#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ukx s SER 2 N 0.00 2.06 -0.36 1.61 0.01 -1.26 -5.06 113.70 110.69 1ukx s SER 2 Ca 0.00 1.03 0.01 0.00 1.31 0.00 0.00 55.95 58.30 1ukx s SER 2 Cb 0.00 -1.59 0.15 0.00 0.21 0.00 0.00 66.02 64.79 1ukx s SER 2 CO 0.00 -3.47 0.24 -0.94 0.41 0.00 0.00 173.24 169.49 1ukx s SER 3 N -3.55 2.59 0.00 2.44 1.04 -1.26 -5.11 113.70 109.85 1ukx s SER 3 Ca 0.67 -2.37 0.00 0.00 0.48 0.00 0.00 55.95 54.73 1ukx s SER 3 Cb -0.17 -0.38 0.00 0.00 0.10 0.00 0.00 66.02 65.57 1ukx s SER 3 CO 0.57 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 175.13 1ukx n GLY 4 N 3.78 2.74 0.80 7.32 0.00 -1.26 -5.11 105.19 113.46 1ukx n GLY 4 Ca 0.16 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1ukx n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ukx n SER 5 N 0.00 -0.64 -4.59 1.61 7.64 -1.26 -5.11 113.62 111.27 1ukx n SER 5 Ca 0.00 0.25 -0.42 0.00 1.01 0.00 0.00 58.87 59.71 1ukx n SER 5 Cb 0.00 0.83 -0.02 0.00 -1.01 0.00 0.00 64.21 64.00 1ukx n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ukx s SER 6 N -1.37 6.28 0.00 6.43 0.01 -1.26 -4.83 113.70 118.97 1ukx s SER 6 Ca 0.00 0.58 0.00 0.00 1.31 0.00 0.00 55.95 57.84 1ukx s SER 6 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1ukx s SER 6 CO 0.00 -1.52 0.00 0.61 0.41 0.00 0.00 173.24 172.74 1ukx n GLY 7 N 5.13 -1.69 0.41 3.44 0.00 -1.26 -5.06 105.19 106.16 1ukx n GLY 7 Ca 0.14 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1ukx n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ukx n MET 8 N -2.01 0.00 -1.55 1.61 0.00 -1.26 -5.00 117.12 108.91 1ukx n MET 8 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.70 57.33 1ukx n MET 8 Cb 0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 33.22 32.31 1ukx n MET 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1ukx n GLU 9 N -0.41 0.99 -4.29 2.12 1.02 -1.26 -4.89 120.64 113.92 1ukx n GLU 9 Ca 0.00 0.03 -0.15 0.00 -0.02 0.00 0.00 57.16 57.01 1ukx n GLU 9 Cb 0.19 -3.23 -0.10 0.00 -0.02 0.00 0.00 31.44 28.27 1ukx n GLU 9 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1ukx s SER 10 N 11.67 1.23 0.52 1.62 1.04 -1.26 -5.06 113.70 123.46 1ukx s SER 10 Ca 1.02 -1.29 0.19 0.00 0.48 0.00 0.00 55.95 56.35 1ukx s SER 10 Cb -0.30 0.14 1.32 0.00 0.10 0.00 0.00 66.02 67.28 1ukx s SER 10 CO 0.29 -0.66 2.13 1.88 0.98 0.00 0.00 173.24 177.86 1ukx h TYR 11 N 2.51 0.00 -0.11 5.02 0.05 -1.92 -2.94 116.97 119.58 1ukx h TYR 11 Ca -0.38 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.44 1ukx h TYR 11 Cb 1.23 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.97 1ukx h TYR 11 CO 0.49 0.05 0.13 0.77 -1.05 0.00 0.00 178.16 178.55 1ukx h SER 12 N 0.00 0.00 0.57 3.88 0.02 -1.95 -1.60 113.55 114.48 1ukx h SER 12 Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1ukx h SER 12 Cb 0.10 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.65 1ukx h SER 12 CO 0.01 0.00 -0.28 1.56 -1.14 0.00 0.00 176.83 176.98 1ukx h GLN 13 N 0.00 -0.74 -1.00 3.45 4.20 -1.86 -1.31 115.11 117.84 1ukx h GLN 13 Ca 0.05 0.05 0.15 0.00 0.06 0.00 0.00 58.65 58.96 1ukx h GLN 13 Cb 0.31 0.17 -0.09 0.00 0.30 0.00 0.00 27.48 28.16 1ukx h GLN 13 CO -0.00 -0.43 0.62 0.00 -0.67 0.00 0.00 178.83 178.35 1ukx h ARG 14 N -1.04 0.87 0.62 1.46 3.08 -1.56 -0.17 114.38 117.65 1ukx h ARG 14 Ca -0.08 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 1ukx h ARG 14 Cb 0.65 -0.20 0.01 0.00 0.08 0.00 0.00 29.97 30.51 1ukx h ARG 14 CO 0.13 0.58 -0.30 1.96 -1.07 0.00 0.00 179.97 181.27 1ukx h GLN 15 N 0.90 -0.80 -0.96 0.04 4.20 -1.18 0.19 115.11 117.50 1ukx h GLN 15 Ca 0.52 0.05 0.06 0.00 0.06 0.00 0.00 58.65 59.35 1ukx h GLN 15 Cb 0.64 0.18 -0.06 0.00 0.30 0.00 0.00 27.48 28.54 1ukx h GLN 15 CO -0.30 -0.51 0.61 0.22 -0.67 0.00 0.00 178.83 178.18 1ukx h ASP 16 N -0.88 0.98 -0.59 1.46 3.58 -0.81 0.35 116.42 120.50 1ukx h ASP 16 Ca -0.08 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.36 1ukx h ASP 16 Cb 0.65 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.48 1ukx h ASP 16 CO 0.14 0.63 0.32 0.45 -2.88 0.00 0.00 179.24 177.90 1ukx h HIS 17 N 1.12 0.82 -0.29 0.28 3.86 -0.86 -0.83 115.15 119.24 1ukx h HIS 17 Ca 0.41 -0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.46 1ukx h HIS 17 Cb 0.15 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 1ukx h HIS 17 CO -0.01 0.60 -0.38 1.49 0.86 0.00 0.00 177.93 180.49 1ukx h GLU 18 N 0.80 0.68 0.08 2.45 4.81 0.08 -2.04 114.58 121.44 1ukx h GLU 18 Ca 0.21 -0.34 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1ukx h GLU 18 Cb 0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1ukx h GLU 18 CO -0.03 0.94 -0.04 -0.07 -0.73 0.00 0.00 179.01 179.08 1ukx h LEU 19 N 0.56 -0.09 -1.36 1.64 3.38 -0.63 0.18 115.31 119.00 1ukx h LEU 19 Ca 0.05 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1ukx h LEU 19 Cb 0.90 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 1ukx h LEU 19 CO 0.08 0.09 0.08 1.56 0.09 0.00 0.00 178.44 180.34 1ukx h GLN 20 N -0.27 0.51 -0.33 1.13 4.20 -1.20 -1.85 115.11 117.30 1ukx h GLN 20 Ca -0.01 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.49 1ukx h GLN 20 Cb 0.23 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1ukx h GLN 20 CO 0.02 0.47 -0.32 0.00 -0.67 0.00 0.00 178.83 178.33 1ukx h ALA 21 N 1.59 0.81 -0.37 3.87 0.00 -0.95 -2.27 119.26 121.93 1ukx h ALA 21 Ca 0.12 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1ukx h ALA 21 Cb 0.20 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1ukx h ALA 21 CO -0.00 0.65 0.23 -0.07 0.00 0.00 0.00 179.25 180.05 1ukx h LEU 22 N 0.62 0.43 -0.84 0.00 3.38 0.08 -1.37 115.31 117.60 1ukx h LEU 22 Ca 0.07 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1ukx h LEU 22 Cb 0.85 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1ukx h LEU 22 CO 0.07 0.32 -0.09 -0.08 0.09 0.00 0.00 178.44 178.75 1ukx h GLU 23 N 0.50 0.00 0.00 1.13 4.81 -0.98 0.24 114.58 120.28 1ukx h GLU 23 Ca 0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1ukx h GLU 23 Cb -0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1ukx h GLU 23 CO -0.03 0.09 -0.77 0.00 -0.73 0.00 0.00 179.01 177.57 1ukx h ALA 24 N 1.91 0.57 0.00 2.92 0.00 -0.72 -3.15 119.26 120.79 1ukx h ALA 24 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ukx h ALA 24 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1ukx h ALA 24 CO 0.01 0.00 -0.42 -0.89 0.00 0.00 0.00 179.25 177.95 1ukx n ILE 25 N -2.46 0.72 0.08 0.00 2.08 -0.77 -4.79 119.36 114.23 1ukx n ILE 25 Ca 0.02 0.31 -0.22 0.00 0.56 0.00 0.00 62.75 63.41 1ukx n ILE 25 Cb 0.50 -1.83 -0.15 0.00 -0.75 0.00 0.00 39.64 37.41 1ukx n ILE 25 CO 0.00 0.00 0.00 1.88 0.56 0.00 0.00 176.55 178.99 1ukx h TYR 26 N -0.42 0.72 0.00 1.39 0.05 -1.20 -3.48 116.97 114.03 1ukx h TYR 26 Ca 0.00 -0.52 0.00 0.00 0.05 0.00 0.00 58.73 58.26 1ukx h TYR 26 Cb 0.42 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.13 1ukx h TYR 26 CO -0.18 1.62 0.00 0.41 -1.05 0.00 0.00 178.16 178.95 1ukx n GLY 27 N 1.81 0.37 0.27 3.88 0.00 -1.07 -3.02 105.19 107.43 1ukx n GLY 27 Ca -0.22 0.63 0.06 0.00 0.00 0.00 0.00 46.02 46.49 1ukx n GLY 27 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ukx h SER 28 N 0.00 0.13 1.04 1.61 0.02 -1.92 -2.48 113.55 111.96 1ukx h SER 28 Ca 0.00 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1ukx h SER 28 Cb 0.00 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1ukx h SER 28 CO 0.00 0.12 -0.27 0.44 -1.14 0.00 0.00 176.83 175.98 1ukx h ASP 29 N 0.15 0.00 -3.26 3.07 3.32 -1.88 -3.43 116.42 114.39 1ukx h ASP 29 Ca 0.04 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.52 1ukx h ASP 29 Cb 0.03 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.53 1ukx h ASP 29 CO -0.00 0.27 0.49 0.12 -1.72 0.00 0.00 179.24 178.40 1ukx s PHE 30 N -3.52 3.44 -0.28 4.55 5.36 -0.93 -1.75 117.98 124.84 1ukx s PHE 30 Ca 0.01 1.38 0.02 0.00 -0.96 0.00 0.00 56.93 57.38 1ukx s PHE 30 Cb 0.10 -3.10 0.08 0.00 -0.34 0.00 0.00 43.02 39.76 1ukx s PHE 30 CO 0.66 -0.26 -0.01 -1.14 -1.46 0.00 0.00 175.22 173.01 1ukx s GLN 31 N 2.22 1.48 0.18 10.12 0.74 -0.06 -4.89 119.66 129.45 1ukx s GLN 31 Ca 0.42 -1.28 -0.21 0.00 0.05 0.00 0.00 55.36 54.34 1ukx s GLN 31 Cb -0.17 -2.68 -0.08 0.00 1.10 0.00 0.00 33.01 31.18 1ukx s GLN 31 CO 0.13 -0.75 0.72 0.34 -0.55 0.00 0.00 175.29 175.18 1ukx s ASP 32 N 1.27 7.16 0.00 6.67 2.15 -1.26 -0.70 116.67 131.96 1ukx s ASP 32 Ca 0.01 1.46 0.00 0.00 0.43 0.00 0.00 52.55 54.45 1ukx s ASP 32 Cb -0.19 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 1ukx s ASP 32 CO -0.10 0.12 0.47 0.18 -0.17 0.00 0.00 175.17 175.68 1ukx n LEU 33 N 1.13 0.94 -4.76 -1.34 4.77 -0.89 -4.97 117.00 111.89 1ukx n LEU 33 Ca -0.05 -0.96 -0.40 0.00 -0.03 0.00 0.00 56.01 54.58 1ukx n LEU 33 Cb 0.50 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.55 1ukx n LEU 33 CO 0.44 0.24 0.76 -0.13 -1.33 0.00 0.00 177.39 177.37 1ukx s ARG 34 N -0.03 4.65 0.01 3.23 0.52 -1.25 -4.90 118.95 121.18 1ukx s ARG 34 Ca 0.00 1.73 0.23 0.00 -0.52 0.00 0.00 55.73 57.17 1ukx s ARG 34 Cb 0.00 -3.17 0.10 0.00 0.52 0.00 0.00 34.95 32.40 1ukx s ARG 34 CO 0.00 0.25 1.11 -0.35 0.02 0.00 0.00 175.30 176.33 1ukx n PRO 35 N 1.17 0.06 -0.85 3.54 -0.04 -1.26 -5.04 135.00 132.59 1ukx n PRO 35 Ca -0.01 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1ukx n PRO 35 Cb 0.45 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 1ukx n PRO 35 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ukx n ASP 36 N -1.60 0.00 -4.95 3.54 2.03 -1.26 -5.00 116.55 109.31 1ukx n ASP 36 Ca 0.04 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.15 1ukx n ASP 36 Cb 0.36 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.74 1ukx n ASP 36 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ukx s ALA 37 N -0.06 4.01 -1.17 -1.67 0.00 -1.26 -5.04 121.76 116.57 1ukx s ALA 37 Ca 0.00 -1.39 -0.20 0.00 0.00 0.00 0.00 51.96 50.37 1ukx s ALA 37 Cb 0.00 -1.60 0.07 0.00 0.00 0.00 0.00 23.12 21.59 1ukx s ALA 37 CO 0.00 0.11 1.58 1.03 0.00 0.00 0.00 175.76 178.47 1ukx s ARG 38 N -4.04 3.82 0.00 0.00 0.52 -1.26 -4.29 118.95 113.70 1ukx s ARG 38 Ca 0.39 -1.69 0.00 0.00 -0.52 0.00 0.00 55.73 53.91 1ukx s ARG 38 Cb -0.09 -5.41 0.00 0.00 0.52 0.00 0.00 34.95 29.98 1ukx s ARG 38 CO 0.29 -2.18 0.00 0.41 0.02 0.00 0.00 175.30 173.84 1ukx n GLY 39 N 5.88 -1.11 1.85 -3.53 0.00 -1.26 -5.16 105.19 101.86 1ukx n GLY 39 Ca 0.41 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 1ukx n GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ukx n ARG 40 N 0.13 0.34 -1.63 1.61 0.63 -1.26 -5.13 116.66 111.35 1ukx n ARG 40 Ca 0.00 -1.92 -0.43 0.00 -0.92 0.00 0.00 57.85 54.59 1ukx n ARG 40 Cb 0.00 1.45 -0.00 0.00 0.45 0.00 0.00 32.46 34.36 1ukx n ARG 40 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 1ukx n VAL 41 N -0.40 2.20 -3.65 5.15 3.14 -1.26 -4.97 118.33 118.53 1ukx n VAL 41 Ca 0.03 -0.50 -0.36 0.00 -2.96 0.00 0.00 64.34 60.55 1ukx n VAL 41 Cb 0.35 -1.24 -0.08 0.00 -1.06 0.00 0.00 33.84 31.80 1ukx n VAL 41 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 1ukx s ARG 42 N -1.85 4.19 0.35 1.45 3.52 -1.26 -5.05 118.95 120.31 1ukx s ARG 42 Ca 0.60 -0.12 -0.12 0.00 -0.13 0.00 0.00 55.73 55.95 1ukx s ARG 42 Cb -0.60 -3.44 0.03 0.00 -1.56 0.00 0.00 34.95 29.38 1ukx s ARG 42 CO 0.59 0.24 0.67 -1.83 -0.81 0.00 0.00 175.30 174.15 1ukx s GLU 43 N 0.53 2.05 0.91 5.12 -1.05 -1.26 -5.17 118.70 119.83 1ukx s GLU 43 Ca 0.11 -1.48 -0.11 0.00 -0.15 0.00 0.00 54.97 53.34 1ukx s GLU 43 Cb -0.12 0.56 0.14 0.00 -0.44 0.00 0.00 34.13 34.27 1ukx s GLU 43 CO 0.01 -0.92 1.12 -2.14 0.95 0.00 0.00 175.26 174.28 1ukx s PRO 44 N -2.81 1.05 -1.15 -4.83 0.02 -1.26 -4.91 135.00 121.10 1ukx s PRO 44 Ca 0.20 1.35 -0.19 0.00 0.02 0.00 0.00 61.00 62.38 1ukx s PRO 44 Cb -0.03 -1.75 -0.04 0.00 0.02 0.00 0.00 34.50 32.70 1ukx s PRO 44 CO 0.13 -2.54 1.97 -0.35 -0.33 0.00 0.00 177.00 175.88 1ukx n PRO 45 N -4.16 2.24 -2.71 5.54 -0.04 -1.20 -4.91 135.00 129.76 1ukx n PRO 45 Ca 0.10 -2.49 -0.41 0.00 -0.04 0.00 0.00 63.50 60.66 1ukx n PRO 45 Cb 0.53 -3.32 -0.05 0.00 -0.04 0.00 0.00 33.50 30.62 1ukx n PRO 45 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1ukx s GLU 46 N 4.70 4.71 0.17 0.54 2.12 -1.26 -4.55 118.70 125.13 1ukx s GLU 46 Ca 0.56 1.49 -0.04 0.00 0.36 0.00 0.00 54.97 57.34 1ukx s GLU 46 Cb 0.09 -3.35 -0.03 0.00 0.26 0.00 0.00 34.13 31.10 1ukx s GLU 46 CO 0.06 0.25 0.18 0.96 -0.54 0.00 0.00 175.26 176.17 1ukx s ILE 47 N -0.21 0.05 0.05 -3.70 -5.25 -1.19 -2.09 121.20 108.87 1ukx s ILE 47 Ca 0.46 -1.76 0.05 0.00 -0.99 0.00 0.00 60.65 58.41 1ukx s ILE 47 Cb -0.24 -2.16 -0.03 0.00 2.95 0.00 0.00 42.46 42.98 1ukx s ILE 47 CO 0.31 -0.22 -0.15 0.21 -1.79 0.00 0.00 174.94 173.30 1ukx s ASN 48 N -3.06 1.74 -0.08 4.36 2.47 0.12 -2.38 114.94 118.10 1ukx s ASN 48 Ca 0.27 -0.53 -0.02 0.00 0.42 0.00 0.00 52.86 53.00 1ukx s ASN 48 Cb 0.05 -0.09 0.03 0.00 -1.45 0.00 0.00 41.25 39.80 1ukx s ASN 48 CO 0.06 -0.00 0.02 -0.76 -3.72 0.00 0.00 177.10 172.69 1ukx s LEU 49 N -1.41 0.58 0.24 3.21 1.43 -0.26 -0.89 118.68 121.57 1ukx s LEU 49 Ca 0.01 -0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 52.64 1ukx s LEU 49 Cb -0.09 -0.41 -0.09 0.00 0.03 0.00 0.00 46.19 45.64 1ukx s LEU 49 CO 0.02 -0.22 1.07 -0.69 0.23 0.00 0.00 176.35 176.76 1ukx s VAL 50 N 2.00 3.72 0.02 -1.59 1.01 -0.72 -1.22 120.40 123.62 1ukx s VAL 50 Ca 0.04 1.64 0.02 0.00 0.00 0.00 0.00 61.98 63.68 1ukx s VAL 50 Cb -0.13 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 1ukx s VAL 50 CO -0.05 0.35 -0.07 -0.76 0.00 0.00 0.00 175.10 174.57 1ukx s LEU 51 N -1.01 2.11 0.14 3.92 1.43 -0.33 -4.87 118.68 120.06 1ukx s LEU 51 Ca 0.46 -0.28 -0.00 0.00 -1.03 0.00 0.00 54.13 53.27 1ukx s LEU 51 Cb -0.30 -0.26 -0.04 0.00 0.03 0.00 0.00 46.19 45.62 1ukx s LEU 51 CO 0.37 -0.03 0.03 -0.31 0.23 0.00 0.00 176.35 176.64 1ukx s TYR 52 N -0.63 0.94 0.88 0.29 1.51 -1.26 -1.59 117.35 117.48 1ukx s TYR 52 Ca -0.02 -1.16 -0.12 0.00 -1.01 0.00 0.00 57.07 54.76 1ukx s TYR 52 Cb -0.05 -0.54 0.12 0.00 -0.11 0.00 0.00 41.96 41.38 1ukx s TYR 52 CO 0.00 -0.42 1.12 -1.25 -1.11 0.00 0.00 175.55 173.89 1ukx s PRO 53 N -4.00 1.43 1.92 -1.71 0.04 -1.26 -4.32 135.00 127.10 1ukx s PRO 53 Ca 0.23 0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.70 1ukx s PRO 53 Cb 0.07 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1ukx s PRO 53 CO 0.01 -2.03 0.00 0.94 0.04 0.00 0.00 177.00 175.97 1ukx n GLN 54 N -3.68 0.00 -0.32 4.56 7.27 -1.25 -2.25 117.38 121.72 1ukx n GLN 54 Ca 0.07 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.17 1ukx n GLN 54 Cb 0.58 0.00 0.05 0.00 2.41 0.00 0.00 30.24 33.28 1ukx n GLN 54 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ukx n GLY 55 N 0.00 2.03 0.24 1.69 0.00 -1.26 -4.87 105.19 103.02 1ukx n GLY 55 Ca 0.00 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.72 1ukx n GLY 55 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ukx h LEU 56 N 0.00 0.00 0.00 0.99 3.38 -1.77 -3.46 115.31 114.45 1ukx h LEU 56 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ukx h LEU 56 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1ukx h LEU 56 CO 0.00 0.16 0.00 0.00 0.09 0.00 0.00 178.44 178.69 1ukx n ALA 57 N -2.21 0.00 0.57 1.53 0.00 -1.26 -0.73 120.51 118.41 1ukx n ALA 57 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1ukx n ALA 57 Cb 0.36 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.08 1ukx n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ukx n GLY 58 N 0.00 1.27 3.36 0.00 0.00 -1.26 -4.82 105.19 103.74 1ukx n GLY 58 Ca 0.00 -0.61 -0.44 0.00 0.00 0.00 0.00 46.02 44.97 1ukx n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ukx s GLU 59 N -1.53 2.91 0.83 1.61 8.01 0.10 -4.92 118.70 125.70 1ukx s GLU 59 Ca 0.36 -1.38 0.00 0.00 0.01 0.00 0.00 54.97 53.96 1ukx s GLU 59 Cb 0.20 -4.07 0.00 0.00 -4.31 0.00 0.00 34.13 25.95 1ukx s GLU 59 CO 0.29 -1.02 0.00 0.39 0.01 0.00 0.00 175.26 174.92 1ukx n GLU 60 N 5.15 0.00 -1.40 1.61 1.02 -1.26 -4.82 120.64 120.94 1ukx n GLU 60 Ca -0.12 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.19 1ukx n GLU 60 Cb 0.43 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.77 1ukx n GLU 60 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1ukx n VAL 61 N 0.00 -0.69 0.00 2.62 0.24 -1.26 -4.95 118.33 114.30 1ukx n VAL 61 Ca 0.00 0.81 0.00 0.00 -2.04 0.00 0.00 64.34 63.11 1ukx n VAL 61 Cb 0.00 -1.29 0.00 0.00 -1.47 0.00 0.00 33.84 31.08 1ukx n VAL 61 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1ukx n TYR 62 N -4.28 0.00 -3.78 6.34 4.02 -1.26 -5.04 117.16 113.17 1ukx n TYR 62 Ca -0.08 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.71 1ukx n TYR 62 Cb 0.66 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.92 1ukx n TYR 62 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1ukx s VAL 63 N -1.95 0.11 0.12 -0.72 -7.23 -1.26 -4.49 120.40 104.98 1ukx s VAL 63 Ca 0.00 -0.88 -0.25 0.00 -1.81 0.00 0.00 61.98 59.04 1ukx s VAL 63 Cb 0.00 -1.14 0.07 0.00 0.56 0.00 0.00 36.38 35.87 1ukx s VAL 63 CO 0.00 -0.48 0.82 0.00 -0.31 0.00 0.00 175.10 175.12 1ukx s GLN 64 N -3.34 1.19 0.02 4.82 1.03 -1.21 -4.32 119.66 117.85 1ukx s GLN 64 Ca 0.01 -0.55 -0.10 0.00 0.04 0.00 0.00 55.36 54.75 1ukx s GLN 64 Cb 0.02 0.47 0.01 0.00 0.03 0.00 0.00 33.01 33.54 1ukx s GLN 64 CO -0.08 -0.53 0.21 0.54 -2.54 0.00 0.00 175.29 172.89 1ukx s VAL 65 N -3.44 0.09 -0.38 3.63 0.11 -0.62 -0.43 120.40 119.36 1ukx s VAL 65 Ca 0.07 -0.77 -0.15 0.00 -2.93 0.00 0.00 61.98 58.21 1ukx s VAL 65 Cb -0.02 -0.78 0.01 0.00 -1.53 0.00 0.00 36.38 34.06 1ukx s VAL 65 CO -0.04 -0.42 0.31 -1.61 -3.33 0.00 0.00 175.10 170.01 1ukx s GLU 66 N -2.14 3.20 -0.25 1.54 2.02 -0.72 -1.19 118.70 121.16 1ukx s GLU 66 Ca -0.08 -0.82 -0.17 0.00 0.02 0.00 0.00 54.97 53.92 1ukx s GLU 66 Cb -0.03 -3.91 -0.03 0.00 0.10 0.00 0.00 34.13 30.26 1ukx s GLU 66 CO -0.01 -0.65 0.49 -1.17 0.02 0.00 0.00 175.26 173.93 1ukx s LEU 67 N 1.79 4.06 -0.09 1.80 0.20 -0.35 -1.32 118.68 124.76 1ukx s LEU 67 Ca 0.07 0.50 -0.09 0.00 0.69 0.00 0.00 54.13 55.31 1ukx s LEU 67 Cb -0.18 -2.63 -0.04 0.00 -0.43 0.00 0.00 46.19 42.91 1ukx s LEU 67 CO 0.11 -0.26 0.20 -0.60 -0.29 0.00 0.00 176.35 175.52 1ukx s ARG 68 N 2.18 3.55 -0.29 1.98 6.06 -0.34 -1.11 118.95 130.98 1ukx s ARG 68 Ca 0.20 -0.00 -0.02 0.00 -2.50 0.00 0.00 55.73 53.41 1ukx s ARG 68 Cb -0.16 -3.20 0.10 0.00 0.06 0.00 0.00 34.95 31.76 1ukx s ARG 68 CO 0.09 0.76 0.11 0.08 -2.50 0.00 0.00 175.30 173.84 1ukx s VAL 69 N -1.05 0.39 0.23 7.11 1.01 -1.00 -3.36 120.40 123.73 1ukx s VAL 69 Ca 0.17 -1.04 0.15 0.00 0.00 0.00 0.00 61.98 61.26 1ukx s VAL 69 Cb -0.13 -1.30 0.06 0.00 0.00 0.00 0.00 36.38 35.02 1ukx s VAL 69 CO 0.06 -0.68 1.69 0.07 0.00 0.00 0.00 175.10 176.24 1ukx h LYS 70 N 8.26 0.00 -2.54 2.72 2.10 -1.81 -3.14 116.57 122.16 1ukx h LYS 70 Ca -0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.48 1ukx h LYS 70 Cb 1.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.35 1ukx h LYS 70 CO 0.45 0.48 -0.29 0.00 -2.00 0.00 0.00 179.45 178.09 1ukx s PRO 72 N -4.34 0.99 0.00 0.00 0.04 -1.26 -4.74 135.00 125.68 1ukx s PRO 72 Ca 0.00 0.85 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1ukx s PRO 72 Cb 0.00 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1ukx s PRO 72 CO 0.00 -2.43 0.66 -0.35 0.04 0.00 0.00 177.00 174.91 1ukx n PRO 73 N -4.02 0.71 0.00 0.56 -0.04 -1.26 -2.59 135.00 128.36 1ukx n PRO 73 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1ukx n PRO 73 Cb 0.55 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 1ukx n PRO 73 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ukx n THR 74 N -0.40 0.01 -1.72 0.52 -2.24 -1.26 -4.99 114.28 104.21 1ukx n THR 74 Ca 0.00 -0.20 -0.43 0.00 -2.27 0.00 0.00 64.05 61.15 1ukx n THR 74 Cb 0.03 1.58 -0.01 0.00 -2.10 0.00 0.00 70.33 69.82 1ukx n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ukx n TYR 75 N -0.01 2.49 -0.14 4.78 4.19 -1.07 -0.79 117.16 126.62 1ukx n TYR 75 Ca 0.00 0.46 0.08 0.00 3.31 0.00 0.00 57.90 61.74 1ukx n TYR 75 Cb 0.16 -2.48 0.28 0.00 0.49 0.00 0.00 39.34 37.80 1ukx n TYR 75 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1ukx n PRO 76 N 1.12 3.11 -0.25 2.98 -0.04 -1.26 -4.83 135.00 135.84 1ukx n PRO 76 Ca 0.06 -2.27 -0.00 0.00 -0.04 0.00 0.00 63.50 61.25 1ukx n PRO 76 Cb 0.36 -1.74 0.12 0.00 -0.04 0.00 0.00 33.50 32.19 1ukx n PRO 76 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1ukx h ASP 77 N 3.29 0.56 -1.17 3.54 3.58 -1.28 -3.38 116.42 121.56 1ukx h ASP 77 Ca 0.00 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1ukx h ASP 77 Cb 1.17 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.15 1ukx h ASP 77 CO 0.17 0.35 0.00 0.55 -2.88 0.00 0.00 179.24 177.43 1ukx n VAL 78 N -4.79 0.00 -4.49 2.25 3.14 -1.26 -4.84 118.33 108.34 1ukx n VAL 78 Ca 0.10 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.14 1ukx n VAL 78 Cb 0.20 -0.51 -0.10 0.00 -1.06 0.00 0.00 33.84 32.37 1ukx n VAL 78 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 1ukx s VAL 79 N 2.11 3.86 0.97 1.55 -7.23 -1.26 -4.84 120.40 115.57 1ukx s VAL 79 Ca 0.00 -0.53 -0.12 0.00 -1.81 0.00 0.00 61.98 59.53 1ukx s VAL 79 Cb 0.00 -2.63 0.17 0.00 0.56 0.00 0.00 36.38 34.48 1ukx s VAL 79 CO 0.00 0.52 1.08 -2.16 -0.31 0.00 0.00 175.10 174.23 1ukx s PRO 80 N -1.08 0.62 0.05 4.82 0.04 -1.26 -4.78 135.00 133.41 1ukx s PRO 80 Ca 0.15 0.82 -0.11 0.00 0.04 0.00 0.00 61.00 61.89 1ukx s PRO 80 Cb -0.11 -1.74 -0.06 0.00 0.04 0.00 0.00 34.50 32.64 1ukx s PRO 80 CO 0.04 -2.68 0.40 -1.21 0.04 0.00 0.00 177.00 173.59 1ukx s GLU 81 N -4.82 3.80 -0.04 4.56 2.02 -1.26 -4.97 118.70 117.98 1ukx s GLU 81 Ca 0.65 0.24 0.03 0.00 0.02 0.00 0.00 54.97 55.91 1ukx s GLU 81 Cb -0.20 -3.06 0.01 0.00 0.10 0.00 0.00 34.13 30.97 1ukx s GLU 81 CO 0.59 0.60 -0.12 0.42 0.02 0.00 0.00 175.26 176.77 1ukx s ILE 82 N -1.30 1.07 -0.10 -1.63 1.01 -1.26 -4.24 121.20 114.76 1ukx s ILE 82 Ca 0.30 -0.49 -0.13 0.00 0.00 0.00 0.00 60.65 60.33 1ukx s ILE 82 Cb -0.15 -0.95 0.03 0.00 0.01 0.00 0.00 42.46 41.40 1ukx s ILE 82 CO 0.16 0.33 0.33 -1.81 0.00 0.00 0.00 174.94 173.95 1ukx s ASP 83 N 0.33 -0.31 -0.10 3.58 1.01 -1.21 -5.02 116.67 114.94 1ukx s ASP 83 Ca -0.07 0.52 0.01 0.00 0.71 0.00 0.00 52.55 53.72 1ukx s ASP 83 Cb -0.12 0.59 -0.02 0.00 1.01 0.00 0.00 42.92 44.39 1ukx s ASP 83 CO 0.02 -0.21 -0.14 -0.76 0.21 0.00 0.00 175.17 174.29 1ukx s LEU 84 N -0.24 2.68 0.17 1.23 2.01 -1.26 -1.20 118.68 122.08 1ukx s LEU 84 Ca -0.04 -0.30 0.02 0.00 0.01 0.00 0.00 54.13 53.82 1ukx s LEU 84 Cb -0.03 -1.58 -0.05 0.00 0.01 0.00 0.00 46.19 44.55 1ukx s LEU 84 CO 0.02 0.23 0.00 -0.54 1.01 0.00 0.00 176.35 177.06 1ukx s LYS 85 N -0.02 1.10 -1.20 1.70 -0.14 -0.44 -4.91 119.74 115.84 1ukx s LYS 85 Ca -0.04 -1.53 0.00 0.00 -1.36 0.00 0.00 55.97 53.04 1ukx s LYS 85 Cb -0.14 -0.26 0.00 0.00 -1.68 0.00 0.00 37.83 35.75 1ukx s LYS 85 CO 0.04 -0.13 0.00 0.09 -0.76 0.00 0.00 175.35 174.59 1ukx n ASN 86 N -0.24 -3.57 -4.61 2.83 3.02 -1.26 -1.75 115.26 109.69 1ukx n ASN 86 Ca -0.06 0.25 -0.44 0.00 -0.03 0.00 0.00 54.58 54.30 1ukx n ASN 86 Cb 0.63 -3.20 -0.04 0.00 -0.61 0.00 0.00 39.78 36.57 1ukx n ASN 86 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ukx n ALA 87 N -0.81 1.62 -1.77 5.41 0.00 -1.26 -4.77 120.51 118.93 1ukx n ALA 87 Ca -0.13 -0.09 -0.38 0.00 0.00 0.00 0.00 53.44 52.84 1ukx n ALA 87 Cb 0.50 -2.81 -0.04 0.00 0.00 0.00 0.00 19.45 17.10 1ukx n ALA 87 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ukx s LYS 88 N 5.75 4.40 0.00 0.00 3.01 0.43 -1.36 119.74 131.97 1ukx s LYS 88 Ca 0.98 1.60 0.00 0.00 -1.01 0.00 0.00 55.97 57.54 1ukx s LYS 88 Cb -0.43 -2.83 0.00 0.00 -1.01 0.00 0.00 37.83 33.56 1ukx s LYS 88 CO 0.39 0.05 0.00 0.41 0.51 0.00 0.00 175.35 176.71 1ukx n GLY 89 N 0.72 2.05 0.00 -3.33 0.00 -1.26 -3.36 105.19 100.01 1ukx n GLY 89 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1ukx n GLY 89 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ukx n LEU 90 N 0.00 0.00 0.00 0.99 4.77 -1.24 -5.01 117.00 116.51 1ukx n LEU 90 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ukx n LEU 90 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1ukx n LEU 90 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 175.82 1ukx n SER 91 N -0.59 0.00 -0.30 -1.43 2.88 -0.47 -0.56 113.62 113.15 1ukx n SER 91 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ukx n SER 91 Cb 0.05 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 1ukx n SER 91 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1ukx n ASN 92 N 0.98 0.00 0.00 -3.46 3.02 -1.26 -4.21 115.26 110.33 1ukx n ASN 92 Ca 0.00 -1.58 0.00 0.00 -0.03 0.00 0.00 54.58 52.97 1ukx n ASN 92 Cb 0.00 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 1ukx n ASN 92 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ukx n GLU 93 N 0.00 0.00 0.09 3.52 1.02 0.27 -4.36 120.64 121.19 1ukx n GLU 93 Ca 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.22 1ukx n GLU 93 Cb 0.62 -0.16 0.40 0.00 -0.02 0.00 0.00 31.44 32.27 1ukx n GLU 93 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1ukx n SER 94 N -0.36 0.39 -0.33 1.62 3.41 -1.26 -2.38 113.62 114.71 1ukx n SER 94 Ca 0.00 0.64 0.06 0.00 -0.26 0.00 0.00 58.87 59.31 1ukx n SER 94 Cb 0.00 -0.71 0.25 0.00 -0.26 0.00 0.00 64.21 63.49 1ukx n SER 94 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1ukx h VAL 95 N 0.00 0.99 -0.76 -3.33 2.07 -1.84 0.30 116.25 113.68 1ukx h VAL 95 Ca 0.00 -0.34 0.03 0.00 0.82 0.00 0.00 66.70 67.21 1ukx h VAL 95 Cb 0.15 -0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 29.77 1ukx h VAL 95 CO 0.00 0.18 0.48 0.78 0.02 0.00 0.00 177.57 179.03 1ukx h ASN 96 N 1.00 0.79 0.48 0.57 2.35 -1.67 -0.02 115.58 119.08 1ukx h ASN 96 Ca 0.45 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.17 1ukx h ASN 96 Cb 0.37 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1ukx h ASN 96 CO -0.20 0.54 -0.23 0.25 -1.65 0.00 0.00 177.43 176.14 1ukx h LEU 97 N 0.93 -0.55 -0.74 1.61 6.46 -1.15 -2.09 115.31 119.78 1ukx h LEU 97 Ca 0.30 -0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 58.01 1ukx h LEU 97 Cb 0.02 0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.06 1ukx h LEU 97 CO -0.11 -0.30 0.40 0.25 -0.62 0.00 0.00 178.44 178.06 1ukx h LEU 98 N -0.77 0.93 -0.80 2.25 5.85 -1.23 0.31 115.31 121.84 1ukx h LEU 98 Ca -0.07 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1ukx h LEU 98 Cb 0.55 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1ukx h LEU 98 CO 0.11 0.76 0.53 0.50 -0.34 0.00 0.00 178.44 180.00 1ukx h LYS 99 N 1.02 1.03 -0.56 1.25 3.64 -0.91 0.16 116.57 122.20 1ukx h LYS 99 Ca 0.26 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1ukx h LYS 99 Cb 0.05 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 1ukx h LYS 99 CO -0.04 0.68 0.14 0.77 -2.27 0.00 0.00 179.45 178.73 1ukx h SER 100 N 1.07 0.84 -0.67 4.20 0.02 -0.79 0.44 113.55 118.66 1ukx h SER 100 Ca 0.30 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1ukx h SER 100 Cb -0.09 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.19 1ukx h SER 100 CO -0.08 0.85 0.32 0.45 -1.14 0.00 0.00 176.83 177.24 1ukx h HIS 101 N 0.79 0.99 -0.11 3.45 3.86 0.05 -0.96 115.15 123.21 1ukx h HIS 101 Ca 0.18 -0.04 -0.06 0.00 -1.16 0.00 0.00 60.37 59.29 1ukx h HIS 101 Cb 0.34 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 28.50 1ukx h HIS 101 CO 0.02 0.73 -0.15 -0.07 0.86 0.00 0.00 177.93 179.32 1ukx h LEU 102 N 0.98 0.32 -1.00 2.43 3.38 -0.62 -0.19 115.31 120.61 1ukx h LEU 102 Ca 0.24 -0.52 0.18 0.00 0.09 0.00 0.00 57.88 57.87 1ukx h LEU 102 Cb 0.12 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 40.67 1ukx h LEU 102 CO -0.03 0.78 0.61 -0.33 0.09 0.00 0.00 178.44 179.55 1ukx h GLU 103 N -0.13 0.76 0.12 1.13 4.39 -0.47 -0.54 114.58 119.84 1ukx h GLU 103 Ca 0.01 -0.05 -0.18 0.00 0.34 0.00 0.00 59.36 59.49 1ukx h GLU 103 Cb 0.71 -0.17 0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1ukx h GLU 103 CO 0.04 0.50 -0.77 0.93 -1.16 0.00 0.00 179.01 178.55 1ukx h GLU 104 N 0.78 0.31 -0.90 2.33 4.39 -1.13 -3.31 114.58 117.06 1ukx h GLU 104 Ca 0.57 -0.49 0.18 0.00 0.34 0.00 0.00 59.36 59.95 1ukx h GLU 104 Cb 0.85 0.18 -0.07 0.00 -0.10 0.00 0.00 28.75 29.61 1ukx h GLU 104 CO -0.37 1.22 0.58 1.25 -1.16 0.00 0.00 179.01 180.53 1ukx h LEU 105 N -0.35 0.53 -0.21 1.33 5.85 -0.44 -0.38 115.31 121.65 1ukx h LEU 105 Ca -0.13 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.64 1ukx h LEU 105 Cb 1.59 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 1ukx h LEU 105 CO 0.15 0.23 0.12 0.00 -0.34 0.00 0.00 178.44 178.60 1ukx h ALA 106 N 1.61 0.26 0.00 1.25 0.00 -1.20 0.11 119.26 121.29 1ukx h ALA 106 Ca 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1ukx h ALA 106 Cb 0.97 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1ukx h ALA 106 CO -0.21 -0.29 0.00 0.87 0.00 0.00 0.00 179.25 179.62 1ukx h LYS 107 N 0.25 0.00 0.01 0.00 6.56 -1.17 -0.78 116.57 121.43 1ukx h LYS 107 Ca 0.08 0.00 -0.36 0.00 -1.06 0.00 0.00 60.65 59.31 1ukx h LYS 107 Cb 0.00 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 31.60 1ukx h LYS 107 CO -0.04 0.00 -2.27 1.63 -2.06 0.00 0.00 179.45 176.71 1ukx n LYS 108 N -2.84 0.68 0.00 3.15 5.02 -0.73 -3.82 118.16 119.62 1ukx n LYS 108 Ca -0.01 0.08 0.14 0.00 -2.02 0.00 0.00 58.31 56.49 1ukx n LYS 108 Cb 0.14 -1.58 0.59 0.00 -0.02 0.00 0.00 35.03 34.16 1ukx n LYS 108 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1ukx n GLN 109 N -2.91 0.37 -1.65 1.97 1.13 0.31 -4.94 117.38 111.66 1ukx n GLN 109 Ca -0.32 -0.10 -0.58 0.00 -1.94 0.00 0.00 57.00 54.06 1ukx n GLN 109 Cb 1.11 -1.50 -0.07 0.00 0.11 0.00 0.00 30.24 29.89 1ukx n GLN 109 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ukx n GLY 111 N 3.23 2.79 3.73 0.00 0.00 -1.26 -5.07 105.19 108.61 1ukx n GLY 111 Ca 0.24 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 1ukx n GLY 111 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ukx s GLU 112 N 0.00 2.22 -0.67 1.61 -1.05 -1.21 -4.82 118.70 114.78 1ukx s GLU 112 Ca 0.00 -1.57 -0.33 0.00 -0.15 0.00 0.00 54.97 52.92 1ukx s GLU 112 Cb 0.00 0.59 -0.16 0.00 -0.44 0.00 0.00 34.13 34.11 1ukx s GLU 112 CO 0.00 -1.02 2.44 1.33 0.95 0.00 0.00 175.26 178.96 1ukx n VAL 113 N -0.55 0.03 0.37 1.83 0.24 -1.26 -4.86 118.33 114.12 1ukx n VAL 113 Ca -0.07 -0.21 0.08 0.00 -2.04 0.00 0.00 64.34 62.11 1ukx n VAL 113 Cb 0.60 -1.19 -0.12 0.00 -1.47 0.00 0.00 33.84 31.66 1ukx n VAL 113 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 1ukx n MET 114 N 8.36 0.93 -0.24 7.34 0.00 -1.26 -4.62 117.12 127.63 1ukx n MET 114 Ca 0.53 -0.09 0.04 0.00 0.00 0.00 0.00 57.70 58.19 1ukx n MET 114 Cb 0.16 -1.36 0.17 0.00 0.00 0.00 0.00 33.22 32.18 1ukx n MET 114 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1ukx h ILE 115 N 0.00 0.55 -0.62 3.17 2.04 -2.00 -0.04 117.51 120.61 1ukx h ILE 115 Ca 0.00 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 1ukx h ILE 115 Cb 0.62 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1ukx h ILE 115 CO 0.00 0.05 0.25 -0.26 0.00 0.00 0.00 178.15 178.19 1ukx h PHE 116 N 0.28 0.91 -0.35 1.37 -1.00 -2.00 -0.70 116.94 115.47 1ukx h PHE 116 Ca 0.39 -0.05 -0.02 0.00 2.81 0.00 0.00 57.97 61.10 1ukx h PHE 116 Cb 0.65 -0.28 -0.02 0.00 3.61 0.00 0.00 35.95 39.91 1ukx h PHE 116 CO -0.25 0.70 0.16 1.49 -1.61 0.00 0.00 178.31 178.80 1ukx h GLU 117 N 0.89 0.51 -0.30 1.51 4.22 -1.33 -0.23 114.58 119.86 1ukx h GLU 117 Ca 0.21 -0.08 0.03 0.00 0.08 0.00 0.00 59.36 59.60 1ukx h GLU 117 Cb 0.18 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1ukx h GLU 117 CO -0.02 0.47 0.12 -0.07 -2.18 0.00 0.00 179.01 177.34 1ukx h LEU 118 N 0.42 0.15 0.16 1.64 3.38 -0.61 0.13 115.31 120.59 1ukx h LEU 118 Ca 0.12 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1ukx h LEU 118 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1ukx h LEU 118 CO -0.01 0.12 -0.18 0.00 0.09 0.00 0.00 178.44 178.46 1ukx h ALA 119 N 1.18 -0.35 -0.92 1.53 0.00 -1.08 -1.85 119.26 117.77 1ukx h ALA 119 Ca 0.13 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1ukx h ALA 119 Cb 0.08 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1ukx h ALA 119 CO -0.12 -0.72 0.61 0.45 0.00 0.00 0.00 179.25 179.47 1ukx h HIS 120 N -0.38 1.15 -0.50 0.00 3.86 -0.44 -0.63 115.15 118.21 1ukx h HIS 120 Ca 0.01 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.26 1ukx h HIS 120 Cb 0.37 -0.39 -0.03 0.00 1.06 0.00 0.00 27.41 28.42 1ukx h HIS 120 CO -0.15 0.72 0.31 1.25 0.86 0.00 0.00 177.93 180.92 1ukx h HIS 121 N 1.24 0.59 -0.09 2.45 6.17 -0.66 -0.13 115.15 124.72 1ukx h HIS 121 Ca 0.34 0.02 0.03 0.00 0.71 0.00 0.00 60.37 61.46 1ukx h HIS 121 Cb -0.14 -0.19 -0.03 0.00 2.52 0.00 0.00 27.41 29.57 1ukx h HIS 121 CO -0.01 0.35 -0.07 0.28 0.71 0.00 0.00 177.93 179.19 1ukx h VAL 122 N 0.63 0.79 -0.80 5.26 2.07 -0.94 -0.84 116.25 122.43 1ukx h VAL 122 Ca 0.20 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.76 1ukx h VAL 122 Cb -0.02 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 1ukx h VAL 122 CO -0.07 0.00 0.50 1.56 0.02 0.00 0.00 177.57 179.58 1ukx h GLN 123 N -0.08 0.94 -0.10 1.57 4.20 0.05 0.32 115.11 122.00 1ukx h GLN 123 Ca 0.06 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ukx h GLN 123 Cb 0.17 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 1ukx h GLN 123 CO -0.14 0.62 0.06 0.77 -0.67 0.00 0.00 178.83 179.47 1ukx h SER 124 N 0.96 0.13 -0.56 1.46 0.02 -0.95 -2.66 113.55 111.95 1ukx h SER 124 Ca 0.33 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.22 1ukx h SER 124 Cb 0.05 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1ukx h SER 124 CO -0.13 0.16 0.37 0.15 -1.14 0.00 0.00 176.83 176.23 1ukx h PHE 125 N 0.08 0.69 -0.13 3.45 3.57 -0.39 -2.25 116.94 121.97 1ukx h PHE 125 Ca 0.04 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1ukx h PHE 125 Cb 0.06 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1ukx h PHE 125 CO -0.05 0.43 0.06 -0.07 -2.23 0.00 0.00 178.31 176.45 1ukx h LEU 126 N 0.74 0.10 -0.86 0.59 3.38 -0.89 -2.20 115.31 116.17 1ukx h LEU 126 Ca 0.21 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.27 1ukx h LEU 126 Cb -0.06 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.60 1ukx h LEU 126 CO -0.06 0.08 0.51 0.77 0.09 0.00 0.00 178.44 179.83 1ukx h SER 127 N 0.14 0.76 -0.14 -0.43 4.64 -1.10 -0.39 113.55 117.03 1ukx h SER 127 Ca 0.05 0.04 0.04 0.00 -0.47 0.00 0.00 61.79 61.45 1ukx h SER 127 Cb 0.01 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 61.94 1ukx h SER 127 CO -0.04 0.45 -0.15 -0.08 -0.87 0.00 0.00 176.83 176.15 1ukx h GLU 128 N 0.88 -0.17 0.00 4.77 4.22 -0.83 -0.27 114.58 123.17 1ukx h GLU 128 Ca 0.40 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.86 1ukx h GLU 128 Cb 0.32 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1ukx h GLU 128 CO -0.23 -0.11 0.00 0.45 -2.18 0.00 0.00 179.01 176.94 1ukx h HIS 129 N -0.18 0.00 -0.94 0.92 3.86 -1.15 -3.42 115.15 114.25 1ukx h HIS 129 Ca 0.10 0.00 -0.48 0.00 -1.16 0.00 0.00 60.37 58.82 1ukx h HIS 129 Cb 0.32 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.71 1ukx h HIS 129 CO -0.27 0.00 1.24 1.21 0.86 0.00 0.00 177.93 180.97 1ukx s ASN 130 N -4.88 5.98 0.16 2.45 3.84 -0.11 -4.97 114.94 117.41 1ukx s ASN 130 Ca 0.04 -1.22 -0.14 0.00 0.21 0.00 0.00 52.86 51.75 1ukx s ASN 130 Cb 0.09 -2.57 -0.07 0.00 -0.55 0.00 0.00 41.25 38.15 1ukx s ASN 130 CO 0.48 -1.99 0.56 -0.54 -2.79 0.00 0.00 177.10 172.82 1ukx s LYS 131 N 5.73 3.98 0.14 0.43 -0.14 -1.26 -4.95 119.74 123.67 1ukx s LYS 131 Ca 0.56 0.50 -0.34 0.00 -1.36 0.00 0.00 55.97 55.33 1ukx s LYS 131 Cb -0.02 -2.91 -0.14 0.00 -1.68 0.00 0.00 37.83 33.08 1ukx s LYS 131 CO -0.05 0.46 1.60 0.43 -0.76 0.00 0.00 175.35 177.04 1ukx n SER 132 N 0.73 3.13 -4.84 2.83 7.64 -1.26 -5.01 113.62 116.84 1ukx n SER 132 Ca -0.05 1.07 -0.29 0.00 1.01 0.00 0.00 58.87 60.62 1ukx n SER 132 Cb 0.52 -1.42 -0.05 0.00 -1.01 0.00 0.00 64.21 62.24 1ukx n SER 132 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ukx s GLY 133 N 1.20 1.95 0.66 0.23 0.00 -1.26 -5.12 107.32 104.98 1ukx s GLY 133 Ca 0.80 -1.01 -0.11 0.00 0.00 0.00 0.00 44.72 44.40 1ukx s GLY 133 CO 0.39 -1.00 1.05 2.56 0.00 0.00 0.00 173.10 176.09 1ukx s PRO 134 N -2.70 3.25 0.66 2.90 0.04 -1.26 -5.10 135.00 132.79 1ukx s PRO 134 Ca 0.32 0.88 -0.03 0.00 0.04 0.00 0.00 61.00 62.20 1ukx s PRO 134 Cb -0.12 -2.03 0.07 0.00 0.04 0.00 0.00 34.50 32.46 1ukx s PRO 134 CO 0.25 -0.85 0.94 -1.54 0.04 0.00 0.00 177.00 175.84 1ukx s SER 135 N -3.91 4.81 1.05 6.66 1.04 -1.26 -5.12 113.70 116.96 1ukx s SER 135 Ca 0.57 0.12 -0.13 0.00 0.48 0.00 0.00 55.95 56.99 1ukx s SER 135 Cb -0.13 -0.78 0.21 0.00 0.10 0.00 0.00 66.02 65.43 1ukx s SER 135 CO 0.54 -1.54 1.09 -0.94 0.98 0.00 0.00 173.24 173.36 1ukx s SER 136 N -4.54 2.19 0.00 7.02 1.04 -1.26 -5.35 113.70 112.79 1ukx s SER 136 Ca 0.61 1.15 0.00 0.00 0.48 0.00 0.00 55.95 58.19 1ukx s SER 136 Cb -0.09 -1.80 0.00 0.00 0.10 0.00 0.00 66.02 64.23 1ukx s SER 136 CO 0.43 -3.40 0.00 0.61 0.98 0.00 0.00 173.24 171.86