2.00 0.00 0.00 58.73 60.61 1uk4 h TYR 54 Cb 1.08 -0.35 -0.08 0.00 2.00 0.00 0.00 36.73 39.38 1uk4 h TYR 54 CO 0.66 0.62 0.02 1.49 -0.00 0.00 0.00 178.16 180.95 1uk4 h GLU 55 N 1.11 0.13 -0.04 4.88 4.22 -1.99 0.36 114.58 123.25 1uk4 h GLU 55 Ca 0.35 -0.01 -0.21 0.00 0.08 0.00 0.00 59.36 59.56 1uk4 h GLU 55 Cb -0.01 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1uk4 h GLU 55 CO -0.11 0.09 -0.86 0.22 -2.18 0.00 0.00 179.01 176.16 1uk4 h ASP 56 N 0.13 0.56 -0.43 1.04 1.82 -1.86 -2.99 116.42 114.71 1uk4 h ASP 56 Ca 0.24 -0.42 -0.13 0.00 -0.39 0.00 0.00 57.03 56.33 1uk4 h ASP 56 Cb 0.35 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.18 1uk4 h ASP 56 CO -0.38 1.20 -0.25 -0.07 -1.61 0.00 0.00 179.24 178.12 1uk4 h LEU 57 N 0.28 0.96 -1.17 2.28 3.38 0.34 -3.16 115.31 118.22 1uk4 h LEU 57 Ca -0.06 -0.42 -0.07 0.00 0.09 0.00 0.00 57.88 57.42 1uk4 h LEU 57 Cb 1.48 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1uk4 h LEU 57 CO 0.15 1.17 -0.33 0.25 0.09 0.00 0.00 178.44 179.78 1uk4 h LEU 58 N 0.76 0.00 -2.02 1.67 5.85 -0.34 -2.88 115.31 118.35 1uk4 h LEU 58 Ca 0.09 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1uk4 h LEU 58 Cb 0.83 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.86 1uk4 h LEU 58 CO 0.07 0.33 -0.08 -0.29 -0.34 0.00 0.00 178.44 178.13 1uk4 h ILE 59 N 0.00 0.79 -0.00 4.05 6.09 -1.48 -2.14 117.51 124.82 1uk4 h ILE 59 Ca -0.00 -0.30 0.00 0.00 -1.37 0.00 0.00 64.86 63.18 1uk4 h ILE 59 Cb 0.75 1.18 0.00 0.00 0.47 0.00 0.00 36.82 39.22 1uk4 h ILE 59 CO 0.04 0.08 -0.02 0.54 -3.07 0.00 0.00 178.15 175.72 1uk4 n ARG 60 N -4.06 0.20 -3.21 2.19 1.74 -1.08 -4.87 116.66 107.57 1uk4 n ARG 60 Ca -0.03 -0.01 -0.20 0.00 -0.77 0.00 0.00 57.85 56.85 1uk4 n ARG 60 Cb 0.17 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.11 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 -2.80 3.01 0.42 5.56 -0.14 -0.81 -5.10 119.74 119.87 1uk4 s LYS 61 Ca 0.20 -0.89 0.05 0.00 -1.36 0.00 0.00 55.97 53.97 1uk4 s LYS 61 Cb 0.20 -2.72 -0.02 0.00 -1.68 0.00 0.00 37.83 33.61 1uk4 s LYS 61 CO 0.51 -0.14 0.16 -1.13 -0.76 0.00 0.00 175.35 173.99 1uk4 n SER 62 N -1.84 1.06 -0.15 2.83 3.41 -1.26 -5.00 113.62 112.67 1uk4 n SER 62 Ca 0.02 -3.25 -0.11 0.00 -0.26 0.00 0.00 58.87 55.27 1uk4 n SER 62 Cb 0.58 1.13 -0.01 0.00 -0.26 0.00 0.00 64.21 65.65 1uk4 n SER 62 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1uk4 h ASN 63 N 1.72 0.91 0.32 4.04 2.35 -1.94 -2.28 115.58 120.71 1uk4 h ASN 63 Ca -0.32 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.05 1uk4 h ASN 63 Cb 1.26 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.38 1uk4 h ASN 63 CO 0.51 1.09 0.00 0.00 -1.65 0.00 0.00 177.43 177.37 1uk4 n HIS 64 N -4.22 0.00 0.24 1.19 1.44 -1.26 -2.25 115.22 110.36 1uk4 n HIS 64 Ca -0.01 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.83 1uk4 n HIS 64 Cb 0.41 -0.24 0.55 0.00 0.12 0.00 0.00 29.99 30.83 1uk4 n HIS 64 CO 0.00 0.00 0.00 0.77 -2.81 0.00 0.00 176.34 174.30 1uk4 h SER 65 N 0.00 0.00 -2.94 4.39 0.02 -1.80 -3.43 113.55 109.80 1uk4 h SER 65 Ca 0.00 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.28 1uk4 h SER 65 Cb 0.16 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.60 1uk4 h SER 65 CO 0.00 0.16 -0.54 -0.36 -1.14 0.00 0.00 176.83 174.95 1uk4 s PHE 66 N -3.73 3.41 -0.30 3.45 0.08 -0.96 -4.43 117.98 115.51 1uk4 s PHE 66 Ca 0.00 0.38 0.02 0.00 0.12 0.00 0.00 56.93 57.45 1uk4 s PHE 66 Cb 0.10 -1.87 0.09 0.00 -0.57 0.00 0.00 43.02 40.77 1uk4 s PHE 66 CO 0.61 0.62 0.01 -1.17 -0.10 0.00 0.00 175.22 175.19 1uk4 s LEU 67 N -1.04 3.63 -0.07 -0.37 2.96 -0.35 -4.74 118.68 118.71 1uk4 s LEU 67 Ca 0.15 -1.74 -0.02 0.00 -0.22 0.00 0.00 54.13 52.30 1uk4 s LEU 67 Cb -0.12 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.16 1uk4 s LEU 67 CO 0.04 -0.33 0.03 0.68 -1.32 0.00 0.00 176.35 175.45 1uk4 s VAL 68 N 1.17 4.48 -0.03 1.68 -7.23 -1.26 -1.06 120.40 118.15 1uk4 s VAL 68 Ca 0.04 -0.24 0.02 0.00 -1.81 0.00 0.00 61.98 59.99 1uk4 s VAL 68 Cb -0.19 -2.92 0.01 0.00 0.56 0.00 0.00 36.38 33.84 1uk4 s VAL 68 CO -0.10 0.56 -0.07 -1.10 -0.31 0.00 0.00 175.10 174.08 1uk4 s GLN 69 N -1.05 0.85 -0.49 4.82 -0.21 0.05 -0.71 119.66 122.93 1uk4 s GLN 69 Ca 0.15 -0.21 -0.12 0.00 0.02 0.00 0.00 55.36 55.20 1uk4 s GLN 69 Cb -0.11 -0.82 0.11 0.00 1.00 0.00 0.00 33.01 33.19 1uk4 s GLN 69 CO 0.04 0.03 0.39 0.00 -2.12 0.00 0.00 175.29 173.64 1uk4 s ALA 70 N 0.46 3.49 0.00 6.09 0.00 0.11 -1.79 121.76 130.11 1uk4 s ALA 70 Ca -0.06 -2.45 0.00 0.00 0.00 0.00 0.00 51.96 49.45 1uk4 s ALA 70 Cb -0.10 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.03 1uk4 s ALA 70 CO 0.00 -1.90 0.00 0.41 0.00 0.00 0.00 175.76 174.28 1uk4 n GLY 71 N 5.06 3.38 0.35 0.00 0.00 -1.26 -1.57 105.19 111.15 1uk4 n GLY 71 Ca -0.11 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 45.93 1uk4 n GLY 71 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1uk4 n ASN 72 N 9.20 1.59 -4.81 1.61 3.02 -1.26 -4.94 115.26 119.68 1uk4 n ASN 72 Ca 0.00 -1.30 -0.38 0.00 -0.03 0.00 0.00 54.58 52.87 1uk4 n ASN 72 Cb 0.00 0.51 -0.06 0.00 -0.61 0.00 0.00 39.78 39.62 1uk4 n ASN 72 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1uk4 s VAL 73 N -1.98 4.92 -0.09 2.41 1.01 -0.61 -5.07 120.40 120.99 1uk4 s VAL 73 Ca 0.13 1.02 -0.12 0.00 0.00 0.00 0.00 61.98 63.02 1uk4 s VAL 73 Cb 0.13 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1uk4 s VAL 73 CO 0.43 0.54 0.28 -1.10 0.00 0.00 0.00 175.10 175.25 1uk4 s GLN 74 N -0.90 3.83 -0.08 2.72 -0.21 -1.26 0.04 119.66 123.80 1uk4 s GLN 74 Ca 0.26 0.13 -0.05 0.00 0.02 0.00 0.00 55.36 55.72 1uk4 s GLN 74 Cb -0.18 -3.26 -0.04 0.00 1.00 0.00 0.00 33.01 30.53 1uk4 s GLN 74 CO 0.16 0.61 0.14 -0.51 -2.12 0.00 0.00 175.29 173.56 1uk4 s LEU 75 N -0.66 4.31 -0.19 2.90 1.02 0.11 -4.92 118.68 121.26 1uk4 s LEU 75 Ca 0.18 0.40 -0.17 0.00 0.02 0.00 0.00 54.13 54.56 1uk4 s LEU 75 Cb -0.14 -2.23 -0.04 0.00 0.02 0.00 0.00 46.19 43.80 1uk4 s LEU 75 CO 0.07 0.36 0.47 -0.60 0.02 0.00 0.00 176.35 176.67 1uk4 s ARG 76 N -1.34 4.20 -0.30 1.70 3.52 -1.26 -4.05 118.95 121.43 1uk4 s ARG 76 Ca 0.19 0.34 -0.28 0.00 -0.13 0.00 0.00 55.73 55.85 1uk4 s ARG 76 Cb -0.12 -3.54 0.01 0.00 -1.56 0.00 0.00 34.95 29.74 1uk4 s ARG 76 CO 0.09 -0.07 1.00 0.08 -0.81 0.00 0.00 175.30 175.58 1uk4 s VAL 77 N 1.39 4.61 -0.58 7.11 1.01 -1.26 -1.33 120.40 131.36 1uk4 s VAL 77 Ca 0.22 1.66 0.19 0.00 0.00 0.00 0.00 61.98 64.06 1uk4 s VAL 77 Cb -0.15 -4.33 -0.25 0.00 0.00 0.00 0.00 36.38 31.66 1uk4 s VAL 77 CO 0.09 -0.36 0.67 2.30 0.00 0.00 0.00 175.10 177.80 1uk4 n ILE 78 N 5.68 0.00 -3.53 2.22 -5.35 0.07 -4.53 119.36 113.93 1uk4 n ILE 78 Ca 0.10 -0.20 -0.13 0.00 -0.27 0.00 0.00 62.75 62.25 1uk4 n ILE 78 Cb 0.47 0.65 -0.04 0.00 -1.74 0.00 0.00 39.64 38.97 1uk4 n ILE 78 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1uk4 s GLY 79 N -3.35 -0.45 0.01 3.28 0.00 -1.14 -4.97 107.32 100.70 1uk4 s GLY 79 Ca 0.02 1.42 0.00 0.00 0.00 0.00 0.00 44.72 46.16 1uk4 s GLY 79 CO 0.80 0.77 -0.03 -2.38 0.00 0.00 0.00 173.10 172.27 1uk4 s HIS 80 N -1.83 0.23 -0.16 1.90 -3.43 -1.26 0.87 115.29 111.61 1uk4 s HIS 80 Ca -0.03 -0.31 -0.14 0.00 -0.80 0.00 0.00 55.06 53.77 1uk4 s HIS 80 Cb -0.00 -0.16 0.04 0.00 -1.43 0.00 0.00 32.58 31.03 1uk4 s HIS 80 CO 0.01 -0.10 0.43 -1.54 -2.00 0.00 0.00 174.74 171.54 1uk4 s SER 81 N -0.88 -0.46 -0.15 7.38 1.04 0.08 -5.00 113.70 115.72 1uk4 s SER 81 Ca -0.09 0.87 -0.09 0.00 0.48 0.00 0.00 55.95 57.12 1uk4 s SER 81 Cb -0.06 0.87 -0.05 0.00 0.10 0.00 0.00 66.02 66.88 1uk4 s SER 81 CO -0.00 -0.15 0.17 -0.32 0.98 0.00 0.00 173.24 173.91 1uk4 s MET 82 N 0.36 3.87 -0.33 4.02 1.75 -1.26 0.82 119.30 128.53 1uk4 s MET 82 Ca -0.01 -0.11 -0.00 0.00 -1.25 0.00 0.00 55.69 54.32 1uk4 s MET 82 Cb -0.04 -3.31 0.11 0.00 2.84 0.00 0.00 34.83 34.43 1uk4 s MET 82 CO -0.01 0.52 0.12 -1.14 -0.65 0.00 0.00 175.02 173.86 1uk4 s GLN 83 N -0.29 0.80 7.86 4.11 0.74 -1.23 -4.96 119.66 126.68 1uk4 s GLN 83 Ca 0.13 -1.22 0.00 0.00 0.05 0.00 0.00 55.36 54.32 1uk4 s GLN 83 Cb -0.12 -2.04 0.00 0.00 1.10 0.00 0.00 33.01 31.95 1uk4 s GLN 83 CO 0.02 -1.02 0.00 0.09 -0.55 0.00 0.00 175.29 173.83 1uk4 n ASN 84 N 4.64 0.00 -0.67 6.67 3.02 -1.26 -1.51 115.26 126.15 1uk4 n ASN 84 Ca -0.00 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.65 1uk4 n ASN 84 Cb 0.41 0.00 0.31 0.00 -0.61 0.00 0.00 39.78 39.89 1uk4 n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uk4 n LEU 86 N 0.54 0.00 -3.66 0.00 4.77 -0.57 -1.75 117.00 116.35 1uk4 n LEU 86 Ca 0.16 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.09 1uk4 n LEU 86 Cb 0.36 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.39 1uk4 n LEU 86 CO 0.12 -0.31 0.19 -0.22 -1.33 0.00 0.00 177.39 175.84 1uk4 s LEU 87 N 0.00 -0.86 -0.42 2.23 0.20 -0.78 -3.56 118.68 115.50 1uk4 s LEU 87 Ca 0.00 1.33 -0.09 0.00 0.69 0.00 0.00 54.13 56.06 1uk4 s LEU 87 Cb 0.00 1.94 0.08 0.00 -0.43 0.00 0.00 46.19 47.78 1uk4 s LEU 87 CO 0.00 -0.22 0.26 -0.13 -0.29 0.00 0.00 176.35 175.96 1uk4 s ARG 88 N 2.44 2.58 -0.22 1.98 0.52 0.24 -2.81 118.95 123.68 1uk4 s ARG 88 Ca -0.06 -1.47 -0.13 0.00 -0.52 0.00 0.00 55.73 53.55 1uk4 s ARG 88 Cb -0.10 -3.77 -0.04 0.00 0.52 0.00 0.00 34.95 31.55 1uk4 s ARG 88 CO -0.17 -0.96 0.27 -0.51 0.02 0.00 0.00 175.30 173.96 1uk4 s LEU 89 N 1.41 4.14 0.08 2.53 1.43 -0.57 -0.74 118.68 126.97 1uk4 s LEU 89 Ca 0.03 0.31 -0.13 0.00 -1.03 0.00 0.00 54.13 53.31 1uk4 s LEU 89 Cb -0.23 -2.30 -0.06 0.00 0.03 0.00 0.00 46.19 43.63 1uk4 s LEU 89 CO 0.02 0.01 0.47 -0.75 0.23 0.00 0.00 176.35 176.32 1uk4 s LYS 90 N 1.13 3.92 0.30 1.70 2.20 0.25 -0.49 119.74 128.74 1uk4 s LYS 90 Ca 0.13 0.40 0.05 0.00 -0.36 0.00 0.00 55.97 56.18 1uk4 s LYS 90 Cb -0.14 -3.06 -0.06 0.00 -1.51 0.00 0.00 37.83 33.06 1uk4 s LYS 90 CO 0.06 0.58 0.00 0.14 -0.36 0.00 0.00 175.35 175.77 1uk4 s VAL 91 N -1.30 1.36 0.07 4.02 -7.23 -0.57 -0.75 120.40 116.01 1uk4 s VAL 91 Ca 0.32 -2.05 -0.09 0.00 -1.81 0.00 0.00 61.98 58.35 1uk4 s VAL 91 Cb -0.16 -2.60 -0.28 0.00 0.56 0.00 0.00 36.38 33.91 1uk4 s VAL 91 CO 0.17 -0.17 1.14 -2.24 -0.31 0.00 0.00 175.10 173.70 1uk4 h ASP 92 N 2.22 0.63 -3.89 4.85 3.04 -1.52 -3.45 116.42 118.30 1uk4 h ASP 92 Ca -0.40 -0.61 -0.49 0.00 -3.24 0.00 0.00 57.03 52.29 1uk4 h ASP 92 Cb 1.24 -0.20 0.05 0.00 -1.04 0.00 0.00 39.33 39.38 1uk4 h ASP 92 CO 0.68 1.45 0.24 -0.89 -2.04 0.00 0.00 179.24 178.68 1uk4 s THR 93 N -2.86 4.21 -0.06 1.15 2.01 -1.26 -5.08 115.64 113.76 1uk4 s THR 93 Ca -0.06 0.31 0.04 0.00 0.31 0.00 0.00 61.69 62.29 1uk4 s THR 93 Cb 0.07 -3.66 -0.00 0.00 0.01 0.00 0.00 72.50 68.91 1uk4 s THR 93 CO 0.90 -0.74 -0.20 -0.94 -0.69 0.00 0.00 174.62 172.95 1uk4 s SER 94 N -4.23 2.53 -0.44 3.53 1.04 -1.26 -4.52 113.70 110.36 1uk4 s SER 94 Ca 0.53 -0.43 -0.28 0.00 0.48 0.00 0.00 55.95 56.25 1uk4 s SER 94 Cb -0.11 -0.88 -0.01 0.00 0.10 0.00 0.00 66.02 65.13 1uk4 s SER 94 CO 0.48 0.16 1.64 0.21 0.98 0.00 0.00 173.24 176.70 1uk4 s ASN 95 N 0.15 5.94 0.42 7.02 2.47 0.15 -4.85 114.94 126.25 1uk4 s ASN 95 Ca -0.09 0.82 0.29 0.00 0.42 0.00 0.00 52.86 54.31 1uk4 s ASN 95 Cb -0.14 -2.53 1.31 0.00 -1.45 0.00 0.00 41.25 38.43 1uk4 s ASN 95 CO 0.04 -1.75 1.88 1.55 -3.72 0.00 0.00 177.10 175.10 1uk4 h PRO 96 N 12.34 0.00 -0.00 0.43 0.13 -1.94 -2.26 132.00 140.69 1uk4 h PRO 96 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1uk4 h PRO 96 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1uk4 h PRO 96 CO 1.10 0.00 -0.17 1.63 -0.23 0.00 0.00 178.00 180.34 1uk4 n LYS 97 N -2.65 0.63 -1.69 0.86 5.02 -1.26 -4.91 118.16 114.16 1uk4 n LYS 97 Ca 0.01 -0.26 -0.53 0.00 -2.02 0.00 0.00 58.31 55.50 1uk4 n LYS 97 Cb 0.22 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.67 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 -0.96 0.39 -2.31 -0.18 -1.04 -0.85 -4.92 114.28 104.41 1uk4 n THR 98 Ca 0.13 -0.07 -0.26 0.00 -2.04 0.00 0.00 64.05 61.81 1uk4 n THR 98 Cb 0.30 -1.47 0.14 0.00 -1.82 0.00 0.00 70.33 67.48 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 3.48 1.24 0.24 -2.82 0.04 -1.26 -4.98 135.00 130.94 1uk4 s PRO 99 Ca 0.95 -0.82 -0.30 0.00 0.04 0.00 0.00 61.00 60.87 1uk4 s PRO 99 Cb -0.90 -2.13 -0.09 0.00 0.04 0.00 0.00 34.50 31.42 1uk4 s PRO 99 CO 0.58 -1.86 1.10 0.15 0.04 0.00 0.00 177.00 177.01 1uk4 s LYS 100 N -5.46 4.63 0.25 4.56 1.02 -1.26 -4.94 119.74 118.54 1uk4 s LYS 100 Ca 0.70 1.76 -0.16 0.00 0.02 0.00 0.00 55.97 58.29 1uk4 s LYS 100 Cb -0.05 -3.23 0.01 0.00 -0.52 0.00 0.00 37.83 34.05 1uk4 s LYS 100 CO 0.48 0.17 0.57 1.52 -0.92 0.00 0.00 175.35 177.17 1uk4 s TYR 101 N -0.80 0.11 0.06 3.18 -0.85 -1.26 -0.18 117.35 117.61 1uk4 s TYR 101 Ca 0.46 -0.50 -0.06 0.00 -0.52 0.00 0.00 57.07 56.45 1uk4 s TYR 101 Cb -0.31 0.40 -0.01 0.00 0.38 0.00 0.00 41.96 42.42 1uk4 s TYR 101 CO 0.38 -1.07 0.12 0.15 -1.52 0.00 0.00 175.55 173.61 1uk4 s LYS 102 N -3.97 0.70 -0.21 -3.49 3.01 0.10 -4.89 119.74 110.99 1uk4 s LYS 102 Ca 0.17 -0.89 -0.07 0.00 -1.01 0.00 0.00 55.97 54.16 1uk4 s LYS 102 Cb -0.03 0.27 -0.03 0.00 -1.01 0.00 0.00 37.83 37.03 1uk4 s LYS 102 CO 0.07 -0.19 0.05 -0.06 0.51 0.00 0.00 175.35 175.73 1uk4 s PHE 103 N -3.28 3.12 -0.02 3.18 2.99 -1.26 -1.23 117.98 121.47 1uk4 s PHE 103 Ca 0.01 -0.25 0.02 0.00 0.00 0.00 0.00 56.93 56.70 1uk4 s PHE 103 Cb 0.03 -2.15 0.01 0.00 0.00 0.00 0.00 43.02 40.91 1uk4 s PHE 103 CO -0.08 -0.16 -0.06 0.14 -0.00 0.00 0.00 175.22 175.06 1uk4 s VAL 104 N 1.05 0.57 -0.37 -0.44 -7.23 0.36 -4.94 120.40 109.40 1uk4 s VAL 104 Ca 0.04 -0.24 -0.18 0.00 -1.81 0.00 0.00 61.98 59.79 1uk4 s VAL 104 Cb -0.14 -0.53 0.00 0.00 0.56 0.00 0.00 36.38 36.27 1uk4 s VAL 104 CO 0.03 0.20 0.52 -0.60 -0.31 0.00 0.00 175.10 174.93 1uk4 s ARG 105 N 0.32 3.49 0.54 4.82 3.52 -1.26 -3.99 118.95 126.38 1uk4 s ARG 105 Ca -0.04 -0.29 -0.07 0.00 -0.13 0.00 0.00 55.73 55.20 1uk4 s ARG 105 Cb -0.08 -3.85 -0.03 0.00 -1.56 0.00 0.00 34.95 29.42 1uk4 s ARG 105 CO 0.00 -0.73 0.88 0.96 -0.81 0.00 0.00 175.30 175.60 1uk4 s ILE 106 N 2.42 4.70 0.02 4.11 -4.36 -1.26 -5.07 121.20 121.75 1uk4 s ILE 106 Ca 0.18 0.39 -0.09 0.00 -0.26 0.00 0.00 60.65 60.86 1uk4 s ILE 106 Cb -0.15 -3.82 -0.05 0.00 1.25 0.00 0.00 42.46 39.68 1uk4 s ILE 106 CO 0.14 -0.90 0.33 -1.10 0.24 0.00 0.00 174.94 173.65 1uk4 s GLN 107 N -4.91 3.69 0.25 0.37 -1.52 -1.26 -5.04 119.66 111.24 1uk4 s GLN 107 Ca 0.50 0.10 -0.29 0.00 -1.95 0.00 0.00 55.36 53.72 1uk4 s GLN 107 Cb -0.11 -3.09 -0.15 0.00 -0.22 0.00 0.00 33.01 29.44 1uk4 s GLN 107 CO 0.48 0.64 0.94 -2.30 -0.25 0.00 0.00 175.29 174.80 1uk4 n PRO 108 N 1.28 1.06 0.00 2.91 -0.02 -1.26 -1.92 135.00 137.05 1uk4 n PRO 108 Ca -0.12 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1uk4 n PRO 108 Cb 0.53 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 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 1.48 3.29 3.87 -1.23 0.00 0.92 -4.94 105.19 108.58 1uk4 n GLY 109 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.75 2.67 0.29 1.61 -0.21 -0.81 -4.69 119.66 117.77 1uk4 s GLN 110 Ca 0.00 0.49 0.10 0.00 0.02 0.00 0.00 55.36 55.97 1uk4 s GLN 110 Cb 0.00 -2.00 -0.05 0.00 1.00 0.00 0.00 33.01 31.97 1uk4 s GLN 110 CO 0.00 -1.18 -0.00 0.95 -2.12 0.00 0.00 175.29 172.94 1uk4 s THR 111 N -3.32 3.14 0.08 -0.19 -4.23 -1.26 -0.02 115.64 109.84 1uk4 s THR 111 Ca 0.59 -1.94 -0.27 0.00 -1.18 0.00 0.00 61.69 58.89 1uk4 s THR 111 Cb -0.12 -2.80 0.08 0.00 1.34 0.00 0.00 72.50 71.00 1uk4 s THR 111 CO 0.52 -0.32 0.91 0.72 -0.54 0.00 0.00 174.62 175.91 1uk4 s PHE 112 N -2.39 -0.25 -0.13 3.99 -0.12 -0.13 -4.95 117.98 114.00 1uk4 s PHE 112 Ca 0.33 0.03 -0.08 0.00 -0.05 0.00 0.00 56.93 57.15 1uk4 s PHE 112 Cb -0.05 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 42.89 1uk4 s PHE 112 CO 0.20 -0.70 0.16 -1.12 -0.05 0.00 0.00 175.22 173.70 1uk4 s SER 113 N -2.72 6.39 -0.14 1.98 0.01 0.25 -1.42 113.70 118.04 1uk4 s SER 113 Ca 0.08 0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.80 1uk4 s SER 113 Cb -0.01 -2.09 -0.01 0.00 0.21 0.00 0.00 66.02 64.12 1uk4 s SER 113 CO -0.04 0.36 -0.14 -0.69 0.41 0.00 0.00 173.24 173.14 1uk4 s VAL 114 N -0.76 2.89 -0.54 3.43 1.01 -0.24 0.16 120.40 126.36 1uk4 s VAL 114 Ca 0.14 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 1uk4 s VAL 114 Cb -0.12 -2.22 0.13 0.00 0.00 0.00 0.00 36.38 34.17 1uk4 s VAL 114 CO 0.04 0.52 0.46 -0.22 0.00 0.00 0.00 175.10 175.89 1uk4 s LEU 115 N 0.55 6.04 -0.01 3.92 2.96 -0.90 -2.23 118.68 129.00 1uk4 s LEU 115 Ca -0.09 -1.92 -0.30 0.00 -0.22 0.00 0.00 54.13 51.60 1uk4 s LEU 115 Cb -0.16 -2.13 -0.05 0.00 0.50 0.00 0.00 46.19 44.35 1uk4 s LEU 115 CO 0.04 -0.77 1.43 0.00 -1.32 0.00 0.00 176.35 175.72 1uk4 s ALA 116 N 1.39 3.59 0.14 5.97 0.00 0.62 -4.14 121.76 129.34 1uk4 s ALA 116 Ca 0.05 0.87 0.06 0.00 0.00 0.00 0.00 51.96 52.95 1uk4 s ALA 116 Cb -0.27 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.19 1uk4 s ALA 116 CO 0.01 -0.98 -0.14 0.00 0.00 0.00 0.00 175.76 174.64 1uk4 s TYR 118 N -2.41 0.08 -0.85 0.00 2.02 -0.46 -4.14 117.35 111.59 1uk4 s TYR 118 Ca 0.13 -0.13 -0.03 0.00 -0.37 0.00 0.00 57.07 56.67 1uk4 s TYR 118 Cb -0.03 -0.60 0.00 0.00 -0.40 0.00 0.00 41.96 40.93 1uk4 s TYR 118 CO 0.04 -0.49 0.73 0.09 -1.57 0.00 0.00 175.55 174.35 1uk4 n ASN 119 N 5.29 -3.42 0.00 2.29 4.13 -1.26 -2.63 115.26 119.65 1uk4 n ASN 119 Ca -0.06 -0.39 0.00 0.00 1.68 0.00 0.00 54.58 55.81 1uk4 n ASN 119 Cb 0.49 -3.57 0.00 0.00 -1.54 0.00 0.00 39.78 35.17 1uk4 n ASN 119 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1uk4 n GLY 120 N -1.29 0.35 3.44 7.41 0.00 -1.25 -4.57 105.19 109.29 1uk4 n GLY 120 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1uk4 n GLY 120 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uk4 s SER 121 N -2.29 4.86 0.13 1.61 0.15 -1.08 -4.10 113.70 112.98 1uk4 s SER 121 Ca 0.00 -0.21 -0.31 0.00 0.70 0.00 0.00 55.95 56.13 1uk4 s SER 121 Cb 0.00 -1.84 -0.10 0.00 -1.71 0.00 0.00 66.02 62.37 1uk4 s SER 121 CO 0.00 0.04 1.63 -2.84 1.20 0.00 0.00 173.24 173.27 1uk4 s PRO 122 N 1.14 4.20 -0.10 5.44 0.02 -1.26 -1.35 135.00 143.07 1uk4 s PRO 122 Ca 0.03 2.38 0.09 0.00 0.02 0.00 0.00 61.00 63.52 1uk4 s PRO 122 Cb -0.14 -3.34 -0.12 0.00 0.02 0.00 0.00 34.50 30.91 1uk4 s PRO 122 CO 0.02 -0.68 0.03 0.45 -0.33 0.00 0.00 177.00 176.48 1uk4 n SER 123 N 4.69 2.48 0.00 2.53 2.88 0.12 -4.95 113.62 121.37 1uk4 n SER 123 Ca 0.15 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1uk4 n SER 123 Cb 0.39 0.70 0.00 0.00 -0.75 0.00 0.00 64.21 64.55 1uk4 n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uk4 n GLY 124 N 2.39 0.57 3.16 0.46 0.00 -1.07 -5.00 105.19 105.70 1uk4 n GLY 124 Ca -0.17 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 44.91 1uk4 n GLY 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uk4 s VAL 125 N -2.00 1.30 0.00 1.61 0.11 -1.26 -0.28 120.40 119.88 1uk4 s VAL 125 Ca 0.00 -0.80 -0.13 0.00 -2.93 0.00 0.00 61.98 58.12 1uk4 s VAL 125 Cb 0.00 -1.10 0.02 0.00 -1.53 0.00 0.00 36.38 33.77 1uk4 s VAL 125 CO 0.00 0.29 0.28 -0.72 -3.33 0.00 0.00 175.10 171.62 1uk4 s TYR 126 N -0.50 -0.12 -0.12 1.54 -0.85 -0.95 -4.97 117.35 111.39 1uk4 s TYR 126 Ca 0.06 0.11 -0.13 0.00 -0.52 0.00 0.00 57.07 56.59 1uk4 s TYR 126 Cb -0.07 0.07 -0.05 0.00 0.38 0.00 0.00 41.96 42.30 1uk4 s TYR 126 CO -0.00 -0.41 0.28 -1.14 -1.52 0.00 0.00 175.55 172.77 1uk4 s GLN 127 N -1.69 4.06 0.26 -3.49 2.00 -1.26 -1.08 119.66 118.46 1uk4 s GLN 127 Ca -0.11 0.11 -0.08 0.00 -2.00 0.00 0.00 55.36 53.27 1uk4 s GLN 127 Cb -0.04 -3.35 -0.01 0.00 0.80 0.00 0.00 33.01 30.41 1uk4 s GLN 127 CO 0.02 0.41 0.40 0.00 -0.50 0.00 0.00 175.29 175.62 1uk4 s ALA 129 N -3.86 2.67 -0.58 0.00 0.00 -1.26 -0.96 121.76 117.77 1uk4 s ALA 129 Ca 0.28 -1.15 -0.28 0.00 0.00 0.00 0.00 51.96 50.81 1uk4 s ALA 129 Cb 0.01 -0.82 0.01 0.00 0.00 0.00 0.00 23.12 22.32 1uk4 s ALA 129 CO 0.12 0.58 1.47 1.41 0.00 0.00 0.00 175.76 179.33 1uk4 s MET 130 N -1.38 3.20 0.82 0.00 0.00 0.97 -4.51 119.30 118.41 1uk4 s MET 130 Ca 0.15 0.43 -0.14 0.00 0.00 0.00 0.00 55.69 56.13 1uk4 s MET 130 Cb -0.11 -4.17 0.04 0.00 0.00 0.00 0.00 34.83 30.60 1uk4 s MET 130 CO 0.05 -2.06 0.84 0.54 0.00 0.00 0.00 175.02 174.39 1uk4 n ARG 131 N 8.80 0.07 -0.16 4.11 5.12 0.06 -0.05 116.66 134.61 1uk4 n ARG 131 Ca 0.13 0.09 0.03 0.00 -1.93 0.00 0.00 57.85 56.17 1uk4 n ARG 131 Cb 0.49 -2.14 0.32 0.00 -1.16 0.00 0.00 32.46 29.98 1uk4 n ARG 131 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1uk4 h PRO 132 N -0.97 0.80 -0.62 5.56 0.11 -1.85 -0.95 132.00 134.09 1uk4 h PRO 132 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1uk4 h PRO 132 Cb 1.31 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1uk4 h PRO 132 CO 0.42 0.53 0.00 0.27 -0.21 0.00 0.00 178.00 179.01 1uk4 n ASN 133 N -4.45 0.91 0.00 -2.05 0.23 -1.26 -4.86 115.26 103.77 1uk4 n ASN 133 Ca 0.08 -2.04 0.00 0.00 -0.53 0.00 0.00 54.58 52.09 1uk4 n ASN 133 Cb 0.11 -0.33 0.00 0.00 -2.08 0.00 0.00 39.78 37.48 1uk4 n ASN 133 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1uk4 n HIS 134 N -0.11 0.00 -3.34 -2.53 8.25 -0.36 -4.49 115.22 112.63 1uk4 n HIS 134 Ca 0.02 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.29 1uk4 n HIS 134 Cb 0.21 -0.69 -0.01 0.00 1.12 0.00 0.00 29.99 30.61 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 -2.20 2.87 -0.10 1.59 -4.23 -1.26 -4.50 115.64 107.81 1uk4 s THR 135 Ca 0.00 -1.19 0.01 0.00 -1.18 0.00 0.00 61.69 59.33 1uk4 s THR 135 Cb 0.00 -3.02 0.02 0.00 1.34 0.00 0.00 72.50 70.84 1uk4 s THR 135 CO 0.00 -0.01 -0.12 -0.51 -0.54 0.00 0.00 174.62 173.43 1uk4 s ILE 136 N -2.41 1.29 -1.17 2.99 2.07 -0.46 -0.76 121.20 122.74 1uk4 s ILE 136 Ca 0.51 -0.51 -0.21 0.00 -1.41 0.00 0.00 60.65 59.02 1uk4 s ILE 136 Cb -0.06 -1.21 -0.01 0.00 0.13 0.00 0.00 42.46 41.30 1uk4 s ILE 136 CO 0.30 0.40 1.82 -0.54 -1.91 0.00 0.00 174.94 175.01 1uk4 s LYS 137 N 1.14 3.14 -0.61 3.50 1.02 -1.26 -1.63 119.74 125.03 1uk4 s LYS 137 Ca -0.05 -1.35 0.06 0.00 0.02 0.00 0.00 55.97 54.65 1uk4 s LYS 137 Cb -0.14 -5.34 0.23 0.00 -0.52 0.00 0.00 37.83 32.06 1uk4 s LYS 137 CO -0.03 -3.12 0.66 0.41 -0.92 0.00 0.00 175.35 172.35 1uk4 n GLY 138 N 5.91 4.33 0.22 -3.33 0.00 -1.26 -4.90 105.19 106.15 1uk4 n GLY 138 Ca 0.44 -2.53 0.03 0.00 0.00 0.00 0.00 46.02 43.96 1uk4 n GLY 138 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1uk4 h SER 139 N 4.42 0.00 -3.87 1.61 0.87 -1.96 -3.26 113.55 111.36 1uk4 h SER 139 Ca 0.18 0.00 -0.76 0.00 -1.23 0.00 0.00 61.79 59.97 1uk4 h SER 139 Cb 0.71 0.00 -0.29 0.00 -0.44 0.00 0.00 62.40 62.39 1uk4 h SER 139 CO 0.75 0.00 0.01 -0.36 -0.53 0.00 0.00 176.83 176.71 1uk4 s PHE 140 N -3.43 3.73 -0.25 2.24 0.40 -1.26 -4.62 117.98 114.79 1uk4 s PHE 140 Ca -0.01 -2.29 0.06 0.00 -0.60 0.00 0.00 56.93 54.10 1uk4 s PHE 140 Cb 0.02 -3.65 0.22 0.00 0.51 0.00 0.00 43.02 40.12 1uk4 s PHE 140 CO 0.06 -0.94 1.12 1.28 0.70 0.00 0.00 175.22 177.44 1uk4 n LEU 141 N 3.64 -1.07 -3.45 -0.37 4.77 -1.23 -4.93 117.00 114.37 1uk4 n LEU 141 Ca 0.14 -2.34 -0.40 0.00 -0.03 0.00 0.00 56.01 53.38 1uk4 n LEU 141 Cb 0.44 0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 42.01 1uk4 n LEU 141 CO 0.35 1.43 2.91 -0.46 -1.33 0.00 0.00 177.39 180.28 1uk4 n ASN 142 N -0.72 7.78 0.00 -1.43 0.23 -1.26 -3.78 115.26 116.07 1uk4 n ASN 142 Ca -0.12 -2.82 0.00 0.00 -0.53 0.00 0.00 54.58 51.10 1uk4 n ASN 142 Cb 0.72 -1.50 0.00 0.00 -2.08 0.00 0.00 39.78 36.92 1uk4 n ASN 142 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1uk4 n GLY 143 N 2.97 1.87 1.62 4.83 0.00 -1.26 -5.04 105.19 110.18 1uk4 n GLY 143 Ca 0.68 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.65 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 0.00 3.94 -4.59 1.61 3.41 -1.25 -4.74 113.62 112.00 1uk4 n SER 144 Ca 0.00 -3.37 -0.41 0.00 -0.26 0.00 0.00 58.87 54.83 1uk4 n SER 144 Cb 0.00 -0.70 0.02 0.00 -0.26 0.00 0.00 64.21 63.27 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 1.28 1.03 3.77 0.00 0.00 -0.70 -0.89 105.19 109.68 1uk4 n GLY 146 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.30 5.46 0.22 1.61 0.01 -0.36 -4.23 113.70 114.11 1uk4 s SER 147 Ca 0.00 2.22 0.10 0.00 1.31 0.00 0.00 55.95 59.58 1uk4 s SER 147 Cb 0.00 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 1uk4 s SER 147 CO 0.00 -1.40 -0.19 0.68 0.41 0.00 0.00 173.24 172.73 1uk4 s VAL 148 N -1.79 2.14 0.04 3.43 -7.23 -1.26 -0.85 120.40 114.88 1uk4 s VAL 148 Ca 0.73 -2.16 0.03 0.00 -1.81 0.00 0.00 61.98 58.77 1uk4 s VAL 148 Cb -0.25 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 1uk4 s VAL 148 CO 0.31 -0.35 0.02 -0.83 -0.31 0.00 0.00 175.10 173.94 1uk4 s GLY 149 N -3.07 1.93 0.20 2.32 0.00 0.12 -2.12 107.32 106.69 1uk4 s GLY 149 Ca 0.23 -1.00 -0.23 0.00 0.00 0.00 0.00 44.72 43.71 1uk4 s GLY 149 CO 0.10 -0.93 0.81 -0.11 0.00 0.00 0.00 173.10 172.97 1uk4 s PHE 150 N -1.22 -0.22 0.08 1.90 -0.12 0.12 -1.43 117.98 117.09 1uk4 s PHE 150 Ca 0.24 -0.13 0.04 0.00 -0.05 0.00 0.00 56.93 57.03 1uk4 s PHE 150 Cb -0.12 0.65 -0.03 0.00 -0.63 0.00 0.00 43.02 42.89 1uk4 s PHE 150 CO 0.15 -0.99 -0.10 -0.80 -0.05 0.00 0.00 175.22 173.43 1uk4 s ASN 151 N -2.87 1.35 -0.21 1.98 0.01 -0.44 -0.58 114.94 114.17 1uk4 s ASN 151 Ca 0.10 -0.70 -0.00 0.00 -0.71 0.00 0.00 52.86 51.54 1uk4 s ASN 151 Cb -0.03 0.00 0.06 0.00 0.41 0.00 0.00 41.25 41.69 1uk4 s ASN 151 CO 0.02 -0.21 -0.04 -0.63 -1.51 0.00 0.00 177.10 174.72 1uk4 s ILE 152 N -1.93 1.32 -0.53 0.60 1.01 -1.26 -0.64 121.20 119.77 1uk4 s ILE 152 Ca -0.00 -1.01 -0.14 0.00 0.00 0.00 0.00 60.65 59.50 1uk4 s ILE 152 Cb -0.06 -1.59 0.13 0.00 0.01 0.00 0.00 42.46 40.95 1uk4 s ILE 152 CO 0.01 -0.06 0.47 -0.62 0.00 0.00 0.00 174.94 174.73 1uk4 s ASP 153 N 1.50 6.08 0.26 3.58 2.15 -0.68 -4.89 116.67 124.68 1uk4 s ASP 153 Ca -0.04 -1.83 0.00 0.00 0.43 0.00 0.00 52.55 51.12 1uk4 s ASP 153 Cb -0.18 -2.17 0.00 0.00 -0.30 0.00 0.00 42.92 40.28 1uk4 s ASP 153 CO -0.07 -0.82 0.00 -1.22 -0.17 0.00 0.00 175.17 172.89 1uk4 n TYR 154 N 5.16 0.00 -0.21 -5.34 4.01 -1.26 -2.25 117.16 117.28 1uk4 n TYR 154 Ca -0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 1uk4 n TYR 154 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 1uk4 n TYR 154 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1uk4 n ASP 155 N 5.63 0.62 -4.86 7.72 5.75 -1.26 -5.03 116.55 125.11 1uk4 n ASP 155 Ca 0.00 -0.89 -0.37 0.00 -0.01 0.00 0.00 54.79 53.52 1uk4 n ASP 155 Cb 0.00 0.13 -0.06 0.00 -1.03 0.00 0.00 41.12 40.16 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 -0.88 4.71 -0.39 0.00 1.01 0.74 -1.68 120.40 123.91 1uk4 s VAL 157 Ca 0.14 -0.06 -0.07 0.00 0.00 0.00 0.00 61.98 62.00 1uk4 s VAL 157 Cb -0.12 -3.14 0.07 0.00 0.00 0.00 0.00 36.38 33.19 1uk4 s VAL 157 CO 0.03 0.43 0.19 -0.44 0.00 0.00 0.00 175.10 175.31 1uk4 s SER 158 N 0.66 5.42 -0.06 3.32 0.01 0.19 -0.72 113.70 122.52 1uk4 s SER 158 Ca 0.03 -1.47 -0.29 0.00 1.31 0.00 0.00 55.95 55.53 1uk4 s SER 158 Cb -0.13 -1.91 -0.02 0.00 0.21 0.00 0.00 66.02 64.17 1uk4 s SER 158 CO 0.02 -0.46 0.96 -0.36 0.41 0.00 0.00 173.24 173.81 1uk4 s PHE 159 N 1.36 3.57 0.00 2.43 0.08 -0.37 -1.33 117.98 123.73 1uk4 s PHE 159 Ca 0.02 1.59 0.00 0.00 0.12 0.00 0.00 56.93 58.66 1uk4 s PHE 159 Cb -0.22 -3.12 0.00 0.00 -0.57 0.00 0.00 43.02 39.11 1uk4 s PHE 159 CO 0.01 -0.11 0.02 0.00 -0.10 0.00 0.00 175.22 175.03 1uk4 s TYR 161 N -0.61 -0.11 -0.05 0.00 5.04 -1.04 -4.36 117.35 116.22 1uk4 s TYR 161 Ca 0.00 0.24 -0.01 0.00 -2.44 0.00 0.00 57.07 54.86 1uk4 s TYR 161 Cb 0.00 0.03 0.03 0.00 0.35 0.00 0.00 41.96 42.37 1uk4 s TYR 161 CO 0.00 -0.22 0.02 1.41 -1.34 0.00 0.00 175.55 175.42 1uk4 s MET 162 N -0.69 0.27 0.26 4.97 -2.45 0.06 0.12 119.30 121.84 1uk4 s MET 162 Ca -0.08 0.20 -0.29 0.00 -1.25 0.00 0.00 55.69 54.27 1uk4 s MET 162 Cb -0.04 -0.67 -0.09 0.00 1.25 0.00 0.00 34.83 35.27 1uk4 s MET 162 CO 0.01 -0.27 1.26 -1.58 1.05 0.00 0.00 175.02 175.49 1uk4 s HIS 163 N 1.81 3.26 0.00 4.11 2.46 -0.03 -0.96 115.29 125.93 1uk4 s HIS 163 Ca 0.01 1.40 0.00 0.00 0.47 0.00 0.00 55.06 56.94 1uk4 s HIS 163 Cb -0.12 -3.55 0.00 0.00 -0.13 0.00 0.00 32.58 28.77 1uk4 s HIS 163 CO -0.04 -1.56 0.00 0.72 -2.47 0.00 0.00 174.74 171.39 1uk4 n HIS 164 N 1.71 0.00 -4.12 3.88 8.25 -1.12 -1.71 115.22 122.11 1uk4 n HIS 164 Ca 0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.40 1uk4 n HIS 164 Cb 0.43 0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.45 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 -1.42 0.77 -0.43 -0.41 -1.94 -0.70 -4.95 119.30 110.22 1uk4 s MET 165 Ca 0.00 -1.32 0.04 0.00 -1.71 0.00 0.00 55.69 52.70 1uk4 s MET 165 Cb 0.00 0.23 0.50 0.00 2.01 0.00 0.00 34.83 37.56 1uk4 s MET 165 CO 0.00 -0.19 1.63 0.39 -0.01 0.00 0.00 175.02 176.85 1uk4 n GLU 166 N 0.01 2.64 0.00 2.03 4.71 -1.26 -2.52 120.64 126.24 1uk4 n GLU 166 Ca -0.10 -3.47 0.00 0.00 -0.01 0.00 0.00 57.16 53.58 1uk4 n GLU 166 Cb 0.62 -2.14 0.00 0.00 -1.01 0.00 0.00 31.44 28.91 1uk4 n GLU 166 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1uk4 n LEU 167 N -0.95 0.00 -4.55 -4.62 7.94 -1.24 -4.54 117.00 109.03 1uk4 n LEU 167 Ca 0.49 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 55.25 1uk4 n LEU 167 Cb 0.98 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.84 1uk4 n LEU 167 CO 0.49 0.00 1.26 -2.65 -1.11 0.00 0.00 177.39 175.38 1uk4 n PRO 168 N 0.00 0.49 0.00 1.96 -0.02 -1.26 -2.50 135.00 133.67 1uk4 n PRO 168 Ca 0.00 -0.85 0.00 0.00 -2.02 0.00 0.00 63.50 60.63 1uk4 n PRO 168 Cb 0.00 -3.53 0.00 0.00 -0.02 0.00 0.00 33.50 29.95 1uk4 n PRO 168 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1uk4 n THR 169 N 8.59 0.00 -4.81 3.45 -1.04 -1.26 -4.94 114.28 114.27 1uk4 n THR 169 Ca 0.48 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.49 1uk4 n THR 169 Cb 0.41 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 1uk4 n THR 169 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1uk4 n GLY 170 N 0.00 0.22 1.11 3.41 0.00 -1.04 -4.98 105.19 103.90 1uk4 n GLY 170 Ca 0.00 -0.95 0.11 0.00 0.00 0.00 0.00 46.02 45.19 1uk4 n GLY 170 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1uk4 n VAL 171 N -0.26 -0.44 -4.13 1.61 0.24 -1.26 -4.44 118.33 109.65 1uk4 n VAL 171 Ca 0.00 0.52 -0.15 0.00 -2.04 0.00 0.00 64.34 62.68 1uk4 n VAL 171 Cb 0.00 -0.83 -0.11 0.00 -1.47 0.00 0.00 33.84 31.42 1uk4 n VAL 171 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1uk4 s HIS 172 N -4.20 0.95 0.03 6.34 0.09 -0.65 -3.65 115.29 114.21 1uk4 s HIS 172 Ca 0.00 -0.54 0.07 0.00 -0.00 0.00 0.00 55.06 54.58 1uk4 s HIS 172 Cb 0.00 -0.54 -0.03 0.00 -0.00 0.00 0.00 32.58 32.01 1uk4 s HIS 172 CO 0.00 -0.02 -0.17 0.00 -0.00 0.00 0.00 174.74 174.55 1uk4 s ALA 173 N -1.70 2.65 0.00 -1.40 0.00 -1.05 -1.36 121.76 118.90 1uk4 s ALA 173 Ca -0.03 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.76 1uk4 s ALA 173 Cb -0.08 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.25 1uk4 s ALA 173 CO 0.01 0.58 0.00 0.41 0.00 0.00 0.00 175.76 176.75 1uk4 n GLY 174 N 1.56 4.04 3.42 0.00 0.00 -1.26 -1.71 105.19 111.24 1uk4 n GLY 174 Ca -0.16 -1.44 -0.21 0.00 0.00 0.00 0.00 46.02 44.21 1uk4 n GLY 174 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uk4 s THR 175 N -1.90 1.52 0.63 2.61 2.01 -0.14 -1.15 115.64 119.23 1uk4 s THR 175 Ca 0.00 -2.10 -0.01 0.00 0.31 0.00 0.00 61.69 59.89 1uk4 s THR 175 Cb 0.00 -2.46 0.06 0.00 0.01 0.00 0.00 72.50 70.11 1uk4 s THR 175 CO 0.00 -0.28 0.89 1.51 -0.69 0.00 0.00 174.62 176.04 1uk4 s ASP 176 N -3.43 4.93 0.00 3.53 1.47 -0.69 -0.76 116.67 121.73 1uk4 s ASP 176 Ca 0.30 0.03 0.00 0.00 1.18 0.00 0.00 52.55 54.06 1uk4 s ASP 176 Cb 0.04 -0.74 0.00 0.00 -0.34 0.00 0.00 42.92 41.88 1uk4 s ASP 176 CO 0.12 -1.43 0.31 0.18 0.68 0.00 0.00 175.17 175.03 1uk4 n LEU 177 N -2.61 0.71 0.00 2.11 7.99 -1.26 -1.11 117.00 122.83 1uk4 n LEU 177 Ca 0.10 -0.35 0.00 0.00 -0.01 0.00 0.00 56.01 55.74 1uk4 n LEU 177 Cb 0.60 -0.27 0.00 0.00 -0.11 0.00 0.00 43.42 43.64 1uk4 n LEU 177 CO 0.46 0.16 0.25 1.21 -1.51 0.00 0.00 177.39 177.96 1uk4 n GLU 178 N 0.31 0.10 0.00 3.23 2.13 -1.26 -5.02 120.64 120.13 1uk4 n GLU 178 Ca 0.00 -0.61 0.00 0.00 0.66 0.00 0.00 57.16 57.21 1uk4 n GLU 178 Cb 0.16 -0.87 0.00 0.00 0.27 0.00 0.00 31.44 31.00 1uk4 n GLU 178 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1uk4 n GLY 179 N -0.10 2.29 3.70 8.31 0.00 -0.26 -4.58 105.19 114.54 1uk4 n GLY 179 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.58 4.44 0.65 1.61 1.02 -1.26 -2.33 119.74 123.29 1uk4 s LYS 180 Ca 0.00 1.62 -0.17 0.00 0.02 0.00 0.00 55.97 57.44 1uk4 s LYS 180 Cb 0.00 -3.45 -0.01 0.00 -0.52 0.00 0.00 37.83 33.85 1uk4 s LYS 180 CO 0.00 -0.26 1.21 -0.06 -0.92 0.00 0.00 175.35 175.32 1uk4 s PHE 181 N 1.46 2.27 -0.29 3.18 0.40 -1.26 -1.70 117.98 122.04 1uk4 s PHE 181 Ca 0.55 1.54 -0.12 0.00 -0.60 0.00 0.00 56.93 58.31 1uk4 s PHE 181 Cb -0.25 -3.47 -0.04 0.00 0.51 0.00 0.00 43.02 39.77 1uk4 s PHE 181 CO 0.26 -2.37 0.21 0.71 0.70 0.00 0.00 175.22 174.73 1uk4 s TYR 182 N -1.77 3.22 0.00 0.36 2.02 -0.30 -4.88 117.35 116.01 1uk4 s TYR 182 Ca 0.76 0.10 0.00 0.00 -0.37 0.00 0.00 57.07 57.56 1uk4 s TYR 182 Cb -0.30 -2.41 0.00 0.00 -0.40 0.00 0.00 41.96 38.85 1uk4 s TYR 182 CO 0.38 -0.19 0.00 0.41 -1.57 0.00 0.00 175.55 174.58 1uk4 n GLY 183 N 5.03 -0.27 1.72 0.71 0.00 -1.26 -4.54 105.19 106.58 1uk4 n GLY 183 Ca -0.13 -1.78 -0.03 0.00 0.00 0.00 0.00 46.02 44.08 1uk4 n GLY 183 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uk4 n PRO 184 N -0.23 1.13 -4.21 1.61 -0.04 -1.26 -4.90 135.00 127.10 1uk4 n PRO 184 Ca 0.00 -0.26 -0.23 0.00 -0.04 0.00 0.00 63.50 62.97 1uk4 n PRO 184 Cb 0.00 -1.33 -0.06 0.00 -0.04 0.00 0.00 33.50 32.07 1uk4 n PRO 184 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1uk4 s PHE 185 N 0.57 2.89 0.09 0.54 0.08 -1.26 -5.04 117.98 115.85 1uk4 s PHE 185 Ca 0.17 -0.16 0.02 0.00 0.12 0.00 0.00 56.93 57.08 1uk4 s PHE 185 Cb 0.08 -1.31 -0.04 0.00 -0.57 0.00 0.00 43.02 41.19 1uk4 s PHE 185 CO 0.00 0.57 -0.07 0.14 -0.10 0.00 0.00 175.22 175.76 1uk4 s VAL 186 N -2.15 0.71 -0.57 -0.44 -7.23 -1.26 -4.86 120.40 104.60 1uk4 s VAL 186 Ca 0.31 -1.80 -0.16 0.00 -1.81 0.00 0.00 61.98 58.52 1uk4 s VAL 186 Cb -0.07 -1.52 -0.15 0.00 0.56 0.00 0.00 36.38 35.20 1uk4 s VAL 186 CO 0.22 -0.78 1.79 0.47 -0.31 0.00 0.00 175.10 176.49 1uk4 n ASP 187 N 0.20 2.54 -3.69 4.85 10.43 -1.26 -4.84 116.55 124.78 1uk4 n ASP 187 Ca -0.14 -2.46 -0.14 0.00 2.57 0.00 0.00 54.79 54.62 1uk4 n ASP 187 Cb 0.60 -0.92 -0.08 0.00 1.84 0.00 0.00 41.12 42.56 1uk4 n ASP 187 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 1uk4 s ARG 188 N 4.94 0.68 0.00 -1.24 3.52 -1.26 -4.88 118.95 120.72 1uk4 s ARG 188 Ca 0.47 0.38 -0.03 0.00 -0.13 0.00 0.00 55.73 56.42 1uk4 s ARG 188 Cb 0.12 0.32 -0.16 0.00 -1.56 0.00 0.00 34.95 33.67 1uk4 s ARG 188 CO 0.10 -0.14 2.60 1.04 -0.81 0.00 0.00 175.30 178.09 1uk4 n GLN 189 N 2.07 1.37 -4.90 5.12 1.13 0.73 -4.83 117.38 118.09 1uk4 n GLN 189 Ca -0.17 -0.57 -0.32 0.00 -1.94 0.00 0.00 57.00 54.00 1uk4 n GLN 189 Cb 0.56 -1.68 -0.17 0.00 0.11 0.00 0.00 30.24 29.07 1uk4 n GLN 189 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1uk4 s THR 190 N 1.13 2.05 -0.31 5.09 -4.23 -1.26 -4.83 115.64 113.28 1uk4 s THR 190 Ca 0.38 -0.99 -0.28 0.00 -1.18 0.00 0.00 61.69 59.62 1uk4 s THR 190 Cb 0.18 -1.80 -0.12 0.00 1.34 0.00 0.00 72.50 72.11 1uk4 s THR 190 CO 0.00 0.55 1.21 0.00 -0.54 0.00 0.00 174.62 175.85 1uk4 n ALA 191 N 3.84 -0.18 -2.70 3.99 0.00 -1.26 -4.93 120.51 119.27 1uk4 n ALA 191 Ca -0.20 0.18 -0.18 0.00 0.00 0.00 0.00 53.44 53.24 1uk4 n ALA 191 Cb 0.52 -1.25 -0.14 0.00 0.00 0.00 0.00 19.45 18.58 1uk4 n ALA 191 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1uk4 s GLN 192 N 3.11 0.75 0.11 0.00 -0.21 -1.26 -5.16 119.66 117.01 1uk4 s GLN 192 Ca 0.71 -0.53 0.08 0.00 0.02 0.00 0.00 55.36 55.64 1uk4 s GLN 192 Cb -0.93 -0.71 -0.04 0.00 1.00 0.00 0.00 33.01 32.34 1uk4 s GLN 192 CO 0.44 0.18 -0.14 0.00 -2.12 0.00 0.00 175.29 173.65 1uk4 s ALA 193 N -0.60 2.83 -0.07 6.09 0.00 -1.26 -4.57 121.76 124.17 1uk4 s ALA 193 Ca 0.01 -1.30 -0.29 0.00 0.00 0.00 0.00 51.96 50.38 1uk4 s ALA 193 Cb -0.06 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 1uk4 s ALA 193 CO 0.00 0.62 0.96 0.00 0.00 0.00 0.00 175.76 177.34 1uk4 s ALA 194 N -1.19 3.32 1.18 0.00 0.00 -1.26 -5.02 121.76 118.78 1uk4 s ALA 194 Ca 0.20 0.39 -0.16 0.00 0.00 0.00 0.00 51.96 52.39 1uk4 s ALA 194 Cb -0.11 -3.34 0.23 0.00 0.00 0.00 0.00 23.12 19.90 1uk4 s ALA 194 CO 0.12 -0.43 0.59 0.41 0.00 0.00 0.00 175.76 176.45 1uk4 n GLY 195 N 3.05 -2.34 3.72 0.00 0.00 -1.26 -4.87 105.19 103.50 1uk4 n GLY 195 Ca 0.07 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 1uk4 n GLY 195 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1uk4 n THR 196 N -4.83 2.03 -4.29 2.61 -1.04 -1.26 -4.82 114.28 102.67 1uk4 n THR 196 Ca 0.01 -0.50 -0.24 0.00 -2.04 0.00 0.00 64.05 61.29 1uk4 n THR 196 Cb 0.58 -1.68 -0.08 0.00 -1.82 0.00 0.00 70.33 67.33 1uk4 n THR 196 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1uk4 s ASP 197 N -0.27 4.50 0.28 8.00 3.68 -1.26 -4.41 116.67 127.18 1uk4 s ASP 197 Ca 0.55 -0.63 0.02 0.00 2.13 0.00 0.00 52.55 54.63 1uk4 s ASP 197 Cb -0.54 -0.83 -0.06 0.00 -1.45 0.00 0.00 42.92 40.05 1uk4 s ASP 197 CO 0.63 0.02 0.07 0.42 0.13 0.00 0.00 175.17 176.44 1uk4 s THR 198 N -2.20 0.83 0.23 1.71 -4.23 -1.26 -5.02 115.64 105.71 1uk4 s THR 198 Ca 0.30 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.64 1uk4 s THR 198 Cb -0.07 -2.67 -0.08 0.00 1.34 0.00 0.00 72.50 71.02 1uk4 s THR 198 CO 0.19 -0.03 0.68 -0.89 -0.54 0.00 0.00 174.62 174.03 1uk4 s THR 199 N -3.56 4.68 -1.12 3.99 2.01 -0.80 -4.64 115.64 116.20 1uk4 s THR 199 Ca 0.37 1.06 -0.18 0.00 0.31 0.00 0.00 61.69 63.24 1uk4 s THR 199 Cb 0.08 -3.76 0.11 0.00 0.01 0.00 0.00 72.50 68.94 1uk4 s THR 199 CO 0.14 0.11 1.44 -0.63 -0.69 0.00 0.00 174.62 174.99 1uk4 s ILE 200 N -1.64 4.47 0.27 1.82 1.01 -1.26 -1.08 121.20 124.79 1uk4 s ILE 200 Ca 0.45 -1.77 -0.02 0.00 0.00 0.00 0.00 60.65 59.31 1uk4 s ILE 200 Cb -0.14 -4.99 0.29 0.00 0.01 0.00 0.00 42.46 37.63 1uk4 s ILE 200 CO 0.20 -1.77 1.65 0.74 0.00 0.00 0.00 174.94 175.75 1uk4 h THR 201 N 5.67 0.34 -0.24 2.92 2.02 -1.93 -1.20 112.91 120.48 1uk4 h THR 201 Ca 0.28 -0.06 0.05 0.00 0.77 0.00 0.00 66.41 67.46 1uk4 h THR 201 Cb 0.94 0.15 -0.06 0.00 -1.74 0.00 0.00 68.15 67.44 1uk4 h THR 201 CO 1.31 0.03 -0.12 0.25 0.37 0.00 0.00 175.52 177.36 1uk4 h LEU 202 N 0.18 -0.39 -0.86 2.58 5.85 -1.90 -2.47 115.31 118.31 1uk4 h LEU 202 Ca 0.49 0.09 -0.08 0.00 0.84 0.00 0.00 57.88 59.22 1uk4 h LEU 202 Cb 0.93 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 1uk4 h LEU 202 CO -0.65 -0.15 -0.02 0.78 -0.34 0.00 0.00 178.44 178.06 1uk4 h ASN 203 N -0.09 0.80 -0.31 1.25 2.35 -1.46 -2.57 115.58 115.55 1uk4 h ASN 203 Ca 0.13 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 1uk4 h ASN 203 Cb 0.28 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1uk4 h ASN 203 CO -0.30 0.88 0.14 0.58 -1.65 0.00 0.00 177.43 177.08 1uk4 h VAL 204 N 0.76 1.14 -0.21 2.81 2.07 -1.01 0.10 116.25 121.91 1uk4 h VAL 204 Ca 0.14 -0.45 -0.14 0.00 0.82 0.00 0.00 66.70 67.08 1uk4 h VAL 204 Cb 0.49 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1uk4 h VAL 204 CO 0.02 0.17 -0.39 -0.07 0.02 0.00 0.00 177.57 177.32 1uk4 h LEU 205 N 0.51 0.72 -1.22 2.57 3.38 -1.22 -1.85 115.31 118.20 1uk4 h LEU 205 Ca 0.13 -0.54 0.03 0.00 0.09 0.00 0.00 57.88 57.59 1uk4 h LEU 205 Cb 0.11 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 1uk4 h LEU 205 CO -0.01 1.12 0.54 0.00 0.09 0.00 0.00 178.44 180.18 1uk4 h ALA 206 N 0.62 1.49 -0.05 1.53 0.00 -0.95 -1.11 119.26 120.79 1uk4 h ALA 206 Ca 0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1uk4 h ALA 206 Cb 0.99 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1uk4 h ALA 206 CO 0.09 0.43 0.02 2.35 0.00 0.00 0.00 179.25 182.14 1uk4 h TRP 207 N 1.03 0.07 -0.79 0.00 7.01 -0.65 -1.31 115.95 121.31 1uk4 h TRP 207 Ca 0.32 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.37 1uk4 h TRP 207 Cb 0.02 -0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 27.00 1uk4 h TRP 207 CO -0.00 0.18 0.48 -0.07 -2.79 0.00 0.00 178.44 176.24 1uk4 h LEU 208 N -0.06 0.75 -1.09 0.65 3.38 -0.62 -0.61 115.31 117.71 1uk4 h LEU 208 Ca 0.02 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1uk4 h LEU 208 Cb 0.14 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1uk4 h LEU 208 CO -0.00 0.49 0.61 1.88 0.09 0.00 0.00 178.44 181.51 1uk4 h TYR 209 N 0.89 1.16 -0.59 1.13 0.05 -0.94 -1.55 116.97 117.11 1uk4 h TYR 209 Ca 0.34 0.03 0.01 0.00 0.05 0.00 0.00 58.73 59.16 1uk4 h TYR 209 Cb 0.14 -0.39 -0.03 0.00 1.01 0.00 0.00 36.73 37.46 1uk4 h TYR 209 CO -0.04 0.71 0.38 0.00 -1.05 0.00 0.00 178.16 178.16 1uk4 h ALA 210 N 1.43 0.75 -0.38 3.88 0.00 0.04 0.32 119.26 125.30 1uk4 h ALA 210 Ca 0.35 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1uk4 h ALA 210 Cb -0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1uk4 h ALA 210 CO -0.08 0.15 0.11 0.00 0.00 0.00 0.00 179.25 179.43 1uk4 h ALA 211 N 1.23 1.48 -0.15 0.00 0.00 -0.51 0.67 119.26 121.98 1uk4 h ALA 211 Ca 0.22 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1uk4 h ALA 211 Cb -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1uk4 h ALA 211 CO -0.06 0.39 -0.36 0.28 0.00 0.00 0.00 179.25 179.50 1uk4 h VAL 212 N 0.54 1.35 0.00 0.00 2.07 -0.28 0.46 116.25 120.40 1uk4 h VAL 212 Ca 0.13 -1.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.00 1uk4 h VAL 212 Cb 0.18 2.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1uk4 h VAL 212 CO -0.01 0.49 -0.15 0.40 0.02 0.00 0.00 177.57 178.33 1uk4 h ILE 213 N 0.14 0.91 -0.35 4.57 2.04 -0.06 -1.30 117.51 123.46 1uk4 h ILE 213 Ca -0.00 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1uk4 h ILE 213 Cb 0.96 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1uk4 h ILE 213 CO 0.08 0.14 0.00 0.59 0.00 0.00 0.00 178.15 178.96 1uk4 n ASN 214 N -4.07 1.85 -0.08 1.72 3.02 0.20 -4.92 115.26 112.98 1uk4 n ASN 214 Ca -0.02 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 52.53 1uk4 n ASN 214 Cb 0.23 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 1.05 0.96 3.10 7.41 0.00 -0.49 -5.02 105.19 112.20 1uk4 n GLY 215 Ca 0.12 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.64 2.35 0.00 1.61 -1.08 0.16 -4.99 116.67 112.08 1uk4 s ASP 216 Ca 0.00 -0.41 0.00 0.00 -0.52 0.00 0.00 52.55 51.62 1uk4 s ASP 216 Cb 0.00 -1.08 0.00 0.00 -1.46 0.00 0.00 42.92 40.38 1uk4 s ASP 216 CO 0.00 0.07 0.07 0.54 0.52 0.00 0.00 175.17 176.37 1uk4 n ARG 217 N 3.79 0.57 -0.15 4.34 1.74 -1.26 -3.32 116.66 122.37 1uk4 n ARG 217 Ca -0.21 -0.07 0.28 0.00 -0.77 0.00 0.00 57.85 57.08 1uk4 n ARG 217 Cb 0.52 -0.41 0.72 0.00 -1.02 0.00 0.00 32.46 32.27 1uk4 n ARG 217 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 1uk4 h TRP 218 N 0.00 0.00 -0.00 -1.55 5.08 -1.98 -1.94 115.95 115.56 1uk4 h TRP 218 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1uk4 h TRP 218 Cb 0.22 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.38 1uk4 h TRP 218 CO 0.00 0.00 -0.10 1.97 -1.28 0.00 0.00 178.44 179.03 1uk4 n PHE 219 N -4.12 0.00 -1.62 0.12 1.16 -1.26 -4.90 117.46 106.83 1uk4 n PHE 219 Ca 0.18 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.44 1uk4 n PHE 219 Cb 0.96 -0.22 0.05 0.00 -1.61 0.00 0.00 39.48 38.66 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 -2.54 3.17 0.32 5.98 1.43 -0.73 -4.76 118.68 121.57 1uk4 s LEU 220 Ca 0.28 1.65 0.03 0.00 -1.03 0.00 0.00 54.13 55.05 1uk4 s LEU 220 Cb 0.20 -4.50 -0.02 0.00 0.03 0.00 0.00 46.19 41.90 1uk4 s LEU 220 CO 0.48 -1.42 0.35 0.54 0.23 0.00 0.00 176.35 176.53 1uk4 s ASN 221 N -3.66 1.24 0.00 2.29 2.20 -1.26 -5.04 114.94 110.71 1uk4 s ASN 221 Ca 0.59 -1.61 0.31 0.00 -0.94 0.00 0.00 52.86 51.20 1uk4 s ASN 221 Cb -0.14 0.59 1.67 0.00 -2.00 0.00 0.00 41.25 41.37 1uk4 s ASN 221 CO 0.53 -1.14 2.11 -2.11 -2.94 0.00 0.00 177.10 173.55 1uk4 n ARG 222 N -0.57 0.85 -2.63 3.55 1.85 -1.26 -4.91 116.66 113.53 1uk4 n ARG 222 Ca 0.04 -0.08 -0.23 0.00 -1.00 0.00 0.00 57.85 56.58 1uk4 n ARG 222 Cb 0.62 -1.50 0.10 0.00 -1.05 0.00 0.00 32.46 30.64 1uk4 n ARG 222 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1uk4 s PHE 223 N -2.21 1.55 0.23 2.89 2.99 -1.26 -5.13 117.98 117.04 1uk4 s PHE 223 Ca 0.40 -0.33 -0.14 0.00 0.00 0.00 0.00 56.93 56.86 1uk4 s PHE 223 Cb 0.21 -2.91 0.01 0.00 0.00 0.00 0.00 43.02 40.33 1uk4 s PHE 223 CO 0.40 -1.66 0.49 -0.08 -0.00 0.00 0.00 175.22 174.38 1uk4 s THR 224 N -3.10 0.01 0.15 0.64 -1.32 -1.26 -4.77 115.64 106.00 1uk4 s THR 224 Ca 0.66 -1.22 -0.16 0.00 -1.21 0.00 0.00 61.69 59.76 1uk4 s THR 224 Cb -0.05 -2.00 0.03 0.00 -1.51 0.00 0.00 72.50 68.97 1uk4 s THR 224 CO 0.44 -0.06 0.44 -0.89 -2.21 0.00 0.00 174.62 172.34 1uk4 s THR 225 N -3.97 0.05 0.34 5.08 2.01 -1.23 -4.90 115.64 113.02 1uk4 s THR 225 Ca 0.18 -0.65 -0.01 0.00 0.31 0.00 0.00 61.69 61.51 1uk4 s THR 225 Cb -0.01 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 1uk4 s THR 225 CO 0.05 -0.24 0.56 0.42 -0.69 0.00 0.00 174.62 174.72 1uk4 s THR 226 N -3.83 5.08 0.18 -0.82 -4.23 -1.26 -4.79 115.64 105.96 1uk4 s THR 226 Ca 0.06 -0.27 -0.16 0.00 -1.18 0.00 0.00 61.69 60.13 1uk4 s THR 226 Cb 0.01 -3.82 0.13 0.00 1.34 0.00 0.00 72.50 70.16 1uk4 s THR 226 CO -0.09 -0.51 1.66 0.25 -0.54 0.00 0.00 174.62 175.40 1uk4 h LEU 227 N 1.00 -0.39 0.00 4.79 5.85 -1.97 -1.78 115.31 122.81 1uk4 h LEU 227 Ca -0.49 0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.39 1uk4 h LEU 227 Cb 1.21 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.48 1uk4 h LEU 227 CO 0.63 -0.14 -0.15 -1.13 -0.34 0.00 0.00 178.44 177.31 1uk4 h ASN 228 N 0.02 -0.42 -0.30 1.25 -1.24 -1.94 -1.46 115.58 111.49 1uk4 h ASN 228 Ca 0.23 0.06 -0.03 0.00 0.71 0.00 0.00 56.30 57.27 1uk4 h ASN 228 Cb 0.35 0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.56 1uk4 h ASN 228 CO -0.47 -0.20 0.10 0.44 -1.29 0.00 0.00 177.43 176.01 1uk4 h ASP 229 N -0.24 0.48 -0.10 1.15 3.45 -1.90 -1.66 116.42 117.61 1uk4 h ASP 229 Ca 0.05 -0.06 -0.01 0.00 0.43 0.00 0.00 57.03 57.44 1uk4 h ASP 229 Cb 0.31 -0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 38.95 1uk4 h ASP 229 CO -0.14 0.48 0.03 0.15 -1.57 0.00 0.00 179.24 178.19 1uk4 h PHE 230 N 0.53 0.15 -0.70 4.55 3.57 -0.81 -3.10 116.94 121.13 1uk4 h PHE 230 Ca 0.13 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1uk4 h PHE 230 Cb 0.18 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 1uk4 h PHE 230 CO 0.01 0.29 0.42 -0.91 -2.23 0.00 0.00 178.31 175.88 1uk4 h ASN 231 N -0.02 0.85 -0.57 0.41 2.35 -0.85 -0.41 115.58 117.33 1uk4 h ASN 231 Ca 0.03 -0.06 0.17 0.00 -0.55 0.00 0.00 56.30 55.88 1uk4 h ASN 231 Cb 0.20 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 1uk4 h ASN 231 CO -0.00 0.66 0.50 -0.07 -1.65 0.00 0.00 177.43 176.87 1uk4 h LEU 232 N 0.96 0.00 0.00 1.61 3.38 -1.25 0.74 115.31 120.76 1uk4 h LEU 232 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1uk4 h LEU 232 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1uk4 h LEU 232 CO -0.05 0.00 -0.41 0.52 0.09 0.00 0.00 178.44 178.60 1uk4 n VAL 233 N -3.98 1.14 -0.30 1.22 0.31 -0.65 -4.32 118.33 111.75 1uk4 n VAL 233 Ca 0.11 0.27 0.25 0.00 -0.01 0.00 0.00 64.34 64.96 1uk4 n VAL 233 Cb 0.72 -2.22 0.56 0.00 -0.91 0.00 0.00 33.84 31.99 1uk4 n VAL 233 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1uk4 h ALA 234 N -1.19 2.40 0.00 3.52 0.00 -0.91 0.19 119.26 123.26 1uk4 h ALA 234 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1uk4 h ALA 234 Cb 0.41 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1uk4 h ALA 234 CO 0.00 -0.77 0.00 -1.33 0.00 0.00 0.00 179.25 177.15 1uk4 n MET 235 N -4.53 0.11 0.09 0.00 2.81 0.24 -1.81 117.12 114.03 1uk4 n MET 235 Ca 0.24 0.33 -0.01 0.00 -1.81 0.00 0.00 57.70 56.44 1uk4 n MET 235 Cb 0.92 -1.71 -0.05 0.00 -0.71 0.00 0.00 33.22 31.67 1uk4 n MET 235 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1uk4 h LYS 236 N 0.00 0.00 -0.65 0.03 1.57 -0.81 -3.26 116.57 113.45 1uk4 h LYS 236 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1uk4 h LYS 236 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1uk4 h LYS 236 CO 0.00 0.61 0.00 0.66 -0.57 0.00 0.00 179.45 180.15 1uk4 n TYR 237 N -3.19 1.17 -1.25 -1.35 4.02 -0.75 -4.93 117.16 110.89 1uk4 n TYR 237 Ca -0.02 -0.50 -0.02 0.00 -0.01 0.00 0.00 57.90 57.35 1uk4 n TYR 237 Cb 0.84 -0.15 -0.01 0.00 -0.02 0.00 0.00 39.34 40.00 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 1.14 -2.95 -4.78 7.72 5.15 -1.16 -4.91 115.26 115.46 1uk4 n ASN 238 Ca 0.23 0.05 -0.39 0.00 -0.60 0.00 0.00 54.58 53.86 1uk4 n ASN 238 Cb 0.72 -0.98 -0.06 0.00 -0.53 0.00 0.00 39.78 38.93 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 -2.09 3.89 0.29 1.20 1.51 -0.77 -1.90 117.35 119.49 1uk4 s TYR 239 Ca 0.00 1.59 -0.29 0.00 -1.01 0.00 0.00 57.07 57.36 1uk4 s TYR 239 Cb 0.00 -2.73 -0.13 0.00 -0.11 0.00 0.00 41.96 38.98 1uk4 s TYR 239 CO 0.00 0.52 1.20 0.39 -1.11 0.00 0.00 175.55 176.55 1uk4 n GLU 240 N 1.64 1.75 -1.88 -0.62 -0.58 -0.24 -4.39 120.64 116.31 1uk4 n GLU 240 Ca -0.06 0.62 -0.39 0.00 -0.42 0.00 0.00 57.16 56.90 1uk4 n GLU 240 Cb 0.49 -2.13 0.01 0.00 -0.57 0.00 0.00 31.44 29.25 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 -1.38 3.70 -0.09 3.49 0.02 -1.26 -4.57 135.00 134.90 1uk4 s PRO 241 Ca 0.60 2.31 -0.11 0.00 0.02 0.00 0.00 61.00 63.82 1uk4 s PRO 241 Cb -0.65 -2.63 -0.05 0.00 0.02 0.00 0.00 34.50 31.19 1uk4 s PRO 241 CO 0.58 -0.77 0.25 -1.17 -0.33 0.00 0.00 177.00 175.57 1uk4 s LEU 242 N -2.74 4.38 0.37 -5.54 2.96 -1.26 -4.99 118.68 111.86 1uk4 s LEU 242 Ca 0.61 0.62 0.08 0.00 -0.22 0.00 0.00 54.13 55.23 1uk4 s LEU 242 Cb -0.41 -2.29 -0.06 0.00 0.50 0.00 0.00 46.19 43.92 1uk4 s LEU 242 CO 0.53 0.31 -0.01 0.42 -1.32 0.00 0.00 176.35 176.28 1uk4 s THR 243 N -0.70 2.29 0.30 3.68 -4.23 -1.26 -4.97 115.64 110.75 1uk4 s THR 243 Ca 0.18 -2.04 0.02 0.00 -1.18 0.00 0.00 61.69 58.66 1uk4 s THR 243 Cb -0.14 -2.81 0.29 0.00 1.34 0.00 0.00 72.50 71.17 1uk4 s THR 243 CO 0.07 -0.13 1.89 -0.61 -0.54 0.00 0.00 174.62 175.30 1uk4 h GLN 244 N 1.84 0.96 -0.57 3.99 5.75 -1.99 -0.75 115.11 124.34 1uk4 h GLN 244 Ca -0.43 -0.06 0.06 0.00 -0.15 0.00 0.00 58.65 58.07 1uk4 h GLN 244 Cb 1.25 -0.22 -0.05 0.00 1.07 0.00 0.00 27.48 29.53 1uk4 h GLN 244 CO 0.72 0.64 0.29 -0.44 -2.65 0.00 0.00 178.83 177.39 1uk4 h ASP 245 N 0.99 0.40 -0.30 -0.69 5.19 -1.99 0.98 116.42 121.00 1uk4 h ASP 245 Ca 0.42 0.04 0.02 0.00 -0.62 0.00 0.00 57.03 56.89 1uk4 h ASP 245 Cb 0.32 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.76 1uk4 h ASP 245 CO -0.18 0.27 0.15 0.45 -3.12 0.00 0.00 179.24 176.81 1uk4 h HIS 246 N 0.54 0.27 -0.44 4.55 3.86 -1.56 -1.85 115.15 120.52 1uk4 h HIS 246 Ca 0.26 0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.53 1uk4 h HIS 246 Cb 0.19 -0.08 -0.05 0.00 1.06 0.00 0.00 27.41 28.53 1uk4 h HIS 246 CO -0.10 0.15 0.18 0.28 0.86 0.00 0.00 177.93 179.30 1uk4 h VAL 247 N 0.31 0.90 -0.02 2.45 2.07 -0.72 -2.28 116.25 118.95 1uk4 h VAL 247 Ca 0.12 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1uk4 h VAL 247 Cb 0.04 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 1uk4 h VAL 247 CO -0.08 0.07 -0.23 0.44 0.02 0.00 0.00 177.57 177.78 1uk4 h ASP 248 N 0.37 -0.70 -0.79 0.57 3.32 -0.38 -2.17 116.42 116.64 1uk4 h ASP 248 Ca 0.20 0.10 0.18 0.00 0.02 0.00 0.00 57.03 57.53 1uk4 h ASP 248 Cb 0.17 0.29 -0.14 0.00 0.22 0.00 0.00 39.33 39.87 1uk4 h ASP 248 CO -0.19 -0.30 -0.06 0.40 -1.72 0.00 0.00 179.24 177.38 1uk4 h ILE 249 N -0.36 0.26 0.00 0.35 2.04 -0.84 1.47 117.51 120.44 1uk4 h ILE 249 Ca 0.07 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.91 1uk4 h ILE 249 Cb 0.45 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1uk4 h ILE 249 CO -0.22 0.01 0.00 0.18 0.00 0.00 0.00 178.15 178.12 1uk4 n LEU 250 N -5.41 0.00 -0.07 1.44 4.77 -0.82 -4.00 117.00 112.90 1uk4 n LEU 250 Ca 0.14 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.06 1uk4 n LEU 250 Cb 0.48 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 1uk4 n LEU 250 CO 0.01 0.00 0.50 1.23 -1.33 0.00 0.00 177.39 177.80 1uk4 h GLY 251 N 1.15 -1.61 0.50 -0.72 0.00 0.21 -1.57 103.07 101.03 1uk4 h GLY 251 Ca 0.00 0.81 0.02 0.00 0.00 0.00 0.00 47.33 48.16 1uk4 h GLY 251 CO 0.00 -0.50 -0.28 -2.55 0.00 0.00 0.00 176.54 173.21 1uk4 h PRO 252 N -0.15 -0.46 -0.67 4.80 0.11 -1.80 -1.99 132.00 131.84 1uk4 h PRO 252 Ca 0.03 0.03 0.14 0.00 0.11 0.00 0.00 66.00 66.32 1uk4 h PRO 252 Cb 0.23 0.11 -0.12 0.00 0.11 0.00 0.00 31.00 31.33 1uk4 h PRO 252 CO -0.26 -0.31 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.10 1uk4 h LEU 253 N -0.48 -0.41 -0.25 2.35 3.38 -1.82 0.16 115.31 118.25 1uk4 h LEU 253 Ca 0.04 0.18 0.04 0.00 0.09 0.00 0.00 57.88 58.23 1uk4 h LEU 253 Cb 0.52 0.34 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 1uk4 h LEU 253 CO -0.17 -0.17 -0.02 -1.28 0.09 0.00 0.00 178.44 176.89 1uk4 h SER 254 N 0.07 -0.14 -0.36 -0.43 0.87 -1.02 -0.28 113.55 112.26 1uk4 h SER 254 Ca 0.35 0.06 0.05 0.00 -1.23 0.00 0.00 61.79 61.02 1uk4 h SER 254 Cb 0.57 0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.60 1uk4 h SER 254 CO -0.62 -0.04 0.08 0.00 -0.53 0.00 0.00 176.83 175.72 1uk4 h ALA 255 N 1.22 0.39 -0.41 6.23 0.00 -0.18 0.16 119.26 126.66 1uk4 h ALA 255 Ca 0.12 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1uk4 h ALA 255 Cb 0.16 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1uk4 h ALA 255 CO -0.22 -0.32 0.25 0.37 0.00 0.00 0.00 179.25 179.33 1uk4 h GLN 256 N 0.21 0.56 0.00 0.00 4.15 -0.13 -3.03 115.11 116.86 1uk4 h GLN 256 Ca 0.17 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1uk4 h GLN 256 Cb 0.19 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.76 1uk4 h GLN 256 CO -0.22 0.41 -0.29 0.25 -1.93 0.00 0.00 178.83 177.05 1uk4 n THR 257 N -4.76 0.03 -1.25 2.39 -2.24 -0.18 -4.94 114.28 103.35 1uk4 n THR 257 Ca 0.01 -0.02 -0.08 0.00 -2.27 0.00 0.00 64.05 61.68 1uk4 n THR 257 Cb 0.05 -0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.15 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 1.49 1.02 3.28 3.38 0.00 0.54 -5.00 105.19 109.90 1uk4 n GLY 258 Ca 0.06 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.25 2.58 0.30 -0.61 1.01 -1.10 -5.04 121.20 116.08 1uk4 s ILE 259 Ca 0.00 -0.82 -0.29 0.00 0.00 0.00 0.00 60.65 59.54 1uk4 s ILE 259 Cb 0.00 -2.05 -0.10 0.00 0.01 0.00 0.00 42.46 40.32 1uk4 s ILE 259 CO 0.00 0.53 1.20 0.00 0.00 0.00 0.00 174.94 176.67 1uk4 s ALA 260 N 0.49 3.45 0.22 9.38 0.00 -1.26 -4.46 121.76 129.57 1uk4 s ALA 260 Ca -0.12 1.07 -0.10 0.00 0.00 0.00 0.00 51.96 52.81 1uk4 s ALA 260 Cb -0.16 -3.40 0.33 0.00 0.00 0.00 0.00 23.12 19.88 1uk4 s ALA 260 CO 0.05 -0.39 1.65 0.28 0.00 0.00 0.00 175.76 177.35 1uk4 h VAL 261 N 3.08 0.43 0.00 0.00 2.07 -1.94 0.36 116.25 120.25 1uk4 h VAL 261 Ca -0.48 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 66.96 1uk4 h VAL 261 Cb 1.22 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1uk4 h VAL 261 CO 0.66 0.02 -0.25 -0.07 0.02 0.00 0.00 177.57 177.95 1uk4 h LEU 262 N 0.09 0.00 -0.01 2.57 3.38 -1.92 -0.12 115.31 119.32 1uk4 h LEU 262 Ca 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.31 1uk4 h LEU 262 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1uk4 h LEU 262 CO -0.59 0.25 -0.02 0.44 0.09 0.00 0.00 178.44 178.61 1uk4 h ASP 263 N 0.00 0.03 -1.00 -0.43 3.32 -0.70 -2.33 116.42 115.31 1uk4 h ASP 263 Ca -0.00 -0.64 0.12 0.00 0.02 0.00 0.00 57.03 56.53 1uk4 h ASP 263 Cb 0.54 -0.01 -0.08 0.00 0.22 0.00 0.00 39.33 40.00 1uk4 h ASP 263 CO 0.03 0.66 0.63 -0.03 -1.72 0.00 0.00 179.24 178.82 1uk4 h MET 264 N -0.61 0.95 -0.96 3.56 4.05 -0.67 0.33 114.93 121.57 1uk4 h MET 264 Ca -0.00 -0.06 0.07 0.00 -0.28 0.00 0.00 59.70 59.43 1uk4 h MET 264 Cb 0.66 -0.21 -0.07 0.00 -0.80 0.00 0.00 31.60 31.18 1uk4 h MET 264 CO 0.00 0.63 0.61 0.00 0.23 0.00 0.00 176.91 178.39 1uk4 h ALA 266 N 1.45 1.74 0.04 0.00 0.00 0.19 -0.44 119.26 122.25 1uk4 h ALA 266 Ca 0.43 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1uk4 h ALA 266 Cb 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1uk4 h ALA 266 CO -0.19 0.19 -0.02 0.00 0.00 0.00 0.00 179.25 179.24 1uk4 h ALA 267 N 1.82 -0.05 -0.21 0.00 0.00 -0.05 -2.68 119.26 118.08 1uk4 h ALA 267 Ca 0.03 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.78 1uk4 h ALA 267 Cb 0.17 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1uk4 h ALA 267 CO 0.01 -0.32 -0.03 1.25 0.00 0.00 0.00 179.25 180.15 1uk4 h LEU 268 N -0.47 -0.16 -0.74 0.00 6.46 -0.86 -0.36 115.31 119.19 1uk4 h LEU 268 Ca -0.01 0.06 0.17 0.00 -0.12 0.00 0.00 57.88 57.98 1uk4 h LEU 268 Cb 0.43 0.11 -0.12 0.00 -0.73 0.00 0.00 40.66 40.35 1uk4 h LEU 268 CO 0.01 -0.05 0.10 0.50 -0.62 0.00 0.00 178.44 178.38 1uk4 h LYS 269 N 0.02 0.18 -0.53 1.25 3.64 -1.10 0.22 116.57 120.26 1uk4 h LYS 269 Ca 0.10 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.39 1uk4 h LYS 269 Cb 0.15 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1uk4 h LYS 269 CO -0.20 0.12 0.03 1.49 -2.27 0.00 0.00 179.45 178.62 1uk4 h GLU 270 N 0.19 0.92 -0.74 1.90 4.81 -0.96 -1.81 114.58 118.90 1uk4 h GLU 270 Ca 0.41 -0.28 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 1uk4 h GLU 270 Cb 0.73 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 1uk4 h GLU 270 CO -0.57 0.92 0.29 -0.07 -0.73 0.00 0.00 179.01 178.85 1uk4 h LEU 271 N 0.79 1.00 -0.76 1.64 3.38 0.75 0.39 115.31 122.50 1uk4 h LEU 271 Ca 0.15 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1uk4 h LEU 271 Cb 0.49 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1uk4 h LEU 271 CO 0.02 0.89 -0.35 -0.07 0.09 0.00 0.00 178.44 179.02 1uk4 h LEU 272 N 1.07 0.56 0.19 1.67 3.38 -0.52 0.12 115.31 121.78 1uk4 h LEU 272 Ca 0.25 -0.23 -0.31 0.00 0.09 0.00 0.00 57.88 57.68 1uk4 h LEU 272 Cb 0.20 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 40.82 1uk4 h LEU 272 CO -0.02 0.87 -1.40 1.56 0.09 0.00 0.00 178.44 179.54 1uk4 h GLN 273 N 0.46 0.41 -0.17 1.13 4.20 -0.82 -3.37 115.11 116.95 1uk4 h GLN 273 Ca 0.05 -0.70 0.00 0.00 0.06 0.00 0.00 58.65 58.06 1uk4 h GLN 273 Cb 0.83 0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.87 1uk4 h GLN 273 CO 0.07 1.33 0.00 0.09 -0.67 0.00 0.00 178.83 179.65 1uk4 n ASN 274 N -3.62 2.52 -1.19 1.46 3.02 0.13 -5.09 115.26 112.49 1uk4 n ASN 274 Ca -0.14 -1.73 0.16 0.00 -0.03 0.00 0.00 54.58 52.84 1uk4 n ASN 274 Cb 1.07 -0.11 -0.05 0.00 -0.61 0.00 0.00 39.78 40.08 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 0.78 -2.23 0.05 7.41 0.00 0.41 -4.43 105.19 107.18 1uk4 n GLY 275 Ca 0.10 -1.19 0.12 0.00 0.00 0.00 0.00 46.02 45.06 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 -3.87 0.19 -3.32 1.61 2.81 -1.26 -4.80 117.12 108.48 1uk4 n MET 276 Ca -0.02 0.09 -0.16 0.00 -1.81 0.00 0.00 57.70 55.80 1uk4 n MET 276 Cb 0.55 -1.65 0.05 0.00 -0.71 0.00 0.00 33.22 31.46 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 -1.94 -6.55 -0.62 7.83 3.02 -1.26 -2.10 115.26 113.64 1uk4 n ASN 277 Ca 0.05 -0.66 -0.05 0.00 -0.03 0.00 0.00 54.58 53.89 1uk4 n ASN 277 Cb 0.40 -4.71 -0.02 0.00 -0.61 0.00 0.00 39.78 34.84 1uk4 n ASN 277 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uk4 n GLY 278 N -1.45 0.49 3.94 7.41 0.00 -1.26 -4.91 105.19 109.41 1uk4 n GLY 278 Ca -0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 1uk4 n GLY 278 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uk4 s ARG 279 N -1.93 3.49 0.39 1.61 0.52 -0.89 -5.11 118.95 117.03 1uk4 s ARG 279 Ca 0.00 -0.44 0.08 0.00 -0.52 0.00 0.00 55.73 54.85 1uk4 s ARG 279 Cb 0.00 -2.85 -0.05 0.00 0.52 0.00 0.00 34.95 32.57 1uk4 s ARG 279 CO 0.00 0.40 0.14 0.95 0.02 0.00 0.00 175.30 176.80 1uk4 s THR 280 N -1.91 2.48 -0.09 0.02 -4.23 -1.26 -4.78 115.64 105.87 1uk4 s THR 280 Ca 0.37 -1.76 -0.03 0.00 -1.18 0.00 0.00 61.69 59.09 1uk4 s THR 280 Cb -0.11 -2.95 0.05 0.00 1.34 0.00 0.00 72.50 70.83 1uk4 s THR 280 CO 0.30 -0.07 0.13 -0.63 -0.54 0.00 0.00 174.62 173.80 1uk4 s ILE 281 N -2.56 -0.20 -1.48 2.99 1.01 -0.65 -4.81 121.20 115.51 1uk4 s ILE 281 Ca 0.39 0.27 -0.10 0.00 0.00 0.00 0.00 60.65 61.21 1uk4 s ILE 281 Cb 0.02 -0.32 0.06 0.00 0.01 0.00 0.00 42.46 42.23 1uk4 s ILE 281 CO 0.22 0.07 0.87 -0.11 0.00 0.00 0.00 174.94 175.99 1uk4 n LEU 282 N 5.31 -2.62 0.00 2.97 7.94 -1.26 -0.88 117.00 128.47 1uk4 n LEU 282 Ca -0.04 -0.82 0.00 0.00 -1.11 0.00 0.00 56.01 54.04 1uk4 n LEU 282 Cb 0.50 -2.54 0.00 0.00 0.53 0.00 0.00 43.42 41.91 1uk4 n LEU 282 CO 0.06 0.44 0.00 0.61 -1.11 0.00 0.00 177.39 177.39 1uk4 n GLY 283 N -1.67 2.41 3.89 -3.96 0.00 -1.26 -4.94 105.19 99.65 1uk4 n GLY 283 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1uk4 n GLY 283 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uk4 s SER 284 N -1.20 5.51 -0.00 1.61 0.15 -0.06 -4.98 113.70 114.73 1uk4 s SER 284 Ca 0.00 1.10 0.10 0.00 0.70 0.00 0.00 55.95 57.85 1uk4 s SER 284 Cb 0.00 -1.94 -0.13 0.00 -1.71 0.00 0.00 66.02 62.25 1uk4 s SER 284 CO 0.00 -1.28 0.37 0.35 1.20 0.00 0.00 173.24 173.88 1uk4 n THR 285 N -2.94 0.00 -4.33 6.45 -2.24 -1.26 -1.63 114.28 108.33 1uk4 n THR 285 Ca 0.07 -0.25 -0.17 0.00 -2.27 0.00 0.00 64.05 61.42 1uk4 n THR 285 Cb 0.57 0.76 -0.10 0.00 -2.10 0.00 0.00 70.33 69.46 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 -2.20 1.19 -0.01 2.28 -4.36 -1.26 -4.89 121.20 111.94 1uk4 s ILE 286 Ca 0.01 -2.06 -0.30 0.00 -0.26 0.00 0.00 60.65 58.04 1uk4 s ILE 286 Cb 0.07 -2.24 -0.04 0.00 1.25 0.00 0.00 42.46 41.50 1uk4 s ILE 286 CO 0.42 -0.42 1.24 -0.76 0.24 0.00 0.00 174.94 175.66 1uk4 s LEU 287 N -3.30 4.31 0.17 0.37 1.43 -1.26 -4.96 118.68 115.45 1uk4 s LEU 287 Ca 0.26 1.93 -0.21 0.00 -1.03 0.00 0.00 54.13 55.08 1uk4 s LEU 287 Cb 0.04 -3.56 -0.08 0.00 0.03 0.00 0.00 46.19 42.62 1uk4 s LEU 287 CO 0.07 -0.57 0.70 -0.70 0.23 0.00 0.00 176.35 176.08 1uk4 s GLU 288 N 1.90 4.34 0.00 1.70 2.56 -1.26 -4.99 118.70 122.95 1uk4 s GLU 288 Ca 0.58 0.92 0.00 0.00 0.00 0.00 0.00 54.97 56.48 1uk4 s GLU 288 Cb -0.27 -3.09 0.00 0.00 2.00 0.00 0.00 34.13 32.77 1uk4 s GLU 288 CO 0.25 0.51 0.99 -0.40 -0.56 0.00 0.00 175.26 176.06 1uk4 n ASP 289 N 1.24 0.00 -1.58 -1.70 3.85 -1.26 -3.74 116.55 113.35 1uk4 n ASP 289 Ca -0.05 -1.99 -0.13 0.00 -0.71 0.00 0.00 54.79 51.90 1uk4 n ASP 289 Cb 0.50 -0.20 0.16 0.00 -1.35 0.00 0.00 41.12 40.24 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 0.00 2.19 -3.88 0.11 1.02 -1.26 -4.69 120.64 114.13 1uk4 n GLU 290 Ca 0.00 -3.28 -0.28 0.00 -0.02 0.00 0.00 57.16 53.58 1uk4 n GLU 290 Cb 0.70 -1.98 -0.17 0.00 -0.02 0.00 0.00 31.44 29.97 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 -3.37 1.57 0.72 -0.32 0.40 -1.26 -4.77 117.98 110.95 1uk4 s PHE 291 Ca 0.50 -0.97 -0.11 0.00 -0.60 0.00 0.00 56.93 55.75 1uk4 s PHE 291 Cb 0.43 -1.26 0.03 0.00 0.51 0.00 0.00 43.02 42.74 1uk4 s PHE 291 CO 0.02 -0.59 1.09 0.95 0.70 0.00 0.00 175.22 177.39 1uk4 s THR 292 N 1.68 3.05 0.41 0.64 -4.23 -1.26 -4.43 115.64 111.49 1uk4 s THR 292 Ca 0.01 0.25 0.09 0.00 -1.18 0.00 0.00 61.69 60.86 1uk4 s THR 292 Cb -0.15 -3.32 0.29 0.00 1.34 0.00 0.00 72.50 70.66 1uk4 s THR 292 CO -0.08 -0.41 2.02 -0.65 -0.54 0.00 0.00 174.62 174.96 1uk4 h PRO 293 N -0.69 0.54 -0.42 3.99 0.11 -1.90 -1.45 132.00 132.18 1uk4 h PRO 293 Ca -0.45 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 1uk4 h PRO 293 Cb 1.28 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1uk4 h PRO 293 CO 0.64 0.36 0.03 0.35 -0.21 0.00 0.00 178.00 179.17 1uk4 h PHE 294 N 0.56 0.78 -0.64 0.65 3.57 -1.97 -1.36 116.94 118.53 1uk4 h PHE 294 Ca 0.22 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 1uk4 h PHE 294 Cb 0.16 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 1uk4 h PHE 294 CO -0.00 0.77 0.30 -0.44 -2.23 0.00 0.00 178.31 176.71 1uk4 h ASP 295 N 0.57 0.82 0.36 0.41 3.32 -1.65 -0.01 116.42 120.24 1uk4 h ASP 295 Ca 0.12 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1uk4 h ASP 295 Cb 0.43 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1uk4 h ASP 295 CO 0.02 0.71 -0.17 0.58 -1.72 0.00 0.00 179.24 178.65 1uk4 h VAL 296 N 0.91 0.58 -0.85 -1.35 2.07 -1.14 -1.44 116.25 115.03 1uk4 h VAL 296 Ca 0.22 -0.59 0.16 0.00 0.82 0.00 0.00 66.70 67.31 1uk4 h VAL 296 Cb 0.11 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 1uk4 h VAL 296 CO -0.03 0.10 0.56 0.58 0.02 0.00 0.00 177.57 178.80 1uk4 h VAL 297 N -0.85 0.78 -0.08 2.57 2.07 -1.11 0.53 116.25 120.16 1uk4 h VAL 297 Ca -0.05 -0.18 -0.20 0.00 0.82 0.00 0.00 66.70 67.09 1uk4 h VAL 297 Cb 0.53 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1uk4 h VAL 297 CO 0.08 0.10 -0.77 -0.09 0.02 0.00 0.00 177.57 176.91 1uk4 h ARG 298 N 0.54 0.49 0.00 1.57 2.43 -0.89 -3.15 114.38 115.36 1uk4 h ARG 298 Ca 0.43 -0.41 -0.14 0.00 -0.81 0.00 0.00 59.98 59.05 1uk4 h ARG 298 Cb 0.87 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.49 1uk4 h ARG 298 CO -0.18 1.05 -1.90 0.94 -1.51 0.00 0.00 179.97 178.37 1uk4 n GLN 299 N -3.85 0.66 0.00 0.20 7.27 -0.55 -2.46 117.38 118.65 1uk4 n GLN 299 Ca -0.05 -0.03 0.13 0.00 0.07 0.00 0.00 57.00 57.12 1uk4 n GLN 299 Cb 0.73 -1.61 0.43 0.00 2.41 0.00 0.00 30.24 32.21 1uk4 n GLN 299 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1uk4 n SER 301 N -0.70 0.45 0.00 0.00 7.64 -1.19 -5.06 113.62 114.76 1uk4 n SER 301 Ca 0.13 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.12 1uk4 n SER 301 Cb 0.33 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 1uk4 n SER 301 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64