#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 -1.27 0.62 1.61 0.01 -1.26 -5.08 113.70 108.33 1ukx s SER 2 Ca 0.00 0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.44 1ukx s SER 2 Cb 0.00 1.82 0.00 0.00 0.21 0.00 0.00 66.02 68.05 1ukx s SER 2 CO 0.00 -0.23 0.00 -1.20 0.41 0.00 0.00 173.24 172.22 1ukx n SER 3 N 5.33 -2.28 -0.01 2.44 7.64 -1.26 -4.96 113.62 120.53 1ukx n SER 3 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1ukx n SER 3 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1ukx n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ukx n GLY 4 N 0.00 -0.22 1.15 0.23 0.00 -1.26 -5.06 105.19 100.03 1ukx n GLY 4 Ca 0.00 -1.06 0.15 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.58 -6.78 -3.04 1.61 7.64 -1.26 -5.09 113.62 105.12 1ukx n SER 5 Ca 0.00 0.87 -0.13 0.00 1.01 0.00 0.00 58.87 60.62 1ukx n SER 5 Cb 0.00 -3.74 -0.02 0.00 -1.01 0.00 0.00 64.21 59.44 1ukx n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ukx s SER 6 N -6.75 0.71 0.30 6.43 1.04 -1.26 -5.20 113.70 108.96 1ukx s SER 6 Ca 0.00 -1.43 -0.08 0.00 0.48 0.00 0.00 55.95 54.92 1ukx s SER 6 Cb 0.00 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.87 1ukx s SER 6 CO 0.00 -1.46 0.49 -0.83 0.98 0.00 0.00 173.24 172.42 1ukx s GLY 7 N -3.20 0.95 -0.04 7.32 0.00 -1.26 -5.17 107.32 105.92 1ukx s GLY 7 Ca 0.26 -1.16 0.05 0.00 0.00 0.00 0.00 44.72 43.86 1ukx s GLY 7 CO 0.18 -0.78 -0.18 1.06 0.00 0.00 0.00 173.10 173.38 1ukx s MET 8 N -3.47 2.41 -1.30 2.90 1.00 -1.26 -4.72 119.30 114.86 1ukx s MET 8 Ca 0.26 -0.77 -0.03 0.00 0.00 0.00 0.00 55.69 55.14 1ukx s MET 8 Cb -0.01 -2.27 -0.00 0.00 0.00 0.00 0.00 34.83 32.54 1ukx s MET 8 CO 0.14 0.58 0.64 0.39 0.00 0.00 0.00 175.02 176.77 1ukx n GLU 9 N 2.41 -3.77 -1.77 2.03 1.02 -1.26 -4.83 120.64 114.48 1ukx n GLU 9 Ca -0.17 0.54 -0.19 0.00 -0.02 0.00 0.00 57.16 57.32 1ukx n GLU 9 Cb 0.52 -4.85 -0.09 0.00 -0.02 0.00 0.00 31.44 27.00 1ukx n GLU 9 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1ukx s SER 10 N -4.20 4.05 0.43 1.62 0.01 -1.26 -4.77 113.70 109.58 1ukx s SER 10 Ca 0.09 -1.05 0.09 0.00 1.31 0.00 0.00 55.95 56.39 1ukx s SER 10 Cb -0.03 -2.59 0.93 0.00 0.21 0.00 0.00 66.02 64.54 1ukx s SER 10 CO 0.84 -4.06 2.07 1.88 0.41 0.00 0.00 173.24 174.38 1ukx h TYR 11 N 11.16 0.43 0.00 2.43 0.05 -1.85 -1.41 116.97 127.78 1ukx h TYR 11 Ca 0.08 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.85 1ukx h TYR 11 Cb 0.98 -0.15 -0.00 0.00 1.01 0.00 0.00 36.73 38.57 1ukx h TYR 11 CO 1.10 0.27 -0.07 0.66 -1.05 0.00 0.00 178.16 179.07 1ukx h SER 12 N 0.46 0.00 0.74 3.88 4.64 -1.86 -2.08 113.55 119.34 1ukx h SER 12 Ca 0.12 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.41 1ukx h SER 12 Cb -0.05 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1ukx h SER 12 CO -0.03 0.07 -0.36 1.56 -0.87 0.00 0.00 176.83 177.21 1ukx h GLN 13 N 0.00 -0.96 -0.45 4.77 1.08 -1.65 -1.00 115.11 116.90 1ukx h GLN 13 Ca -0.00 0.07 0.03 0.00 -1.45 0.00 0.00 58.65 57.30 1ukx h GLN 13 Cb 0.18 0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 1ukx h GLN 13 CO 0.01 -0.62 0.30 0.00 -0.95 0.00 0.00 178.83 177.57 1ukx h ARG 14 N -1.15 0.48 0.62 1.46 -0.00 -1.49 0.14 114.38 114.44 1ukx h ARG 14 Ca -0.10 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.98 59.32 1ukx h ARG 14 Cb 0.79 -0.11 0.01 0.00 0.00 0.00 0.00 29.97 30.65 1ukx h ARG 14 CO 0.17 0.32 -0.30 1.96 0.00 0.00 0.00 179.97 182.12 1ukx h GLN 15 N 0.50 -0.80 -0.86 0.04 4.20 -1.39 -2.81 115.11 113.99 1ukx h GLN 15 Ca 0.18 0.05 0.10 0.00 0.06 0.00 0.00 58.65 59.04 1ukx h GLN 15 Cb 0.11 0.18 -0.07 0.00 0.30 0.00 0.00 27.48 28.00 1ukx h GLN 15 CO -0.05 -0.53 0.50 0.22 -0.67 0.00 0.00 178.83 178.31 1ukx h ASP 16 N -0.85 0.73 -0.15 1.46 3.58 -0.46 -1.09 116.42 119.64 1ukx h ASP 16 Ca -0.08 0.05 0.05 0.00 0.42 0.00 0.00 57.03 57.46 1ukx h ASP 16 Cb 0.63 -0.10 -0.05 0.00 1.72 0.00 0.00 39.33 41.54 1ukx h ASP 16 CO 0.14 0.41 -0.18 -0.74 -2.88 0.00 0.00 179.24 176.00 1ukx h HIS 17 N 0.84 -0.46 -0.02 0.28 2.76 -0.83 -1.62 115.15 116.11 1ukx h HIS 17 Ca 0.41 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.47 1ukx h HIS 17 Cb 0.37 0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.54 1ukx h HIS 17 CO -0.05 -0.25 -0.65 1.49 -1.30 0.00 0.00 177.93 177.17 1ukx h GLU 18 N -0.21 0.08 -0.31 5.26 4.57 -1.02 -1.49 114.58 121.44 1ukx h GLU 18 Ca 0.10 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 1ukx h GLU 18 Cb 0.37 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1ukx h GLU 18 CO -0.27 0.70 0.17 -0.07 -1.18 0.00 0.00 179.01 178.36 1ukx h LEU 19 N 0.06 0.39 -0.78 1.64 3.38 -0.95 0.12 115.31 119.17 1ukx h LEU 19 Ca -0.01 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1ukx h LEU 19 Cb 1.15 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 1ukx h LEU 19 CO 0.09 0.36 0.33 1.56 0.09 0.00 0.00 178.44 180.87 1ukx h GLN 20 N 0.39 1.15 -0.80 1.13 4.20 -1.14 -2.06 115.11 117.99 1ukx h GLN 20 Ca 0.11 -0.20 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1ukx h GLN 20 Cb 0.05 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 27.60 1ukx h GLN 20 CO -0.02 0.92 0.39 0.00 -0.67 0.00 0.00 178.83 179.46 1ukx h ALA 21 N 1.17 1.19 -0.08 3.87 0.00 -0.81 -2.36 119.26 122.24 1ukx h ALA 21 Ca 0.26 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1ukx h ALA 21 Cb 0.19 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1ukx h ALA 21 CO -0.02 0.62 -0.29 -0.07 0.00 0.00 0.00 179.25 179.49 1ukx h LEU 22 N 1.13 0.14 -1.36 0.00 3.38 -0.46 -1.21 115.31 116.93 1ukx h LEU 22 Ca 0.28 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 1ukx h LEU 22 Cb 0.10 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1ukx h LEU 22 CO -0.04 0.44 -0.22 -0.08 0.09 0.00 0.00 178.44 178.63 1ukx h GLU 23 N 0.13 0.00 0.11 1.13 4.81 -0.86 -0.31 114.58 119.59 1ukx h GLU 23 Ca 0.02 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.99 1ukx h GLU 23 Cb 0.59 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 1ukx h GLU 23 CO 0.04 0.22 -1.33 0.00 -0.73 0.00 0.00 179.01 177.21 1ukx h ALA 24 N 1.78 0.16 0.29 2.92 0.00 -1.15 -2.85 119.26 120.42 1ukx h ALA 24 Ca -0.00 -1.06 -0.01 0.00 0.00 0.00 0.00 54.91 53.84 1ukx h ALA 24 Cb 0.63 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1ukx h ALA 24 CO 0.03 0.77 -0.14 0.82 0.00 0.00 0.00 179.25 180.73 1ukx h ILE 25 N -0.37 0.00 0.00 0.00 1.08 -1.16 -3.41 117.51 113.65 1ukx h ILE 25 Ca -0.29 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 63.90 1ukx h ILE 25 Cb 1.70 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.45 1ukx h ILE 25 CO 0.05 0.00 -0.14 1.88 -0.69 0.00 0.00 178.15 179.25 1ukx h TYR 26 N -0.68 0.00 0.00 1.37 0.05 -1.32 -3.49 116.97 112.90 1ukx h TYR 26 Ca -0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.74 1ukx h TYR 26 Cb 0.30 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.04 1ukx h TYR 26 CO 0.05 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.57 1ukx n GLY 27 N 1.77 1.97 0.16 3.88 0.00 -0.67 -4.35 105.19 107.96 1ukx n GLY 27 Ca -0.02 0.15 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 1ukx n GLY 27 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1ukx h SER 28 N 0.00 0.56 0.77 1.61 0.87 -1.90 -3.04 113.55 112.41 1ukx h SER 28 Ca 0.00 -0.58 -0.04 0.00 -1.23 0.00 0.00 61.79 59.94 1ukx h SER 28 Cb 0.00 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 1ukx h SER 28 CO 0.00 1.04 -0.18 0.44 -0.53 0.00 0.00 176.83 177.60 1ukx h ASP 29 N 0.10 0.00 -3.62 6.23 3.32 -1.90 -3.41 116.42 117.15 1ukx h ASP 29 Ca -0.01 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.53 1ukx h ASP 29 Cb 0.98 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 1ukx h ASP 29 CO 0.08 0.18 0.42 0.12 -1.72 0.00 0.00 179.24 178.32 1ukx s PHE 30 N -3.80 3.72 -0.27 4.55 5.36 -1.15 -1.28 117.98 125.11 1ukx s PHE 30 Ca -0.00 1.72 0.01 0.00 -0.96 0.00 0.00 56.93 57.70 1ukx s PHE 30 Cb 0.11 -3.16 0.07 0.00 -0.34 0.00 0.00 43.02 39.70 1ukx s PHE 30 CO 0.61 -0.20 -0.01 -1.14 -1.46 0.00 0.00 175.22 173.03 1ukx s GLN 31 N -0.49 1.44 0.26 10.12 0.74 0.12 -4.81 119.66 127.05 1ukx s GLN 31 Ca 0.47 -1.19 -0.29 0.00 0.05 0.00 0.00 55.36 54.40 1ukx s GLN 31 Cb -0.27 -2.61 -0.09 0.00 1.10 0.00 0.00 33.01 31.13 1ukx s GLN 31 CO 0.33 -0.73 1.13 0.16 -0.55 0.00 0.00 175.29 175.63 1ukx s ASP 32 N 1.33 7.20 0.00 6.67 1.47 -1.26 -1.93 116.67 130.14 1ukx s ASP 32 Ca 0.00 2.29 0.00 0.00 1.18 0.00 0.00 52.55 56.03 1ukx s ASP 32 Cb -0.19 -2.62 0.00 0.00 -0.34 0.00 0.00 42.92 39.77 1ukx s ASP 32 CO -0.10 -0.22 0.12 0.18 0.68 0.00 0.00 175.17 175.83 1ukx n LEU 33 N 1.41 0.24 -4.58 2.11 4.77 -1.16 -4.96 117.00 114.82 1ukx n LEU 33 Ca -0.00 -0.25 -0.42 0.00 -0.03 0.00 0.00 56.01 55.31 1ukx n LEU 33 Cb 0.45 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 1ukx n LEU 33 CO 0.55 0.06 1.12 -0.13 -1.33 0.00 0.00 177.39 177.65 1ukx s ARG 34 N -0.02 3.49 0.76 3.23 1.81 -1.25 -4.89 118.95 122.08 1ukx s ARG 34 Ca 0.00 0.33 -0.11 0.00 -1.72 0.00 0.00 55.73 54.22 1ukx s ARG 34 Cb 0.00 -4.03 0.05 0.00 -0.45 0.00 0.00 34.95 30.52 1ukx s ARG 34 CO 0.00 -1.71 1.09 -1.25 -0.68 0.00 0.00 175.30 172.75 1ukx s PRO 35 N 5.03 2.40 -0.41 3.54 0.04 -1.26 -4.97 135.00 139.37 1ukx s PRO 35 Ca 0.45 0.70 -0.27 0.00 0.04 0.00 0.00 61.00 61.92 1ukx s PRO 35 Cb -0.08 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 1ukx s PRO 35 CO 0.26 -1.41 2.17 0.16 0.04 0.00 0.00 177.00 178.21 1ukx s ASP 36 N -3.93 5.09 -0.40 6.66 -4.77 -1.26 -4.90 116.67 113.16 1ukx s ASP 36 Ca 0.60 1.21 0.05 0.00 -3.30 0.00 0.00 52.55 51.11 1ukx s ASP 36 Cb -0.14 -2.51 0.17 0.00 -1.09 0.00 0.00 42.92 39.35 1ukx s ASP 36 CO 0.54 -2.36 0.50 0.00 0.70 0.00 0.00 175.17 174.55 1ukx s ALA 37 N 9.76 -1.21 -0.06 2.11 0.00 -1.26 -5.12 121.76 125.98 1ukx s ALA 37 Ca 0.90 -0.56 -0.20 0.00 0.00 0.00 0.00 51.96 52.10 1ukx s ALA 37 Cb -0.22 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.52 1ukx s ALA 37 CO 0.29 -2.18 0.57 1.03 0.00 0.00 0.00 175.76 175.47 1ukx s ARG 38 N 1.48 4.34 0.00 0.00 0.52 -1.26 -4.52 118.95 119.50 1ukx s ARG 38 Ca 0.18 0.65 0.00 0.00 -0.52 0.00 0.00 55.73 56.04 1ukx s ARG 38 Cb -0.09 -3.40 0.00 0.00 0.52 0.00 0.00 34.95 31.98 1ukx s ARG 38 CO -0.05 0.22 0.00 0.41 0.02 0.00 0.00 175.30 175.90 1ukx n GLY 39 N 2.91 1.30 3.40 -3.53 0.00 -1.26 -5.12 105.19 102.88 1ukx n GLY 39 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.36 1.85 -0.04 1.61 0.52 -1.26 -5.11 118.95 116.16 1ukx s ARG 40 Ca 0.00 -2.11 -0.37 0.00 -0.52 0.00 0.00 55.73 52.74 1ukx s ARG 40 Cb 0.00 -0.10 -0.15 0.00 0.52 0.00 0.00 34.95 35.22 1ukx s ARG 40 CO 0.00 -0.58 1.61 1.33 0.02 0.00 0.00 175.30 177.67 1ukx n VAL 41 N -0.77 0.20 -1.97 3.52 0.24 -1.26 -4.93 118.33 113.36 1ukx n VAL 41 Ca 0.01 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.34 61.86 1ukx n VAL 41 Cb 0.63 -1.27 -0.03 0.00 -1.47 0.00 0.00 33.84 31.71 1ukx n VAL 41 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1ukx s ARG 42 N 2.14 4.24 0.32 7.34 3.00 -1.26 -5.02 118.95 129.70 1ukx s ARG 42 Ca 0.89 2.32 0.05 0.00 -1.00 0.00 0.00 55.73 58.00 1ukx s ARG 42 Cb -0.89 -3.15 -0.06 0.00 0.00 0.00 0.00 34.95 30.85 1ukx s ARG 42 CO 0.52 -0.54 0.00 -1.21 0.00 0.00 0.00 175.30 174.07 1ukx s GLU 43 N 0.74 1.66 0.60 5.12 0.41 -1.26 -5.14 118.70 120.83 1ukx s GLU 43 Ca 0.67 -1.89 -0.17 0.00 -0.41 0.00 0.00 54.97 53.16 1ukx s GLU 43 Cb -0.43 -1.10 -0.03 0.00 -1.78 0.00 0.00 34.13 30.79 1ukx s GLU 43 CO 0.34 -0.07 1.12 -1.25 -0.49 0.00 0.00 175.26 174.91 1ukx s PRO 44 N -3.80 3.08 -1.14 0.39 0.04 -1.26 -4.88 135.00 127.43 1ukx s PRO 44 Ca 0.33 1.49 -0.19 0.00 0.04 0.00 0.00 61.00 62.67 1ukx s PRO 44 Cb 0.07 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 1ukx s PRO 44 CO 0.14 -1.05 1.96 -0.35 0.04 0.00 0.00 177.00 177.75 1ukx n PRO 45 N -1.88 2.20 -2.01 0.56 -0.04 -1.07 -4.93 135.00 127.83 1ukx n PRO 45 Ca 0.11 -2.46 -0.42 0.00 -0.04 0.00 0.00 63.50 60.69 1ukx n PRO 45 Cb 0.51 -3.31 -0.03 0.00 -0.04 0.00 0.00 33.50 30.63 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 4.74 4.24 0.20 0.54 2.12 -1.25 -4.58 118.70 124.71 1ukx s GLU 46 Ca 0.57 2.26 -0.00 0.00 0.36 0.00 0.00 54.97 58.15 1ukx s GLU 46 Cb 0.09 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 31.08 1ukx s GLU 46 CO 0.06 -0.61 0.09 0.96 -0.54 0.00 0.00 175.26 175.23 1ukx s ILE 47 N 1.72 0.26 -0.01 -3.70 -5.25 -0.80 -3.01 121.20 110.42 1ukx s ILE 47 Ca 0.70 -1.98 0.01 0.00 -0.99 0.00 0.00 60.65 58.38 1ukx s ILE 47 Cb -0.40 -2.42 0.01 0.00 2.95 0.00 0.00 42.46 42.60 1ukx s ILE 47 CO 0.31 -0.13 -0.03 0.21 -1.79 0.00 0.00 174.94 173.50 1ukx s ASN 48 N -3.19 0.54 -0.21 4.36 2.47 -0.81 -3.11 114.94 114.98 1ukx s ASN 48 Ca 0.34 -0.07 -0.01 0.00 0.42 0.00 0.00 52.86 53.54 1ukx s ASN 48 Cb 0.07 -0.14 0.06 0.00 -1.45 0.00 0.00 41.25 39.80 1ukx s ASN 48 CO 0.10 0.01 -0.01 -0.22 -3.72 0.00 0.00 177.10 173.26 1ukx s LEU 49 N 0.24 1.78 0.29 3.21 0.20 -0.17 -0.71 118.68 123.52 1ukx s LEU 49 Ca -0.02 -0.95 -0.29 0.00 0.69 0.00 0.00 54.13 53.55 1ukx s LEU 49 Cb -0.06 -0.85 -0.10 0.00 -0.43 0.00 0.00 46.19 44.75 1ukx s LEU 49 CO -0.00 -0.27 1.33 -0.69 -0.29 0.00 0.00 176.35 176.43 1ukx s VAL 50 N 1.65 2.82 0.07 1.68 1.01 -0.40 -0.88 120.40 126.35 1ukx s VAL 50 Ca -0.03 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.72 1ukx s VAL 50 Cb -0.18 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 1ukx s VAL 50 CO -0.07 0.16 -0.05 -0.76 0.00 0.00 0.00 175.10 174.38 1ukx s LEU 51 N -1.15 2.49 0.15 3.92 1.43 -1.16 -4.77 118.68 119.60 1ukx s LEU 51 Ca 0.52 -0.98 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 1ukx s LEU 51 Cb -0.39 0.08 -0.04 0.00 0.03 0.00 0.00 46.19 45.86 1ukx s LEU 51 CO 0.48 -0.53 -0.01 -0.31 0.23 0.00 0.00 176.35 176.21 1ukx s TYR 52 N -3.68 1.11 0.52 0.29 2.02 -1.26 -3.63 117.35 112.72 1ukx s TYR 52 Ca 0.08 -1.01 -0.20 0.00 -0.37 0.00 0.00 57.07 55.57 1ukx s TYR 52 Cb 0.06 -0.63 -0.07 0.00 -0.40 0.00 0.00 41.96 40.92 1ukx s TYR 52 CO -0.07 -0.22 1.11 -1.25 -1.57 0.00 0.00 175.55 173.55 1ukx s PRO 53 N -3.91 3.48 1.31 -1.71 0.04 -1.26 -4.55 135.00 128.39 1ukx s PRO 53 Ca 0.21 1.57 -0.19 0.00 0.04 0.00 0.00 61.00 62.63 1ukx s PRO 53 Cb 0.06 -2.05 0.33 0.00 0.04 0.00 0.00 34.50 32.87 1ukx s PRO 53 CO 0.02 -0.74 0.99 1.14 0.04 0.00 0.00 177.00 178.45 1ukx s GLN 54 N -3.23 -2.04 0.00 4.56 -2.07 -1.26 -4.24 119.66 111.39 1ukx s GLN 54 Ca 0.71 0.30 0.00 0.00 -1.82 0.00 0.00 55.36 54.55 1ukx s GLN 54 Cb -0.23 -1.47 0.00 0.00 -1.09 0.00 0.00 33.01 30.22 1ukx s GLN 54 CO 0.26 -4.33 0.00 0.41 -1.32 0.00 0.00 175.29 170.31 1ukx n GLY 55 N 0.76 2.14 0.24 2.60 0.00 -1.26 -4.59 105.19 105.07 1ukx n GLY 55 Ca 0.10 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 1.37 0.99 3.38 -1.88 -3.47 115.31 115.69 1ukx h LEU 56 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 1ukx h LEU 56 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1ukx h LEU 56 CO 0.00 0.15 -0.47 0.00 0.09 0.00 0.00 178.44 178.20 1ukx n ALA 57 N -2.18 -0.94 0.00 1.53 0.00 -1.26 -1.38 120.51 116.28 1ukx n ALA 57 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1ukx n ALA 57 Cb 0.40 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.38 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 -1.09 1.40 3.72 0.00 0.00 -1.26 -5.09 105.19 102.88 1ukx n GLY 58 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 1ukx n GLY 58 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ukx s GLU 59 N -0.47 4.47 0.35 1.61 2.12 -0.48 -4.79 118.70 121.51 1ukx s GLU 59 Ca 0.00 1.00 0.00 0.00 0.36 0.00 0.00 54.97 56.33 1ukx s GLU 59 Cb 0.00 -3.44 0.00 0.00 0.26 0.00 0.00 34.13 30.95 1ukx s GLU 59 CO 0.00 0.07 0.00 0.39 -0.54 0.00 0.00 175.26 175.18 1ukx n GLU 60 N 3.70 0.00 -0.67 4.30 1.02 -1.26 -4.82 120.64 122.90 1ukx n GLU 60 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ukx n GLU 60 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.93 1ukx n GLU 60 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ukx n VAL 61 N 0.00 -3.04 -0.10 2.62 0.31 -1.26 -5.01 118.33 111.85 1ukx n VAL 61 Ca 0.00 0.92 -0.11 0.00 -0.01 0.00 0.00 64.34 65.13 1ukx n VAL 61 Cb 0.00 -2.01 -0.15 0.00 -0.91 0.00 0.00 33.84 30.78 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 -0.05 0.00 -4.55 3.52 4.02 -1.26 -4.95 117.16 113.89 1ukx n TYR 62 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.67 1ukx n TYR 62 Cb 0.00 -0.98 -0.15 0.00 -0.02 0.00 0.00 39.34 38.19 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 -2.48 0.99 -0.07 -0.72 -7.23 -1.26 -3.52 120.40 106.10 1ukx s VAL 63 Ca -0.14 -0.51 -0.30 0.00 -1.81 0.00 0.00 61.98 59.22 1ukx s VAL 63 Cb 0.06 -0.84 0.07 0.00 0.56 0.00 0.00 36.38 36.23 1ukx s VAL 63 CO 0.77 0.29 0.67 0.00 -0.31 0.00 0.00 175.10 176.51 1ukx s GLN 64 N -0.13 1.02 0.03 4.82 1.03 -1.20 -4.28 119.66 120.95 1ukx s GLN 64 Ca 0.02 0.32 -0.12 0.00 0.04 0.00 0.00 55.36 55.61 1ukx s GLN 64 Cb -0.07 0.48 0.02 0.00 0.03 0.00 0.00 33.01 33.47 1ukx s GLN 64 CO 0.00 -0.30 0.27 0.54 -2.54 0.00 0.00 175.29 173.26 1ukx s VAL 65 N -1.03 0.08 -0.13 3.63 0.11 -1.24 -0.75 120.40 121.08 1ukx s VAL 65 Ca -0.10 -0.70 -0.08 0.00 -2.93 0.00 0.00 61.98 58.17 1ukx s VAL 65 Cb -0.01 -0.84 -0.04 0.00 -1.53 0.00 0.00 36.38 33.96 1ukx s VAL 65 CO 0.09 -0.38 0.15 -1.61 -3.33 0.00 0.00 175.10 170.02 1ukx s GLU 66 N -2.24 3.59 -0.19 1.54 2.02 -0.49 -2.96 118.70 119.97 1ukx s GLU 66 Ca -0.07 -0.11 -0.14 0.00 0.02 0.00 0.00 54.97 54.67 1ukx s GLU 66 Cb -0.02 -3.23 -0.04 0.00 0.10 0.00 0.00 34.13 30.93 1ukx s GLU 66 CO -0.02 0.69 0.30 -1.17 0.02 0.00 0.00 175.26 175.08 1ukx s LEU 67 N -0.79 4.19 -0.29 1.80 2.96 -0.06 -2.71 118.68 123.78 1ukx s LEU 67 Ca 0.14 0.42 -0.05 0.00 -0.22 0.00 0.00 54.13 54.43 1ukx s LEU 67 Cb -0.12 -2.36 0.02 0.00 0.50 0.00 0.00 46.19 44.23 1ukx s LEU 67 CO 0.04 0.04 0.03 -0.60 -1.32 0.00 0.00 176.35 174.54 1ukx s ARG 68 N 0.86 2.87 -0.22 1.98 6.06 -0.84 -0.99 118.95 128.67 1ukx s ARG 68 Ca 0.15 -0.98 -0.05 0.00 -2.50 0.00 0.00 55.73 52.35 1ukx s ARG 68 Cb -0.14 -3.25 -0.01 0.00 0.06 0.00 0.00 34.95 31.61 1ukx s ARG 68 CO 0.05 -0.48 -0.02 0.08 -2.50 0.00 0.00 175.30 172.43 1ukx s VAL 69 N 1.41 3.63 -0.15 7.11 1.01 -1.18 -3.04 120.40 129.18 1ukx s VAL 69 Ca 0.00 -0.41 -0.24 0.00 0.00 0.00 0.00 61.98 61.33 1ukx s VAL 69 Cb -0.18 -2.66 -0.24 0.00 0.00 0.00 0.00 36.38 33.31 1ukx s VAL 69 CO 0.00 0.41 0.55 0.50 0.00 0.00 0.00 175.10 176.57 1ukx h LYS 70 N 7.98 0.05 -4.36 2.72 3.64 -1.81 -2.12 116.57 122.67 1ukx h LYS 70 Ca -0.39 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1ukx h LYS 70 Cb 1.17 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1ukx h LYS 70 CO 0.60 1.04 -0.97 0.00 -2.27 0.00 0.00 179.45 177.85 1ukx s PRO 72 N -1.20 0.09 0.00 0.00 0.04 -1.26 -4.43 135.00 128.24 1ukx s PRO 72 Ca 0.00 0.60 0.02 0.00 0.04 0.00 0.00 61.00 61.67 1ukx s PRO 72 Cb 0.00 -1.69 0.14 0.00 0.04 0.00 0.00 34.50 32.99 1ukx s PRO 72 CO 0.00 -2.98 0.77 -0.35 0.04 0.00 0.00 177.00 174.47 1ukx n PRO 73 N -4.36 0.66 -0.00 0.56 -0.04 -1.26 -2.54 135.00 128.01 1ukx n PRO 73 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1ukx n PRO 73 Cb 0.56 -1.06 -0.00 0.00 -0.04 0.00 0.00 33.50 32.97 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 -0.56 0.00 -1.65 0.52 -2.24 -1.26 -4.74 114.28 104.35 1ukx n THR 74 Ca 0.02 -0.47 -0.50 0.00 -2.27 0.00 0.00 64.05 60.83 1ukx n THR 74 Cb 0.01 0.98 -0.05 0.00 -2.10 0.00 0.00 70.33 69.16 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 -1.03 1.98 -0.47 4.78 4.19 -1.05 -0.38 117.16 125.18 1ukx n TYR 75 Ca 0.00 0.40 0.10 0.00 3.31 0.00 0.00 57.90 61.70 1ukx n TYR 75 Cb 0.00 -2.47 0.34 0.00 0.49 0.00 0.00 39.34 37.70 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 3.65 3.41 0.26 2.98 -0.04 -1.26 -4.69 135.00 139.32 1ukx n PRO 76 Ca 0.19 -2.73 0.18 0.00 -0.04 0.00 0.00 63.50 61.10 1ukx n PRO 76 Cb 0.24 -1.80 0.91 0.00 -0.04 0.00 0.00 33.50 32.80 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 4.04 0.00 -5.69 3.54 3.58 -1.09 -3.34 116.42 117.46 1ukx h ASP 77 Ca 0.00 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 56.97 1ukx h ASP 77 Cb 1.31 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 42.23 1ukx h ASP 77 CO 0.17 0.00 -0.49 0.54 -2.88 0.00 0.00 179.24 176.58 1ukx s VAL 78 N -3.84 0.04 0.22 2.25 0.11 -1.26 -4.93 120.40 112.99 1ukx s VAL 78 Ca -0.03 -2.00 -0.30 0.00 -2.93 0.00 0.00 61.98 56.73 1ukx s VAL 78 Cb 0.10 -2.48 -0.08 0.00 -1.53 0.00 0.00 36.38 32.38 1ukx s VAL 78 CO 0.36 0.00 1.07 0.68 -3.33 0.00 0.00 175.10 173.88 1ukx s VAL 79 N -3.42 3.78 0.57 2.04 -7.23 -1.26 -4.63 120.40 110.24 1ukx s VAL 79 Ca 0.39 1.66 -0.10 0.00 -1.81 0.00 0.00 61.98 62.12 1ukx s VAL 79 Cb 0.02 -4.06 -0.04 0.00 0.56 0.00 0.00 36.38 32.86 1ukx s VAL 79 CO 0.27 0.34 0.95 -2.16 -0.31 0.00 0.00 175.10 174.20 1ukx s PRO 80 N -0.87 3.63 0.61 4.82 0.04 -1.26 -4.83 135.00 137.13 1ukx s PRO 80 Ca 0.46 0.63 -0.16 0.00 0.04 0.00 0.00 61.00 61.96 1ukx s PRO 80 Cb -0.30 -2.17 -0.03 0.00 0.04 0.00 0.00 34.50 32.05 1ukx s PRO 80 CO 0.37 -0.43 1.10 -1.21 0.04 0.00 0.00 177.00 176.87 1ukx s GLU 81 N -4.89 3.08 -0.04 4.56 0.41 -1.26 -5.01 118.70 115.55 1ukx s GLU 81 Ca 0.53 1.41 -0.02 0.00 -0.41 0.00 0.00 54.97 56.49 1ukx s GLU 81 Cb -0.11 -1.99 0.03 0.00 -1.78 0.00 0.00 34.13 30.29 1ukx s GLU 81 CO 0.48 -1.03 0.07 0.42 -0.49 0.00 0.00 175.26 174.72 1ukx s ILE 82 N -2.20 -0.12 -0.13 -1.63 1.01 -1.26 -4.35 121.20 112.53 1ukx s ILE 82 Ca 0.68 0.38 -0.02 0.00 0.00 0.00 0.00 60.65 61.68 1ukx s ILE 82 Cb -0.20 -0.16 0.04 0.00 0.01 0.00 0.00 42.46 42.15 1ukx s ILE 82 CO 0.36 0.16 0.03 -1.81 0.00 0.00 0.00 174.94 173.68 1ukx s ASP 83 N 1.97 2.12 -0.32 3.58 1.11 -1.17 -4.99 116.67 118.98 1ukx s ASP 83 Ca 0.02 -0.41 -0.19 0.00 0.18 0.00 0.00 52.55 52.15 1ukx s ASP 83 Cb -0.12 -0.44 -0.01 0.00 1.07 0.00 0.00 42.92 43.42 1ukx s ASP 83 CO -0.04 -0.26 0.58 -0.76 1.18 0.00 0.00 175.17 175.87 1ukx s LEU 84 N 1.98 4.20 0.24 1.23 1.02 -1.26 -1.99 118.68 124.09 1ukx s LEU 84 Ca 0.02 0.27 0.02 0.00 0.02 0.00 0.00 54.13 54.46 1ukx s LEU 84 Cb -0.14 -2.72 -0.05 0.00 0.02 0.00 0.00 46.19 43.29 1ukx s LEU 84 CO -0.07 -0.47 0.07 -0.54 0.02 0.00 0.00 176.35 175.37 1ukx s LYS 85 N 2.52 1.36 -1.18 1.70 1.02 -1.10 -4.85 119.74 119.20 1ukx s LYS 85 Ca 0.23 -1.72 -0.22 0.00 0.02 0.00 0.00 55.97 54.28 1ukx s LYS 85 Cb -0.15 -0.30 0.03 0.00 -0.52 0.00 0.00 37.83 36.89 1ukx s LYS 85 CO 0.12 -0.25 0.41 0.27 -0.92 0.00 0.00 175.35 174.98 1ukx n ASN 86 N -0.43 -2.18 -4.63 2.83 0.23 -1.26 -1.40 115.26 108.42 1ukx n ASN 86 Ca -0.02 -1.16 -0.43 0.00 -0.53 0.00 0.00 54.58 52.44 1ukx n ASN 86 Cb 0.66 -1.41 -0.03 0.00 -2.08 0.00 0.00 39.78 36.92 1ukx n ASN 86 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ukx s ALA 87 N -3.87 3.47 0.32 -2.53 0.00 -1.26 -4.15 121.76 113.75 1ukx s ALA 87 Ca 0.30 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.11 1ukx s ALA 87 Cb -0.17 -3.63 -0.03 0.00 0.00 0.00 0.00 23.12 19.29 1ukx s ALA 87 CO 0.88 -1.51 0.51 0.15 0.00 0.00 0.00 175.76 175.79 1ukx s LYS 88 N 3.60 3.48 0.00 0.00 1.02 0.07 -2.04 119.74 125.87 1ukx s LYS 88 Ca 0.43 -0.42 0.00 0.00 0.02 0.00 0.00 55.97 56.00 1ukx s LYS 88 Cb -0.12 -2.71 0.00 0.00 -0.52 0.00 0.00 37.83 34.48 1ukx s LYS 88 CO 0.16 0.21 0.00 0.41 -0.92 0.00 0.00 175.35 175.21 1ukx n GLY 89 N -1.69 1.07 0.13 -3.33 0.00 -1.23 -3.24 105.19 96.89 1ukx n GLY 89 Ca -0.06 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 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 2.67 0.00 0.99 4.77 -1.26 -4.98 117.00 119.19 1ukx n LEU 90 Ca 0.00 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1ukx n LEU 90 Cb 0.00 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 1ukx n LEU 90 CO 0.00 0.89 0.00 -1.20 -1.33 0.00 0.00 177.39 175.75 1ukx n SER 91 N -3.25 0.00 0.00 -1.43 7.64 -0.86 -0.65 113.62 115.07 1ukx n SER 91 Ca -0.43 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.45 1ukx n SER 91 Cb 1.01 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.21 1ukx n SER 91 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1ukx n ASN 92 N 0.00 0.00 0.00 6.43 6.94 -1.26 -4.56 115.26 122.80 1ukx n ASN 92 Ca 0.00 -1.00 0.00 0.00 -0.02 0.00 0.00 54.58 53.56 1ukx n ASN 92 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1ukx n ASN 92 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1ukx n GLU 93 N 0.00 0.00 0.00 -3.83 1.02 0.18 -4.34 120.64 113.67 1ukx n GLU 93 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 1ukx n GLU 93 Cb 0.39 0.00 0.22 0.00 -0.02 0.00 0.00 31.44 32.03 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 -0.16 1.62 7.64 -1.26 -1.75 113.62 119.70 1ukx n SER 94 Ca 0.00 -0.25 -0.03 0.00 1.01 0.00 0.00 58.87 59.61 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 0.81 -0.79 0.44 2.07 -1.86 -0.89 116.25 116.03 1ukx h VAL 95 Ca 0.00 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1ukx h VAL 95 Cb 0.00 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 1ukx h VAL 95 CO 0.00 0.06 0.45 0.78 0.02 0.00 0.00 177.57 178.89 1ukx h ASN 96 N 0.34 0.97 0.42 0.57 2.35 -1.54 0.14 115.58 118.83 1ukx h ASN 96 Ca 0.25 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 1ukx h ASN 96 Cb 0.27 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1ukx h ASN 96 CO -0.26 0.76 -0.20 0.25 -1.65 0.00 0.00 177.43 176.33 1ukx h LEU 97 N 1.10 -0.48 -0.84 1.61 6.46 -1.61 -1.51 115.31 120.03 1ukx h LEU 97 Ca 0.28 -0.10 0.01 0.00 -0.12 0.00 0.00 57.88 57.96 1ukx h LEU 97 Cb -0.01 0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.00 1ukx h LEU 97 CO -0.05 -0.16 0.56 0.25 -0.62 0.00 0.00 178.44 178.42 1ukx h LEU 98 N -0.82 0.96 -0.15 2.25 5.85 -0.89 -0.03 115.31 122.47 1ukx h LEU 98 Ca -0.06 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1ukx h LEU 98 Cb 0.55 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1ukx h LEU 98 CO 0.10 0.69 0.09 0.50 -0.34 0.00 0.00 178.44 179.47 1ukx h LYS 99 N 1.13 0.20 -0.92 1.25 3.64 -0.67 0.07 116.57 121.27 1ukx h LYS 99 Ca 0.31 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.74 1ukx h LYS 99 Cb -0.11 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.61 1ukx h LYS 99 CO -0.08 0.17 0.59 0.77 -2.27 0.00 0.00 179.45 178.63 1ukx h SER 100 N 0.18 0.93 -0.57 4.20 0.02 -0.70 0.28 113.55 117.88 1ukx h SER 100 Ca 0.05 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1ukx h SER 100 Cb 0.02 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 1ukx h SER 100 CO -0.01 0.60 0.24 0.45 -1.14 0.00 0.00 176.83 176.97 1ukx h HIS 101 N 1.07 0.86 -0.12 3.45 3.86 -0.36 -2.26 115.15 121.65 1ukx h HIS 101 Ca 0.40 -0.06 -0.07 0.00 -1.16 0.00 0.00 60.37 59.48 1ukx h HIS 101 Cb 0.15 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.36 1ukx h HIS 101 CO -0.02 0.69 -0.18 -0.07 0.86 0.00 0.00 177.93 179.21 1ukx h LEU 102 N 0.78 0.37 -1.01 2.43 3.38 -0.38 0.13 115.31 121.01 1ukx h LEU 102 Ca 0.19 -0.53 0.12 0.00 0.09 0.00 0.00 57.88 57.75 1ukx h LEU 102 Cb 0.18 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.74 1ukx h LEU 102 CO -0.02 0.82 0.63 -0.33 0.09 0.00 0.00 178.44 179.64 1ukx h GLU 103 N -0.08 0.97 0.12 1.13 5.08 -0.43 -0.33 114.58 121.04 1ukx h GLU 103 Ca 0.01 -0.06 -0.31 0.00 -1.00 0.00 0.00 59.36 58.00 1ukx h GLU 103 Cb 0.74 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1ukx h GLU 103 CO 0.04 0.64 -1.60 0.93 -1.00 0.00 0.00 179.01 178.03 1ukx h GLU 104 N 1.00 0.25 -0.41 2.33 4.39 -1.39 -3.29 114.58 117.46 1ukx h GLU 104 Ca 0.50 -0.42 0.07 0.00 0.34 0.00 0.00 59.36 59.85 1ukx h GLU 104 Cb 0.48 0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 29.23 1ukx h GLU 104 CO -0.26 1.10 0.03 1.25 -1.16 0.00 0.00 179.01 179.96 1ukx h LEU 105 N 0.07 -0.11 -0.75 1.33 5.85 -0.31 -1.60 115.31 119.79 1ukx h LEU 105 Ca -0.27 0.09 0.15 0.00 0.84 0.00 0.00 57.88 58.69 1ukx h LEU 105 Cb 2.02 0.15 -0.10 0.00 0.37 0.00 0.00 40.66 43.10 1ukx h LEU 105 CO 0.15 -0.02 0.25 0.00 -0.34 0.00 0.00 178.44 178.48 1ukx h ALA 106 N 1.34 1.02 -0.44 1.25 0.00 -1.16 0.14 119.26 121.42 1ukx h ALA 106 Ca 0.20 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 1ukx h ALA 106 Cb 0.28 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1ukx h ALA 106 CO -0.31 -0.28 0.07 0.87 0.00 0.00 0.00 179.25 179.60 1ukx h LYS 107 N 0.36 0.67 0.00 0.00 6.56 -1.37 -0.31 116.57 122.47 1ukx h LYS 107 Ca 0.42 -0.13 0.00 0.00 -1.06 0.00 0.00 60.65 59.88 1ukx h LYS 107 Cb 0.69 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.24 1ukx h LYS 107 CO -0.46 0.63 0.00 1.63 -2.06 0.00 0.00 179.45 179.20 1ukx n LYS 108 N -4.29 0.03 -0.00 3.15 5.02 -0.07 -3.18 118.16 118.82 1ukx n LYS 108 Ca 0.03 0.08 0.08 0.00 -2.02 0.00 0.00 58.31 56.47 1ukx n LYS 108 Cb 0.23 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.63 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 -1.48 1.01 -1.57 1.97 6.02 -0.50 -4.98 117.38 117.85 1ukx n GLN 109 Ca 0.06 -0.09 -0.46 0.00 -0.01 0.00 0.00 57.00 56.50 1ukx n GLN 109 Cb 0.28 -1.32 -0.04 0.00 1.02 0.00 0.00 30.24 30.18 1ukx n GLN 109 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ukx n GLY 111 N 5.70 0.89 0.00 0.00 0.00 -1.26 -5.05 105.19 105.47 1ukx n GLY 111 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1ukx n GLY 111 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ukx n GLU 112 N 0.00 0.00 -1.35 1.61 0.28 -1.10 -5.04 120.64 115.04 1ukx n GLU 112 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.65 1ukx n GLU 112 Cb 0.00 0.00 0.10 0.00 1.43 0.00 0.00 31.44 32.97 1ukx n GLU 112 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 1ukx n VAL 113 N 0.00 3.06 0.00 3.84 0.24 -1.26 -4.82 118.33 119.38 1ukx n VAL 113 Ca 0.00 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 1ukx n VAL 113 Cb 0.00 -1.25 0.00 0.00 -1.47 0.00 0.00 33.84 31.12 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 -2.48 2.73 -0.22 7.34 0.00 -1.26 -4.96 117.12 118.27 1ukx n MET 114 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 57.70 57.86 1ukx n MET 114 Cb 0.49 -0.42 0.12 0.00 0.00 0.00 0.00 33.22 33.41 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 0.46 -0.54 3.17 2.04 -1.99 0.94 117.51 121.60 1ukx h ILE 115 Ca 0.00 -0.04 0.11 0.00 1.00 0.00 0.00 64.86 65.92 1ukx h ILE 115 Cb 0.00 0.32 -0.10 0.00 -0.74 0.00 0.00 36.82 36.31 1ukx h ILE 115 CO 0.00 0.02 -0.06 -0.26 0.00 0.00 0.00 178.15 177.85 1ukx h PHE 116 N 0.13 -0.14 -0.55 1.37 0.04 -1.99 -1.10 116.94 114.70 1ukx h PHE 116 Ca 0.35 0.04 -0.09 0.00 2.80 0.00 0.00 57.97 61.07 1ukx h PHE 116 Cb 0.58 0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.85 1ukx h PHE 116 CO -0.37 -0.18 -0.01 1.49 -0.60 0.00 0.00 178.31 178.65 1ukx h GLU 117 N 0.06 0.94 -0.32 1.51 4.22 -1.23 -1.51 114.58 118.25 1ukx h GLU 117 Ca 0.27 -0.28 0.02 0.00 0.08 0.00 0.00 59.36 59.44 1ukx h GLU 117 Cb 0.42 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1ukx h GLU 117 CO -0.50 0.94 0.18 -0.07 -2.18 0.00 0.00 179.01 177.38 1ukx h LEU 118 N 0.87 0.28 0.06 1.64 3.38 -0.23 0.11 115.31 121.41 1ukx h LEU 118 Ca 0.16 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.15 1ukx h LEU 118 Cb 0.52 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1ukx h LEU 118 CO 0.03 0.21 -0.15 0.00 0.09 0.00 0.00 178.44 178.61 1ukx h ALA 119 N 1.15 -0.23 -0.64 1.53 0.00 -1.25 -2.57 119.26 117.26 1ukx h ALA 119 Ca 0.13 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1ukx h ALA 119 Cb 0.02 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 1ukx h ALA 119 CO -0.07 -0.66 0.25 0.45 0.00 0.00 0.00 179.25 179.22 1ukx h HIS 120 N -0.28 0.43 -0.39 0.00 3.86 -0.44 -0.73 115.15 117.61 1ukx h HIS 120 Ca 0.03 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.30 1ukx h HIS 120 Cb 0.32 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.66 1ukx h HIS 120 CO -0.18 0.11 0.21 1.25 0.86 0.00 0.00 177.93 180.17 1ukx h HIS 121 N 0.43 0.39 -0.58 2.45 6.17 -0.77 -1.37 115.15 121.87 1ukx h HIS 121 Ca 0.33 0.01 0.06 0.00 0.71 0.00 0.00 60.37 61.48 1ukx h HIS 121 Cb 0.41 -0.12 -0.05 0.00 2.52 0.00 0.00 27.41 30.17 1ukx h HIS 121 CO -0.16 0.22 0.29 0.28 0.71 0.00 0.00 177.93 179.27 1ukx h VAL 122 N 0.42 0.93 -0.50 5.26 2.07 -0.95 -0.78 116.25 122.71 1ukx h VAL 122 Ca 0.16 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 1ukx h VAL 122 Cb 0.04 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 1ukx h VAL 122 CO -0.09 0.10 0.15 1.56 0.02 0.00 0.00 177.57 179.31 1ukx h GLN 123 N 0.55 0.74 -0.25 1.57 4.20 -0.23 0.21 115.11 121.90 1ukx h GLN 123 Ca 0.26 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1ukx h GLN 123 Cb 0.19 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1ukx h GLN 123 CO -0.19 0.65 0.03 0.77 -0.67 0.00 0.00 178.83 179.42 1ukx h SER 124 N 0.73 0.41 -0.59 1.46 0.02 -0.97 -1.08 113.55 113.52 1ukx h SER 124 Ca 0.17 -0.28 -0.06 0.00 -0.84 0.00 0.00 61.79 60.78 1ukx h SER 124 Cb 0.22 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1ukx h SER 124 CO -0.01 0.58 0.14 0.15 -1.14 0.00 0.00 176.83 176.55 1ukx h PHE 125 N 0.22 1.00 0.02 3.45 3.57 -0.73 -1.23 116.94 123.24 1ukx h PHE 125 Ca 0.07 -0.12 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 1ukx h PHE 125 Cb 0.36 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1ukx h PHE 125 CO 0.03 0.85 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.88 1ukx h LEU 126 N 0.86 -0.02 -1.23 0.59 3.38 -0.57 -2.43 115.31 115.88 1ukx h LEU 126 Ca 0.18 -0.12 0.16 0.00 0.09 0.00 0.00 57.88 58.19 1ukx h LEU 126 Cb 0.36 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.04 1ukx h LEU 126 CO 0.00 0.11 0.60 -1.28 0.09 0.00 0.00 178.44 177.96 1ukx h SER 127 N -0.16 0.67 0.82 -0.43 0.87 -0.91 0.24 113.55 114.66 1ukx h SER 127 Ca -0.00 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.57 1ukx h SER 127 Cb 0.15 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1ukx h SER 127 CO 0.00 0.31 -0.39 -0.33 -0.53 0.00 0.00 176.83 175.89 1ukx h GLU 128 N 0.70 -1.06 0.00 2.24 5.08 -0.98 -2.87 114.58 117.69 1ukx h GLU 128 Ca 0.49 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.92 1ukx h GLU 128 Cb 0.82 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1ukx h GLU 128 CO -0.25 -0.70 0.00 0.72 -1.00 0.00 0.00 179.01 177.78 1ukx n HIS 129 N -5.55 0.00 -2.01 4.33 8.25 -0.85 -4.29 115.22 115.10 1ukx n HIS 129 Ca -0.15 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.89 1ukx n HIS 129 Cb 0.44 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 31.21 1ukx n HIS 129 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1ukx n ASN 130 N -1.34 4.37 -4.45 0.41 4.05 0.80 -4.86 115.26 114.24 1ukx n ASN 130 Ca 0.06 -2.94 -0.37 0.00 0.45 0.00 0.00 54.58 51.77 1ukx n ASN 130 Cb 0.12 -1.60 -0.03 0.00 1.23 0.00 0.00 39.78 39.50 1ukx n ASN 130 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1ukx n LYS 131 N 5.43 2.46 -0.37 1.20 5.02 -1.26 -4.95 118.16 125.70 1ukx n LYS 131 Ca 0.47 -2.83 -0.15 0.00 -2.02 0.00 0.00 58.31 53.79 1ukx n LYS 131 Cb 0.38 -3.53 0.13 0.00 -0.02 0.00 0.00 35.03 31.99 1ukx n LYS 131 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ukx n SER 132 N 10.43 -2.09 -2.58 4.39 2.88 -1.26 -4.80 113.62 120.59 1ukx n SER 132 Ca 0.48 -0.68 -0.05 0.00 -1.33 0.00 0.00 58.87 57.29 1ukx n SER 132 Cb 0.45 -0.49 0.01 0.00 -0.75 0.00 0.00 64.21 63.43 1ukx n SER 132 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ukx n GLY 133 N -1.69 -1.15 0.52 0.46 0.00 -1.26 -4.87 105.19 97.21 1ukx n GLY 133 Ca 0.07 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.91 1ukx n GLY 133 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ukx n PRO 134 N -0.61 0.67 -4.31 1.61 -0.04 -1.26 -4.80 135.00 126.26 1ukx n PRO 134 Ca 0.07 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.34 1ukx n PRO 134 Cb 0.39 -1.33 -0.08 0.00 -0.04 0.00 0.00 33.50 32.43 1ukx n PRO 134 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1ukx s SER 135 N -0.28 1.68 -0.53 3.54 0.01 -1.26 -5.09 113.70 111.77 1ukx s SER 135 Ca 0.00 -1.71 -0.27 0.00 1.31 0.00 0.00 55.95 55.28 1ukx s SER 135 Cb 0.00 0.53 -0.02 0.00 0.21 0.00 0.00 66.02 66.74 1ukx s SER 135 CO 0.00 -1.02 1.82 -0.94 0.41 0.00 0.00 173.24 173.51 1ukx s SER 136 N -3.39 5.48 0.00 2.44 1.04 -1.26 -5.19 113.70 112.82 1ukx s SER 136 Ca 0.38 0.61 0.00 0.00 0.48 0.00 0.00 55.95 57.42 1ukx s SER 136 Cb 0.03 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.62 1ukx s SER 136 CO 0.24 -2.16 0.00 0.61 0.98 0.00 0.00 173.24 172.91