#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ukx n SER 2 N 0.00 0.00 -3.73 1.61 2.88 -1.26 -5.11 113.62 108.01 1ukx n SER 2 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 1ukx n SER 2 Cb 0.00 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 63.70 1ukx n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ukx s SER 3 N 1.00 0.84 0.00 -3.46 0.01 -1.26 -5.02 113.70 105.80 1ukx s SER 3 Ca 0.00 0.56 0.00 0.00 1.31 0.00 0.00 55.95 57.82 1ukx s SER 3 Cb 0.00 -0.75 0.00 0.00 0.21 0.00 0.00 66.02 65.48 1ukx s SER 3 CO 0.00 -4.17 0.00 0.61 0.41 0.00 0.00 173.24 170.09 1ukx n GLY 4 N -1.06 -1.22 3.18 3.44 0.00 -1.26 -5.04 105.19 103.23 1ukx n GLY 4 Ca 0.14 0.67 -0.18 0.00 0.00 0.00 0.00 46.02 46.65 1ukx n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ukx n SER 5 N 0.00 -2.60 -3.82 1.61 2.88 -1.26 -4.51 113.62 105.91 1ukx n SER 5 Ca 0.00 -0.19 -0.13 0.00 -1.33 0.00 0.00 58.87 57.22 1ukx n SER 5 Cb 0.00 -2.23 -0.14 0.00 -0.75 0.00 0.00 64.21 61.08 1ukx n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ukx s SER 6 N -2.50 -0.03 0.00 -3.46 0.01 -1.26 -4.69 113.70 101.77 1ukx s SER 6 Ca 0.30 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.66 1ukx s SER 6 Cb -0.17 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.13 1ukx s SER 6 CO 0.37 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.57 1ukx n GLY 7 N 3.44 1.83 2.52 3.44 0.00 -1.26 -4.81 105.19 110.35 1ukx n GLY 7 Ca -0.17 0.22 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 -1.05 -1.45 1.61 1.56 -1.26 -5.07 117.12 111.46 1ukx n MET 8 Ca 0.00 0.91 0.00 0.00 -0.27 0.00 0.00 57.70 58.34 1ukx n MET 8 Cb 0.00 -4.19 0.00 0.00 2.15 0.00 0.00 33.22 31.18 1ukx n MET 8 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 1ukx n GLU 9 N -1.90 0.00 -0.07 2.12 0.28 -1.26 -5.11 120.64 114.70 1ukx n GLU 9 Ca -0.02 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.85 1ukx n GLU 9 Cb 0.53 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.29 1ukx n GLU 9 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1ukx h SER 10 N 0.00 0.00 0.55 -1.84 0.87 -1.97 -3.39 113.55 107.76 1ukx h SER 10 Ca 0.00 -0.73 -0.10 0.00 -1.23 0.00 0.00 61.79 59.73 1ukx h SER 10 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1ukx h SER 10 CO 0.00 1.00 -0.47 1.88 -0.53 0.00 0.00 176.83 178.71 1ukx h TYR 11 N -1.00 0.00 -0.05 2.24 0.05 -1.91 -1.97 116.97 114.33 1ukx h TYR 11 Ca -0.06 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.73 1ukx h TYR 11 Cb 0.88 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.62 1ukx h TYR 11 CO 0.19 0.47 0.04 0.66 -1.05 0.00 0.00 178.16 178.46 1ukx h SER 12 N 0.00 0.03 -0.13 3.88 4.64 -1.82 -2.13 113.55 118.02 1ukx h SER 12 Ca -0.00 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 1ukx h SER 12 Cb 0.87 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1ukx h SER 12 CO 0.06 0.02 -0.24 1.56 -0.87 0.00 0.00 176.83 177.36 1ukx h GLN 13 N 0.03 0.39 -0.68 4.77 4.20 -1.55 -0.40 115.11 121.88 1ukx h GLN 13 Ca 0.02 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 1ukx h GLN 13 Cb 0.05 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 1ukx h GLN 13 CO -0.00 0.85 0.39 0.00 -0.67 0.00 0.00 178.83 179.40 1ukx h ARG 14 N -0.03 0.93 0.12 1.46 3.08 -1.57 -1.25 114.38 117.12 1ukx h ARG 14 Ca 0.00 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 59.97 1ukx h ARG 14 Cb 0.83 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 1ukx h ARG 14 CO 0.05 0.68 -0.13 1.96 -1.07 0.00 0.00 179.97 181.46 1ukx h GLN 15 N 0.92 -0.27 -0.66 0.04 4.20 -1.24 -1.95 115.11 116.16 1ukx h GLN 15 Ca 0.24 0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.01 1ukx h GLN 15 Cb 0.00 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.79 1ukx h GLN 15 CO -0.04 -0.18 0.38 -0.44 -0.67 0.00 0.00 178.83 177.88 1ukx h ASP 16 N -0.28 0.60 -0.70 1.46 5.19 -0.93 -0.61 116.42 121.15 1ukx h ASP 16 Ca 0.01 0.02 0.13 0.00 -0.62 0.00 0.00 57.03 56.56 1ukx h ASP 16 Cb 0.27 -0.11 -0.09 0.00 0.18 0.00 0.00 39.33 39.59 1ukx h ASP 16 CO -0.04 0.40 0.26 -0.74 -3.12 0.00 0.00 179.24 176.00 1ukx h HIS 17 N 0.73 0.43 0.08 4.55 2.76 -0.95 -1.85 115.15 120.90 1ukx h HIS 17 Ca 0.28 0.04 -0.28 0.00 -2.20 0.00 0.00 60.37 58.21 1ukx h HIS 17 Cb 0.10 -0.09 0.02 0.00 1.55 0.00 0.00 27.41 29.00 1ukx h HIS 17 CO -0.06 0.05 -1.15 0.93 -1.30 0.00 0.00 177.93 176.40 1ukx h GLU 18 N 0.40 0.56 0.11 5.26 3.07 -0.39 -1.82 114.58 121.78 1ukx h GLU 18 Ca 0.38 -0.70 0.01 0.00 -0.50 0.00 0.00 59.36 58.55 1ukx h GLU 18 Cb 0.56 0.22 -0.03 0.00 -0.84 0.00 0.00 28.75 28.66 1ukx h GLU 18 CO -0.39 1.30 -0.21 -0.07 -1.40 0.00 0.00 179.01 178.24 1ukx h LEU 19 N 0.27 -0.58 -1.10 1.33 3.38 -0.83 0.35 115.31 118.14 1ukx h LEU 19 Ca -0.15 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1ukx h LEU 19 Cb 1.82 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.76 1ukx h LEU 19 CO 0.21 -0.29 0.12 1.56 0.09 0.00 0.00 178.44 180.13 1ukx h GLN 20 N -0.39 0.76 -0.48 1.13 4.20 -1.40 -1.26 115.11 117.68 1ukx h GLN 20 Ca 0.03 -0.15 -0.12 0.00 0.06 0.00 0.00 58.65 58.47 1ukx h GLN 20 Cb 0.41 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1ukx h GLN 20 CO -0.11 0.69 -0.16 0.00 -0.67 0.00 0.00 178.83 178.57 1ukx h ALA 21 N 1.40 0.81 -0.56 3.87 0.00 -0.73 -1.11 119.26 122.93 1ukx h ALA 21 Ca 0.16 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1ukx h ALA 21 Cb 0.28 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1ukx h ALA 21 CO -0.00 0.65 0.11 -0.07 0.00 0.00 0.00 179.25 179.94 1ukx h LEU 22 N 0.81 0.84 -0.97 0.00 3.38 0.11 -1.74 115.31 117.74 1ukx h LEU 22 Ca 0.12 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 1ukx h LEU 22 Cb 0.70 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1ukx h LEU 22 CO 0.05 0.83 -0.45 -0.08 0.09 0.00 0.00 178.44 178.89 1ukx h GLU 23 N 0.85 0.15 0.00 1.13 4.81 -1.05 0.11 114.58 120.58 1ukx h GLU 23 Ca 0.18 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1ukx h GLU 23 Cb 0.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1ukx h GLU 23 CO 0.00 0.57 0.00 0.00 -0.73 0.00 0.00 179.01 178.86 1ukx n ALA 24 N -2.47 2.07 -0.04 2.92 0.00 -0.44 -1.30 120.51 121.25 1ukx n ALA 24 Ca -0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 1ukx n ALA 24 Cb 0.49 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 1ukx n ALA 24 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1ukx n ILE 25 N -1.86 0.81 0.05 0.00 2.08 -0.75 -4.84 119.36 114.85 1ukx n ILE 25 Ca 0.05 0.30 0.07 0.00 0.56 0.00 0.00 62.75 63.73 1ukx n ILE 25 Cb 0.31 -1.91 -0.07 0.00 -0.75 0.00 0.00 39.64 37.23 1ukx n ILE 25 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 1ukx n TYR 26 N -3.53 0.72 0.00 1.39 4.01 0.35 -4.99 117.16 115.11 1ukx n TYR 26 Ca -0.07 0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 1ukx n TYR 26 Cb 0.26 -0.90 0.00 0.00 -0.31 0.00 0.00 39.34 38.39 1ukx n TYR 26 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ukx n GLY 27 N 1.28 1.02 0.29 2.72 0.00 -0.42 -2.15 105.19 107.92 1ukx n GLY 27 Ca -0.05 0.75 0.09 0.00 0.00 0.00 0.00 46.02 46.81 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 0.09 0.76 1.61 0.02 -1.94 -1.03 113.55 113.06 1ukx h SER 28 Ca 0.00 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1ukx h SER 28 Cb 0.00 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1ukx h SER 28 CO 0.00 0.06 -0.25 0.44 -1.14 0.00 0.00 176.83 175.95 1ukx h ASP 29 N 0.10 0.00 -3.46 3.07 3.32 -1.78 -3.44 116.42 114.24 1ukx h ASP 29 Ca 0.07 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.58 1ukx h ASP 29 Cb 0.14 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 1ukx h ASP 29 CO -0.01 0.25 -0.08 0.12 -1.72 0.00 0.00 179.24 177.79 1ukx s PHE 30 N -3.77 3.44 -0.03 4.55 5.36 -0.39 -1.73 117.98 125.40 1ukx s PHE 30 Ca -0.00 0.94 -0.01 0.00 -0.96 0.00 0.00 56.93 56.90 1ukx s PHE 30 Cb 0.11 -2.31 0.03 0.00 -0.34 0.00 0.00 43.02 40.51 1ukx s PHE 30 CO 0.64 0.27 0.04 -1.14 -1.46 0.00 0.00 175.22 173.57 1ukx s GLN 31 N -2.72 0.02 -0.73 10.12 0.74 -0.23 -4.90 119.66 121.96 1ukx s GLN 31 Ca 0.47 0.25 -0.17 0.00 0.05 0.00 0.00 55.36 55.96 1ukx s GLN 31 Cb -0.12 -0.42 0.15 0.00 1.10 0.00 0.00 33.01 33.72 1ukx s GLN 31 CO 0.20 -0.24 0.79 0.34 -0.55 0.00 0.00 175.29 175.83 1ukx s ASP 32 N 1.56 6.46 0.00 6.67 2.15 -1.26 -2.13 116.67 130.12 1ukx s ASP 32 Ca -0.03 -2.00 0.12 0.00 0.43 0.00 0.00 52.55 51.08 1ukx s ASP 32 Cb -0.13 -2.28 0.37 0.00 -0.30 0.00 0.00 42.92 40.58 1ukx s ASP 32 CO -0.03 -0.90 1.30 0.18 -0.17 0.00 0.00 175.17 175.55 1ukx n LEU 33 N 5.50 2.04 -4.24 -1.34 4.77 -0.52 -4.50 117.00 118.71 1ukx n LEU 33 Ca 0.04 -1.01 -0.43 0.00 -0.03 0.00 0.00 56.01 54.58 1ukx n LEU 33 Cb 0.45 -0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 41.24 1ukx n LEU 33 CO 0.48 0.50 0.20 -0.13 -1.33 0.00 0.00 177.39 177.12 1ukx s ARG 34 N -1.51 3.04 0.10 3.23 1.81 -1.26 -4.82 118.95 119.54 1ukx s ARG 34 Ca 0.26 -2.27 -0.31 0.00 -1.72 0.00 0.00 55.73 51.69 1ukx s ARG 34 Cb 0.14 -4.13 -0.10 0.00 -0.45 0.00 0.00 34.95 30.41 1ukx s ARG 34 CO 0.18 -1.24 1.81 -1.25 -0.68 0.00 0.00 175.30 174.12 1ukx s PRO 35 N 0.48 4.15 -0.33 3.54 0.04 -1.26 -4.73 135.00 136.88 1ukx s PRO 35 Ca 0.14 2.54 -0.25 0.00 0.04 0.00 0.00 61.00 63.47 1ukx s PRO 35 Cb -0.18 -3.68 -0.12 0.00 0.04 0.00 0.00 34.50 30.56 1ukx s PRO 35 CO -0.05 -0.84 1.31 -3.47 0.04 0.00 0.00 177.00 174.00 1ukx n ASP 36 N 5.96 0.41 -0.30 6.66 2.03 -1.26 -4.84 116.55 125.21 1ukx n ASP 36 Ca 0.18 0.37 0.12 0.00 0.52 0.00 0.00 54.79 55.98 1ukx n ASP 36 Cb 0.39 -0.54 0.28 0.00 -0.72 0.00 0.00 41.12 40.53 1ukx n ASP 36 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ukx h ALA 37 N 5.57 1.22 -6.80 -1.67 0.00 -1.94 -3.46 119.26 112.17 1ukx h ALA 37 Ca -0.06 0.23 -0.57 0.00 0.00 0.00 0.00 54.91 54.52 1ukx h ALA 37 Cb 0.83 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1ukx h ALA 37 CO 0.67 -0.47 -0.98 -2.13 0.00 0.00 0.00 179.25 176.34 1ukx n ARG 38 N -5.25 -0.89 -2.30 0.00 0.63 -1.26 -2.07 116.66 105.52 1ukx n ARG 38 Ca 0.21 0.18 0.00 0.00 -0.92 0.00 0.00 57.85 57.31 1ukx n ARG 38 Cb 0.67 -3.24 0.00 0.00 0.45 0.00 0.00 32.46 30.34 1ukx n ARG 38 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ukx n GLY 39 N -2.12 0.80 3.81 5.14 0.00 -1.26 -5.10 105.19 106.45 1ukx n GLY 39 Ca -0.18 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 44.96 1ukx n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ukx s ARG 40 N -4.60 2.22 0.22 1.61 0.52 -0.88 -5.10 118.95 112.94 1ukx s ARG 40 Ca 0.00 -2.09 -0.32 0.00 -0.52 0.00 0.00 55.73 52.80 1ukx s ARG 40 Cb 0.00 -1.88 -0.12 0.00 0.52 0.00 0.00 34.95 33.47 1ukx s ARG 40 CO 0.00 -0.39 1.67 1.33 0.02 0.00 0.00 175.30 177.93 1ukx n VAL 41 N -1.45 0.23 -1.69 3.52 0.24 -1.26 -4.81 118.33 113.11 1ukx n VAL 41 Ca -0.07 -0.06 -0.44 0.00 -2.04 0.00 0.00 64.34 61.73 1ukx n VAL 41 Cb 0.65 -1.90 -0.03 0.00 -1.47 0.00 0.00 33.84 31.09 1ukx n VAL 41 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1ukx n ARG 42 N 3.48 2.34 -4.03 7.34 0.63 -1.26 -5.00 116.66 120.15 1ukx n ARG 42 Ca 0.15 0.84 -0.08 0.00 -0.92 0.00 0.00 57.85 57.83 1ukx n ARG 42 Cb 0.34 -2.60 -0.11 0.00 0.45 0.00 0.00 32.46 30.55 1ukx n ARG 42 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1ukx s GLU 43 N 0.32 0.46 0.45 -0.14 2.02 -1.26 -5.05 118.70 115.50 1ukx s GLU 43 Ca 0.72 -0.89 -0.22 0.00 0.02 0.00 0.00 54.97 54.60 1ukx s GLU 43 Cb -0.60 0.12 -0.09 0.00 0.10 0.00 0.00 34.13 33.66 1ukx s GLU 43 CO 0.42 -0.07 1.05 -1.25 0.02 0.00 0.00 175.26 175.43 1ukx s PRO 44 N -2.55 3.95 -0.86 0.39 0.04 -1.26 -4.95 135.00 129.76 1ukx s PRO 44 Ca -0.05 1.44 -0.25 0.00 0.04 0.00 0.00 61.00 62.18 1ukx s PRO 44 Cb -0.02 -2.30 -0.01 0.00 0.04 0.00 0.00 34.50 32.22 1ukx s PRO 44 CO -0.05 -0.32 1.71 -1.25 0.04 0.00 0.00 177.00 177.14 1ukx s PRO 45 N -2.90 2.93 0.13 0.56 0.04 -0.90 -4.92 135.00 129.94 1ukx s PRO 45 Ca 0.63 -0.35 -0.31 0.00 0.04 0.00 0.00 61.00 61.01 1ukx s PRO 45 Cb -0.19 -4.92 -0.09 0.00 0.04 0.00 0.00 34.50 29.34 1ukx s PRO 45 CO 0.24 -2.79 1.61 -2.00 0.04 0.00 0.00 177.00 174.09 1ukx s GLU 46 N 6.31 4.21 0.33 4.56 2.12 -1.25 -4.21 118.70 130.76 1ukx s GLU 46 Ca 0.59 2.35 0.06 0.00 0.36 0.00 0.00 54.97 58.33 1ukx s GLU 46 Cb -0.06 -3.33 -0.06 0.00 0.26 0.00 0.00 34.13 30.93 1ukx s GLU 46 CO 0.03 -0.66 -0.01 0.96 -0.54 0.00 0.00 175.26 175.03 1ukx s ILE 47 N 1.75 1.65 -0.04 -3.70 -4.36 -0.86 -1.44 121.20 114.21 1ukx s ILE 47 Ca 0.72 -2.07 -0.01 0.00 -0.26 0.00 0.00 60.65 59.02 1ukx s ILE 47 Cb -0.42 -2.69 0.03 0.00 1.25 0.00 0.00 42.46 40.63 1ukx s ILE 47 CO 0.32 -0.14 0.05 0.21 0.24 0.00 0.00 174.94 175.62 1ukx s ASN 48 N -3.53 0.96 -0.25 4.36 2.47 -0.90 -3.58 114.94 114.47 1ukx s ASN 48 Ca 0.33 0.05 0.02 0.00 0.42 0.00 0.00 52.86 53.68 1ukx s ASN 48 Cb 0.06 -0.16 0.06 0.00 -1.45 0.00 0.00 41.25 39.77 1ukx s ASN 48 CO 0.15 -0.22 -0.09 -0.76 -3.72 0.00 0.00 177.10 172.46 1ukx s LEU 49 N 1.91 3.02 0.23 3.21 1.43 0.09 -1.07 118.68 127.50 1ukx s LEU 49 Ca 0.02 -1.28 -0.30 0.00 -1.03 0.00 0.00 54.13 51.54 1ukx s LEU 49 Cb -0.12 -1.38 -0.09 0.00 0.03 0.00 0.00 46.19 44.62 1ukx s LEU 49 CO -0.03 -0.21 1.37 -0.69 0.23 0.00 0.00 176.35 177.03 1ukx s VAL 50 N 1.24 2.91 0.03 -1.59 1.01 -0.71 -0.56 120.40 122.74 1ukx s VAL 50 Ca -0.07 0.77 0.02 0.00 0.00 0.00 0.00 61.98 62.69 1ukx s VAL 50 Cb -0.19 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 1ukx s VAL 50 CO -0.06 0.12 -0.07 -0.76 0.00 0.00 0.00 175.10 174.33 1ukx s LEU 51 N -0.32 2.21 0.29 3.92 1.43 -1.10 -4.85 118.68 120.26 1ukx s LEU 51 Ca 0.58 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 53.27 1ukx s LEU 51 Cb -0.39 -0.19 -0.06 0.00 0.03 0.00 0.00 46.19 45.58 1ukx s LEU 51 CO 0.41 -0.15 0.00 -0.31 0.23 0.00 0.00 176.35 176.54 1ukx s TYR 52 N -1.12 1.90 0.37 0.29 2.02 -1.26 -3.39 117.35 116.16 1ukx s TYR 52 Ca -0.07 -0.85 -0.25 0.00 -0.37 0.00 0.00 57.07 55.53 1ukx s TYR 52 Cb -0.08 -1.17 -0.09 0.00 -0.40 0.00 0.00 41.96 40.22 1ukx s TYR 52 CO 0.00 0.11 1.03 -1.25 -1.57 0.00 0.00 175.55 173.87 1ukx s PRO 53 N -3.82 4.32 1.19 -1.71 0.04 -1.26 -4.44 135.00 129.31 1ukx s PRO 53 Ca 0.32 1.48 -0.15 0.00 0.04 0.00 0.00 61.00 62.70 1ukx s PRO 53 Cb 0.06 -2.66 0.29 0.00 0.04 0.00 0.00 34.50 32.24 1ukx s PRO 53 CO 0.13 -0.00 1.02 -1.14 0.04 0.00 0.00 177.00 177.05 1ukx s GLN 54 N -2.30 -1.12 0.00 4.56 0.74 -1.26 -2.58 119.66 117.69 1ukx s GLN 54 Ca 0.55 0.59 0.00 0.00 0.05 0.00 0.00 55.36 56.55 1ukx s GLN 54 Cb -0.22 -1.55 0.00 0.00 1.10 0.00 0.00 33.01 32.34 1ukx s GLN 54 CO 0.27 -3.79 0.00 0.41 -0.55 0.00 0.00 175.29 171.63 1ukx n GLY 55 N 0.48 2.31 0.16 2.59 0.00 -1.26 -4.36 105.19 105.10 1ukx n GLY 55 Ca 0.05 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 0.43 -2.32 0.99 3.38 -1.88 -3.48 115.31 112.43 1ukx h LEU 56 Ca 0.00 -0.22 -0.44 0.00 0.09 0.00 0.00 57.88 57.31 1ukx h LEU 56 Cb 0.00 -0.11 0.04 0.00 0.09 0.00 0.00 40.66 40.68 1ukx h LEU 56 CO 0.00 0.54 -0.89 0.00 0.09 0.00 0.00 178.44 178.18 1ukx n ALA 57 N -2.30 -2.21 0.00 1.53 0.00 -1.06 -1.82 120.51 114.64 1ukx n ALA 57 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1ukx n ALA 57 Cb 0.18 -2.69 0.00 0.00 0.00 0.00 0.00 19.45 16.94 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 -1.72 2.22 3.61 0.00 0.00 -1.26 -5.02 105.19 103.02 1ukx n GLY 58 Ca -0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.58 3.51 0.01 1.61 2.02 -0.76 -4.61 118.70 119.91 1ukx s GLU 59 Ca 0.00 1.49 0.00 0.00 0.02 0.00 0.00 54.97 56.48 1ukx s GLU 59 Cb 0.00 -4.13 0.00 0.00 0.10 0.00 0.00 34.13 30.10 1ukx s GLU 59 CO 0.00 -1.64 0.00 0.39 0.02 0.00 0.00 175.26 174.03 1ukx n GLU 60 N 8.15 0.00 -0.18 1.61 -0.58 -1.26 -4.82 120.64 123.56 1ukx n GLU 60 Ca 0.21 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 1ukx n GLU 60 Cb 0.46 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.33 1ukx n GLU 60 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1ukx n VAL 61 N 0.00 -1.48 -0.07 2.62 0.31 -1.26 -4.99 118.33 113.47 1ukx n VAL 61 Ca 0.00 0.26 -0.22 0.00 -0.01 0.00 0.00 64.34 64.37 1ukx n VAL 61 Cb 0.00 -0.55 -0.12 0.00 -0.91 0.00 0.00 33.84 32.25 1ukx n VAL 61 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1ukx n TYR 62 N -0.86 0.94 -4.28 3.52 4.02 -1.26 -4.96 117.16 114.28 1ukx n TYR 62 Ca 0.00 0.30 -0.18 0.00 -0.01 0.00 0.00 57.90 58.01 1ukx n TYR 62 Cb 0.00 -1.11 -0.15 0.00 -0.02 0.00 0.00 39.34 38.06 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 -2.46 0.60 0.17 -0.72 -7.23 -1.26 -1.82 120.40 107.68 1ukx s VAL 63 Ca -0.28 -0.30 -0.19 0.00 -1.81 0.00 0.00 61.98 59.41 1ukx s VAL 63 Cb 0.07 -0.53 0.04 0.00 0.56 0.00 0.00 36.38 36.53 1ukx s VAL 63 CO 0.65 0.18 0.52 0.00 -0.31 0.00 0.00 175.10 176.14 1ukx s GLN 64 N 0.02 1.29 0.11 4.82 -2.07 -1.26 -4.13 119.66 118.44 1ukx s GLN 64 Ca 0.00 -0.72 -0.09 0.00 -1.82 0.00 0.00 55.36 52.72 1ukx s GLN 64 Cb -0.05 0.53 -0.00 0.00 -1.09 0.00 0.00 33.01 32.40 1ukx s GLN 64 CO -0.00 -0.55 0.24 0.54 -1.32 0.00 0.00 175.29 174.20 1ukx s VAL 65 N -3.82 0.11 -0.15 3.63 0.11 -1.22 -2.20 120.40 116.86 1ukx s VAL 65 Ca 0.05 -1.19 -0.11 0.00 -2.93 0.00 0.00 61.98 57.80 1ukx s VAL 65 Cb -0.00 -1.47 -0.05 0.00 -1.53 0.00 0.00 36.38 33.33 1ukx s VAL 65 CO -0.08 -0.52 0.22 -1.61 -3.33 0.00 0.00 175.10 169.79 1ukx s GLU 66 N -3.89 4.04 -0.29 1.54 2.02 0.23 -2.71 118.70 119.63 1ukx s GLU 66 Ca 0.08 -0.02 -0.17 0.00 0.02 0.00 0.00 54.97 54.89 1ukx s GLU 66 Cb 0.04 -3.36 -0.02 0.00 0.10 0.00 0.00 34.13 30.89 1ukx s GLU 66 CO -0.08 0.41 0.48 -1.17 0.02 0.00 0.00 175.26 174.92 1ukx s LEU 67 N -0.01 4.15 -0.33 1.80 2.96 0.27 -0.86 118.68 126.66 1ukx s LEU 67 Ca 0.14 0.27 -0.06 0.00 -0.22 0.00 0.00 54.13 54.26 1ukx s LEU 67 Cb -0.13 -2.57 0.04 0.00 0.50 0.00 0.00 46.19 44.03 1ukx s LEU 67 CO 0.03 -0.33 0.09 -0.13 -1.32 0.00 0.00 176.35 174.69 1ukx s ARG 68 N 2.27 2.59 -0.15 1.98 1.81 0.19 -0.73 118.95 126.91 1ukx s ARG 68 Ca 0.19 -1.19 0.02 0.00 -1.72 0.00 0.00 55.73 53.03 1ukx s ARG 68 Cb -0.16 -3.41 0.01 0.00 -0.45 0.00 0.00 34.95 30.94 1ukx s ARG 68 CO 0.11 -0.66 -0.21 0.08 -0.68 0.00 0.00 175.30 173.94 1ukx s VAL 69 N 1.38 2.14 -0.11 3.52 1.01 -1.23 -2.13 120.40 124.97 1ukx s VAL 69 Ca -0.02 -0.95 0.14 0.00 0.00 0.00 0.00 61.98 61.15 1ukx s VAL 69 Cb -0.20 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 1ukx s VAL 69 CO 0.02 0.54 1.27 0.07 0.00 0.00 0.00 175.10 177.00 1ukx h LYS 70 N 7.39 0.00 -4.13 2.72 2.10 -1.75 -2.28 116.57 120.63 1ukx h LYS 70 Ca -0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.31 1ukx h LYS 70 Cb 1.18 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1ukx h LYS 70 CO 0.57 0.52 -0.09 0.00 -2.00 0.00 0.00 179.45 178.45 1ukx n PRO 72 N 2.00 -0.35 0.00 0.00 -0.04 -1.26 -4.25 135.00 131.10 1ukx n PRO 72 Ca -0.00 -0.04 0.01 0.00 -0.04 0.00 0.00 63.50 63.42 1ukx n PRO 72 Cb 0.00 -2.23 0.04 0.00 -0.04 0.00 0.00 33.50 31.28 1ukx n PRO 72 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1ukx n PRO 73 N -3.40 0.42 0.00 0.54 -0.04 -1.26 -1.44 135.00 129.82 1ukx n PRO 73 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1ukx n PRO 73 Cb 0.52 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 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 -0.55 0.00 -1.72 0.52 -2.24 -1.26 -4.62 114.28 104.41 1ukx n THR 74 Ca 0.01 -0.36 -0.41 0.00 -2.27 0.00 0.00 64.05 61.03 1ukx n THR 74 Cb 0.00 1.03 0.01 0.00 -2.10 0.00 0.00 70.33 69.28 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 -0.64 2.27 0.02 4.78 4.19 -0.52 -0.70 117.16 126.55 1ukx n TYR 75 Ca 0.00 0.49 0.05 0.00 3.31 0.00 0.00 57.90 61.74 1ukx n TYR 75 Cb 0.01 -2.40 0.23 0.00 0.49 0.00 0.00 39.34 37.68 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 -0.02 3.06 0.20 2.98 -0.04 -1.26 -4.80 135.00 135.12 1ukx n PRO 76 Ca 0.06 -1.84 0.04 0.00 -0.04 0.00 0.00 63.50 61.73 1ukx n PRO 76 Cb 0.40 -1.82 0.43 0.00 -0.04 0.00 0.00 33.50 32.46 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 2.46 0.00 -3.49 3.54 3.58 -1.22 -2.83 116.42 118.47 1ukx h ASP 77 Ca 0.00 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.93 1ukx h ASP 77 Cb 1.21 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 42.09 1ukx h ASP 77 CO 0.23 0.31 -0.78 0.68 -2.88 0.00 0.00 179.24 176.80 1ukx s VAL 78 N -4.23 1.84 0.33 2.25 -7.23 -1.18 -4.64 120.40 107.54 1ukx s VAL 78 Ca -0.03 -1.95 -0.29 0.00 -1.81 0.00 0.00 61.98 57.90 1ukx s VAL 78 Cb 0.14 -1.87 -0.11 0.00 0.56 0.00 0.00 36.38 35.10 1ukx s VAL 78 CO 0.70 -0.34 1.53 0.68 -0.31 0.00 0.00 175.10 177.36 1ukx s VAL 79 N -2.12 2.11 0.99 1.32 -7.23 -1.26 -4.23 120.40 109.98 1ukx s VAL 79 Ca 0.17 0.10 -0.13 0.00 -1.81 0.00 0.00 61.98 60.30 1ukx s VAL 79 Cb -0.05 -3.06 0.18 0.00 0.56 0.00 0.00 36.38 34.01 1ukx s VAL 79 CO 0.07 0.02 1.12 -2.16 -0.31 0.00 0.00 175.10 173.84 1ukx s PRO 80 N -1.29 0.48 0.53 4.82 0.04 -1.26 -4.88 135.00 133.44 1ukx s PRO 80 Ca 0.58 0.33 -0.11 0.00 0.04 0.00 0.00 61.00 61.84 1ukx s PRO 80 Cb -0.47 -1.76 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 1ukx s PRO 80 CO 0.55 -2.66 0.93 -1.21 0.04 0.00 0.00 177.00 174.66 1ukx s GLU 81 N -5.15 3.71 -0.02 4.56 2.02 -1.26 -5.03 118.70 117.52 1ukx s GLU 81 Ca 0.66 0.66 0.00 0.00 0.02 0.00 0.00 54.97 56.31 1ukx s GLU 81 Cb -0.16 -2.20 0.02 0.00 0.10 0.00 0.00 34.13 31.90 1ukx s GLU 81 CO 0.56 -0.34 0.00 0.42 0.02 0.00 0.00 175.26 175.92 1ukx s ILE 82 N -2.83 0.11 -0.13 -1.63 1.01 -1.26 -4.30 121.20 112.17 1ukx s ILE 82 Ca 0.54 0.09 -0.04 0.00 0.00 0.00 0.00 60.65 61.24 1ukx s ILE 82 Cb -0.10 -0.20 0.06 0.00 0.01 0.00 0.00 42.46 42.23 1ukx s ILE 82 CO 0.43 0.11 0.24 -1.81 0.00 0.00 0.00 174.94 173.92 1ukx s ASP 83 N 0.85 0.49 -0.19 3.58 1.01 -0.91 -5.04 116.67 116.47 1ukx s ASP 83 Ca -0.08 0.49 -0.04 0.00 0.71 0.00 0.00 52.55 53.62 1ukx s ASP 83 Cb -0.11 0.61 -0.02 0.00 1.01 0.00 0.00 42.92 44.41 1ukx s ASP 83 CO -0.02 -0.25 -0.03 -0.76 0.21 0.00 0.00 175.17 174.33 1ukx s LEU 84 N 2.39 3.11 0.27 1.23 1.02 -1.26 -0.64 118.68 124.81 1ukx s LEU 84 Ca 0.02 -0.25 0.05 0.00 0.02 0.00 0.00 54.13 53.97 1ukx s LEU 84 Cb -0.12 -1.78 -0.06 0.00 0.02 0.00 0.00 46.19 44.25 1ukx s LEU 84 CO -0.08 0.07 -0.03 -0.54 0.02 0.00 0.00 176.35 175.78 1ukx s LYS 85 N 0.96 1.49 -1.02 1.70 -0.14 -0.04 -4.90 119.74 117.80 1ukx s LYS 85 Ca 0.01 -1.76 -0.15 0.00 -1.36 0.00 0.00 55.97 52.70 1ukx s LYS 85 Cb -0.14 -0.96 0.00 0.00 -1.68 0.00 0.00 37.83 35.05 1ukx s LYS 85 CO 0.01 -0.02 0.72 0.09 -0.76 0.00 0.00 175.35 175.39 1ukx n ASN 86 N -0.54 -5.39 -4.71 2.83 3.02 -1.26 -0.60 115.26 108.61 1ukx n ASN 86 Ca -0.05 -0.92 -0.41 0.00 -0.03 0.00 0.00 54.58 53.16 1ukx n ASN 86 Cb 0.64 -2.98 -0.04 0.00 -0.61 0.00 0.00 39.78 36.80 1ukx n ASN 86 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ukx s ALA 87 N -3.30 3.23 0.00 5.41 0.00 -1.26 -4.13 121.76 121.72 1ukx s ALA 87 Ca 0.30 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1ukx s ALA 87 Cb -0.12 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1ukx s ALA 87 CO 0.87 -0.22 0.00 1.63 0.00 0.00 0.00 175.76 178.04 1ukx n LYS 88 N 3.95 0.00 0.14 0.00 4.01 -0.93 -3.71 118.16 121.61 1ukx n LYS 88 Ca 0.04 0.00 0.08 0.00 -0.51 0.00 0.00 58.31 57.92 1ukx n LYS 88 Cb 0.51 0.00 0.42 0.00 -0.51 0.00 0.00 35.03 35.45 1ukx n LYS 88 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ukx n GLY 89 N 4.25 -0.71 0.52 0.72 0.00 -0.76 -0.58 105.19 108.63 1ukx n GLY 89 Ca 0.00 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.06 1.82 -2.69 0.99 4.77 -1.26 -4.96 117.00 113.60 1ukx n LEU 90 Ca -0.01 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 1ukx n LEU 90 Cb 0.15 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1ukx n LEU 90 CO 0.07 0.32 0.00 -1.20 -1.33 0.00 0.00 177.39 175.25 1ukx n SER 91 N 0.14 0.00 -0.39 -1.43 7.64 0.25 0.42 113.62 120.25 1ukx n SER 91 Ca 0.14 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.96 1ukx n SER 91 Cb 0.43 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.61 1ukx n SER 91 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1ukx n ASN 92 N 0.46 -5.84 0.00 6.43 2.85 -1.26 -4.93 115.26 112.97 1ukx n ASN 92 Ca 0.00 0.13 0.00 0.00 -0.11 0.00 0.00 54.58 54.60 1ukx n ASN 92 Cb 0.00 -3.79 0.00 0.00 1.24 0.00 0.00 39.78 37.23 1ukx n ASN 92 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1ukx n GLU 93 N 0.12 0.00 0.00 1.20 1.02 0.17 -4.53 120.64 118.62 1ukx n GLU 93 Ca -0.05 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.10 1ukx n GLU 93 Cb 0.54 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 32.04 1ukx n GLU 93 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1ukx n SER 94 N 0.00 0.00 -0.25 1.62 7.64 -1.24 -1.30 113.62 120.10 1ukx n SER 94 Ca 0.00 -0.31 -0.04 0.00 1.01 0.00 0.00 58.87 59.53 1ukx n SER 94 Cb 0.00 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.27 1ukx n SER 94 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1ukx h VAL 95 N 0.00 1.13 -0.75 0.44 2.07 -1.81 -2.57 116.25 114.76 1ukx h VAL 95 Ca 0.00 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.25 1ukx h VAL 95 Cb 0.00 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 29.89 1ukx h VAL 95 CO 0.00 0.16 0.50 0.78 0.02 0.00 0.00 177.57 179.03 1ukx h ASN 96 N 0.88 0.80 0.81 0.57 2.35 -1.43 -0.45 115.58 119.11 1ukx h ASN 96 Ca 0.27 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.97 1ukx h ASN 96 Cb -0.03 -0.19 0.01 0.00 0.05 0.00 0.00 38.32 38.16 1ukx h ASN 96 CO -0.09 0.55 -0.39 0.25 -1.65 0.00 0.00 177.43 176.11 1ukx h LEU 97 N 0.93 -0.92 -1.07 1.61 6.46 -1.71 -2.84 115.31 117.78 1ukx h LEU 97 Ca 0.30 0.03 0.06 0.00 -0.12 0.00 0.00 57.88 58.14 1ukx h LEU 97 Cb 0.03 0.24 -0.06 0.00 -0.73 0.00 0.00 40.66 40.13 1ukx h LEU 97 CO -0.08 -0.56 0.62 0.25 -0.62 0.00 0.00 178.44 178.05 1ukx h LEU 98 N -1.28 0.99 -0.19 2.25 5.85 -1.10 -1.05 115.31 120.78 1ukx h LEU 98 Ca -0.11 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.64 1ukx h LEU 98 Cb 0.83 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 1ukx h LEU 98 CO 0.18 0.64 0.03 0.50 -0.34 0.00 0.00 178.44 179.45 1ukx h LYS 99 N 1.13 0.10 -0.79 1.25 3.64 -1.08 -0.09 116.57 120.73 1ukx h LYS 99 Ca 0.41 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.84 1ukx h LYS 99 Cb 0.15 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.89 1ukx h LYS 99 CO -0.15 0.07 0.48 0.77 -2.27 0.00 0.00 179.45 178.34 1ukx h SER 100 N 0.10 0.74 0.46 4.20 0.02 -1.04 0.26 113.55 118.29 1ukx h SER 100 Ca 0.09 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 1ukx h SER 100 Cb 0.09 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1ukx h SER 100 CO -0.13 0.48 -0.24 0.45 -1.14 0.00 0.00 176.83 176.25 1ukx h HIS 101 N 0.87 0.00 0.18 3.45 3.86 -0.35 -1.77 115.15 121.39 1ukx h HIS 101 Ca 0.34 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 59.24 1ukx h HIS 101 Cb 0.17 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.65 1ukx h HIS 101 CO -0.05 0.24 -1.44 -0.07 0.86 0.00 0.00 177.93 177.47 1ukx h LEU 102 N 0.00 0.59 -1.14 2.43 3.38 -0.35 -2.33 115.31 117.89 1ukx h LEU 102 Ca -0.00 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.29 1ukx h LEU 102 Cb 0.53 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1ukx h LEU 102 CO 0.03 1.54 0.54 -0.33 0.09 0.00 0.00 178.44 180.32 1ukx h GLU 103 N 0.10 1.12 0.08 1.13 5.08 -0.54 0.57 114.58 122.12 1ukx h GLU 103 Ca -0.22 -0.08 -0.28 0.00 -1.00 0.00 0.00 59.36 57.78 1ukx h GLU 103 Cb 2.07 -0.25 0.03 0.00 0.50 0.00 0.00 28.75 31.09 1ukx h GLU 103 CO 0.22 0.76 -1.13 0.93 -1.00 0.00 0.00 179.01 178.79 1ukx h GLU 104 N 1.15 0.63 -0.95 2.33 4.39 -1.41 -3.02 114.58 117.69 1ukx h GLU 104 Ca 0.31 -0.78 0.11 0.00 0.34 0.00 0.00 59.36 59.34 1ukx h GLU 104 Cb -0.10 0.25 -0.07 0.00 -0.10 0.00 0.00 28.75 28.72 1ukx h GLU 104 CO -0.06 1.34 0.61 1.25 -1.16 0.00 0.00 179.01 180.99 1ukx h LEU 105 N 0.26 0.86 -0.34 1.33 5.85 -1.21 -0.81 115.31 121.25 1ukx h LEU 105 Ca -0.16 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.62 1ukx h LEU 105 Cb 1.80 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.66 1ukx h LEU 105 CO 0.22 0.48 0.17 0.00 -0.34 0.00 0.00 178.44 178.96 1ukx h ALA 106 N 1.55 0.41 0.00 1.25 0.00 -0.81 -0.20 119.26 121.46 1ukx h ALA 106 Ca 0.46 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.34 1ukx h ALA 106 Cb 0.46 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1ukx h ALA 106 CO -0.22 -0.21 -0.18 0.87 0.00 0.00 0.00 179.25 179.51 1ukx h LYS 107 N 0.35 0.00 0.14 0.00 1.57 -1.06 0.13 116.57 117.70 1ukx h LYS 107 Ca 0.14 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1ukx h LYS 107 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1ukx h LYS 107 CO -0.10 0.18 -0.07 -0.22 -0.57 0.00 0.00 179.45 178.68 1ukx h LYS 108 N 0.00 -0.18 0.00 3.15 3.64 -0.84 -3.34 116.57 119.00 1ukx h LYS 108 Ca -0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1ukx h LYS 108 Cb 0.50 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1ukx h LYS 108 CO 0.02 0.23 0.00 1.96 -2.27 0.00 0.00 179.45 179.39 1ukx h GLN 109 N -0.66 0.00 -6.24 1.90 1.08 -0.22 -3.47 115.11 107.51 1ukx h GLN 109 Ca -0.02 0.00 -0.69 0.00 -1.45 0.00 0.00 58.65 56.49 1ukx h GLN 109 Cb 0.49 0.00 0.06 0.00 -0.05 0.00 0.00 27.48 27.98 1ukx h GLN 109 CO 0.03 0.00 0.37 0.00 -0.95 0.00 0.00 178.83 178.28 1ukx n GLY 111 N 2.32 1.15 3.30 0.00 0.00 -1.07 -5.05 105.19 105.85 1ukx n GLY 111 Ca 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.03 1.42 0.15 1.61 -1.05 -1.02 -4.80 118.70 114.98 1ukx s GLU 112 Ca 0.00 -1.77 -0.31 0.00 -0.15 0.00 0.00 54.97 52.73 1ukx s GLU 112 Cb 0.00 -0.16 -0.10 0.00 -0.44 0.00 0.00 34.13 33.43 1ukx s GLU 112 CO 0.00 -0.34 1.63 0.14 0.95 0.00 0.00 175.26 177.64 1ukx s VAL 113 N -3.78 2.59 0.00 1.83 -7.23 -1.26 -4.85 120.40 107.69 1ukx s VAL 113 Ca 0.38 0.35 0.00 0.00 -1.81 0.00 0.00 61.98 60.89 1ukx s VAL 113 Cb 0.07 -3.22 0.00 0.00 0.56 0.00 0.00 36.38 33.79 1ukx s VAL 113 CO 0.14 0.02 0.00 1.15 -0.31 0.00 0.00 175.10 176.10 1ukx n MET 114 N 4.42 3.54 -0.31 4.82 0.00 -1.26 -4.83 117.12 123.51 1ukx n MET 114 Ca 0.15 0.00 0.07 0.00 0.00 0.00 0.00 57.70 57.92 1ukx n MET 114 Cb 0.38 -0.40 0.22 0.00 0.00 0.00 0.00 33.22 33.42 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 0.80 -0.60 3.17 2.04 -1.99 0.97 117.51 121.90 1ukx h ILE 115 Ca 0.00 -0.25 0.05 0.00 1.00 0.00 0.00 64.86 65.66 1ukx h ILE 115 Cb 0.00 -0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 36.02 1ukx h ILE 115 CO 0.00 0.14 0.33 -0.26 0.00 0.00 0.00 178.15 178.35 1ukx h PHE 116 N 0.74 0.60 -0.33 1.37 0.04 -1.99 0.70 116.94 118.07 1ukx h PHE 116 Ca 0.47 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 61.26 1ukx h PHE 116 Cb 0.59 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.54 1ukx h PHE 116 CO -0.06 0.29 0.19 1.49 -0.60 0.00 0.00 178.31 179.63 1ukx h GLU 117 N 0.62 0.46 0.06 1.51 4.22 -1.21 -0.04 114.58 120.20 1ukx h GLU 117 Ca 0.26 -0.05 0.02 0.00 0.08 0.00 0.00 59.36 59.67 1ukx h GLU 117 Cb 0.15 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1ukx h GLU 117 CO -0.17 0.37 -0.17 -0.07 -2.18 0.00 0.00 179.01 176.79 1ukx h LEU 118 N 0.43 -0.48 -0.27 1.64 3.38 -0.40 0.93 115.31 120.54 1ukx h LEU 118 Ca 0.12 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1ukx h LEU 118 Cb 0.04 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1ukx h LEU 118 CO -0.02 -0.24 0.09 0.00 0.09 0.00 0.00 178.44 178.36 1ukx h ALA 119 N 0.56 0.30 -0.37 1.53 0.00 -0.82 -1.95 119.26 118.51 1ukx h ALA 119 Ca 0.03 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.05 1ukx h ALA 119 Cb 0.35 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 1ukx h ALA 119 CO -0.12 -0.32 -0.10 0.45 0.00 0.00 0.00 179.25 179.15 1ukx h HIS 120 N 0.20 -0.23 -0.98 0.00 3.86 -0.55 -2.32 115.15 115.14 1ukx h HIS 120 Ca 0.12 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.39 1ukx h HIS 120 Cb 0.09 0.16 -0.05 0.00 1.06 0.00 0.00 27.41 28.67 1ukx h HIS 120 CO -0.13 -0.17 0.64 1.25 0.86 0.00 0.00 177.93 180.37 1ukx h HIS 121 N -0.02 1.21 -0.17 2.45 6.17 -0.52 -0.84 115.15 123.43 1ukx h HIS 121 Ca 0.18 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.30 1ukx h HIS 121 Cb 0.29 -0.40 -0.02 0.00 2.52 0.00 0.00 27.41 29.80 1ukx h HIS 121 CO -0.34 0.72 0.06 0.28 0.71 0.00 0.00 177.93 179.35 1ukx h VAL 122 N 1.26 0.97 -0.71 5.26 2.07 -0.99 -0.31 116.25 123.81 1ukx h VAL 122 Ca 0.38 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.81 1ukx h VAL 122 Cb -0.05 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1ukx h VAL 122 CO -0.11 0.03 0.29 1.56 0.02 0.00 0.00 177.57 179.36 1ukx h GLN 123 N 0.15 1.03 -0.11 1.57 4.20 -0.72 0.16 115.11 121.39 1ukx h GLN 123 Ca 0.07 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 1ukx h GLN 123 Cb 0.04 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1ukx h GLN 123 CO -0.07 0.83 0.07 0.77 -0.67 0.00 0.00 178.83 179.76 1ukx h SER 124 N 1.02 0.13 -0.60 1.46 0.02 -1.03 -1.84 113.55 112.71 1ukx h SER 124 Ca 0.24 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 61.09 1ukx h SER 124 Cb 0.18 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 1ukx h SER 124 CO -0.02 0.13 0.13 0.15 -1.14 0.00 0.00 176.83 176.08 1ukx h PHE 125 N 0.12 1.03 0.08 3.45 3.57 -0.33 0.14 116.94 125.00 1ukx h PHE 125 Ca 0.04 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 61.41 1ukx h PHE 125 Cb 0.02 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.48 1ukx h PHE 125 CO -0.06 0.87 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.79 1ukx h LEU 126 N 0.88 -0.09 -0.95 0.59 3.38 -0.66 -0.01 115.31 118.46 1ukx h LEU 126 Ca 0.19 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1ukx h LEU 126 Cb 0.38 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 1ukx h LEU 126 CO 0.01 0.01 0.62 -1.28 0.09 0.00 0.00 178.44 177.89 1ukx h SER 127 N -0.18 1.04 0.59 -0.43 0.87 -1.06 0.17 113.55 114.55 1ukx h SER 127 Ca -0.01 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 1ukx h SER 127 Cb 0.15 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 1ukx h SER 127 CO 0.02 0.72 -0.51 -0.33 -0.53 0.00 0.00 176.83 176.21 1ukx h GLU 128 N 1.22 -1.03 -0.84 2.24 4.39 -0.67 0.97 114.58 120.84 1ukx h GLU 128 Ca 0.37 0.07 0.13 0.00 0.34 0.00 0.00 59.36 60.27 1ukx h GLU 128 Cb -0.03 0.24 -0.06 0.00 -0.10 0.00 0.00 28.75 28.79 1ukx h GLU 128 CO -0.11 -0.69 0.55 0.45 -1.16 0.00 0.00 179.01 178.05 1ukx h HIS 129 N -1.07 0.78 0.43 4.33 3.86 -0.74 -2.87 115.15 119.86 1ukx h HIS 129 Ca -0.08 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.13 1ukx h HIS 129 Cb 0.91 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 29.13 1ukx h HIS 129 CO -0.21 0.32 -0.21 -0.97 0.86 0.00 0.00 177.93 177.72 1ukx h ASN 130 N 0.69 -0.49 -6.85 2.45 -0.73 -0.23 -3.47 115.58 106.95 1ukx h ASN 130 Ca 0.41 -0.10 -0.55 0.00 1.87 0.00 0.00 56.30 57.93 1ukx h ASN 130 Cb 0.62 0.13 -0.20 0.00 0.27 0.00 0.00 38.32 39.14 1ukx h ASN 130 CO -0.17 -0.09 -0.86 2.29 -0.37 0.00 0.00 177.43 178.23 1ukx n LYS 131 N -5.19 -0.93 -0.16 6.67 -0.00 0.30 -4.94 118.16 113.91 1ukx n LYS 131 Ca -0.09 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1ukx n LYS 131 Cb 0.29 -3.30 0.00 0.00 -0.00 0.00 0.00 35.03 32.02 1ukx n LYS 131 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1ukx n SER 132 N -2.50 0.62 -3.77 -5.58 2.88 -1.26 -5.13 113.62 98.88 1ukx n SER 132 Ca -0.25 -0.08 -0.06 0.00 -1.33 0.00 0.00 58.87 57.15 1ukx n SER 132 Cb 0.60 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.05 1ukx n SER 132 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ukx s GLY 133 N -0.08 -0.21 0.05 0.46 0.00 -1.26 -5.09 107.32 101.19 1ukx s GLY 133 Ca 0.00 0.01 -0.30 0.00 0.00 0.00 0.00 44.72 44.43 1ukx s GLY 133 CO 0.00 -0.01 1.80 2.56 0.00 0.00 0.00 173.10 177.45 1ukx s PRO 134 N -3.57 4.16 0.21 2.90 0.04 -1.26 -4.97 135.00 132.52 1ukx s PRO 134 Ca 0.11 2.46 -0.15 0.00 0.04 0.00 0.00 61.00 63.45 1ukx s PRO 134 Cb -0.03 -3.87 0.01 0.00 0.04 0.00 0.00 34.50 30.65 1ukx s PRO 134 CO 0.03 -0.85 0.48 -1.12 0.04 0.00 0.00 177.00 175.58 1ukx s SER 135 N 3.35 -0.16 0.40 6.66 0.01 -1.26 -5.17 113.70 117.53 1ukx s SER 135 Ca 0.80 -0.68 0.03 0.00 1.31 0.00 0.00 55.95 57.42 1ukx s SER 135 Cb -0.41 0.57 -0.03 0.00 0.21 0.00 0.00 66.02 66.36 1ukx s SER 135 CO 0.36 -1.07 0.10 -0.94 0.41 0.00 0.00 173.24 172.09 1ukx s SER 136 N -2.93 2.83 0.00 2.44 1.04 -1.26 -5.21 113.70 110.61 1ukx s SER 136 Ca 0.14 -1.61 0.00 0.00 0.48 0.00 0.00 55.95 54.97 1ukx s SER 136 Cb -0.01 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1ukx s SER 136 CO 0.02 -0.85 0.09 0.61 0.98 0.00 0.00 173.24 174.08