#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 0.15 0.26 1.61 0.15 -1.26 -5.12 113.70 109.49 1ukx s SER 2 Ca 0.00 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 55.92 1ukx s SER 2 Cb 0.00 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 1ukx s SER 2 CO 0.00 -0.74 0.00 -1.20 1.20 0.00 0.00 173.24 172.50 1ukx n SER 3 N -0.07 -5.95 -4.98 5.45 7.64 -1.26 -4.93 113.62 109.53 1ukx n SER 3 Ca -0.13 0.49 -0.18 0.00 1.01 0.00 0.00 58.87 60.05 1ukx n SER 3 Cb 0.62 -3.33 0.00 0.00 -1.01 0.00 0.00 64.21 60.50 1ukx n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ukx s GLY 4 N -5.42 1.97 0.73 0.23 0.00 -1.26 -5.15 107.32 98.42 1ukx s GLY 4 Ca 0.00 -1.71 -0.01 0.00 0.00 0.00 0.00 44.72 43.00 1ukx s GLY 4 CO 0.00 -1.53 1.00 -1.35 0.00 0.00 0.00 173.10 171.22 1ukx s SER 5 N -4.30 4.32 0.28 1.64 1.04 -1.26 -5.15 113.70 110.27 1ukx s SER 5 Ca 0.53 -0.37 0.02 0.00 0.48 0.00 0.00 55.95 56.62 1ukx s SER 5 Cb -0.09 -0.00 -0.06 0.00 0.10 0.00 0.00 66.02 65.98 1ukx s SER 5 CO 0.32 -1.88 0.07 -0.44 0.98 0.00 0.00 173.24 172.29 1ukx s SER 6 N -4.74 1.62 0.00 7.02 0.01 -1.26 -4.95 113.70 111.39 1ukx s SER 6 Ca 0.66 -1.36 0.00 0.00 1.31 0.00 0.00 55.95 56.56 1ukx s SER 6 Cb -0.05 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.25 1ukx s SER 6 CO 0.44 -0.67 0.00 0.61 0.41 0.00 0.00 173.24 174.03 1ukx n GLY 7 N -0.53 2.25 7.00 3.44 0.00 -1.26 -4.98 105.19 111.12 1ukx n GLY 7 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1ukx n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ukx n MET 8 N 0.00 0.00 -1.48 1.61 0.00 -1.26 -4.67 117.12 111.32 1ukx n MET 8 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 57.70 57.22 1ukx n MET 8 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.15 1ukx n MET 8 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1ukx n GLU 9 N 14.00 1.13 -3.71 0.03 0.00 -1.26 -4.76 120.64 126.07 1ukx n GLU 9 Ca 0.00 0.28 -0.10 0.00 0.00 0.00 0.00 57.16 57.34 1ukx n GLU 9 Cb 0.00 -2.61 -0.05 0.00 0.00 0.00 0.00 31.44 28.78 1ukx n GLU 9 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1ukx s SER 10 N 8.04 -0.15 0.64 4.31 0.01 -1.26 -5.04 113.70 120.25 1ukx s SER 10 Ca 1.09 -0.43 0.40 0.00 1.31 0.00 0.00 55.95 58.31 1ukx s SER 10 Cb -0.74 0.45 2.19 0.00 0.21 0.00 0.00 66.02 68.13 1ukx s SER 10 CO 0.45 -0.85 2.31 1.88 0.41 0.00 0.00 173.24 177.44 1ukx h TYR 11 N 2.44 0.00 0.00 2.43 0.05 -1.88 -0.51 116.97 119.50 1ukx h TYR 11 Ca -0.33 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.45 1ukx h TYR 11 Cb 1.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.98 1ukx h TYR 11 CO 0.35 0.01 0.18 0.66 -1.05 0.00 0.00 178.16 178.31 1ukx h SER 12 N 0.00 0.00 0.08 3.88 4.64 -1.88 -0.15 113.55 120.12 1ukx h SER 12 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ukx h SER 12 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1ukx h SER 12 CO 0.00 0.00 -0.04 1.56 -0.87 0.00 0.00 176.83 177.48 1ukx h GLN 13 N 0.00 -0.11 -0.83 4.77 4.20 -1.38 -2.43 115.11 119.33 1ukx h GLN 13 Ca 0.00 0.01 0.16 0.00 0.06 0.00 0.00 58.65 58.88 1ukx h GLN 13 Cb 0.36 0.02 -0.16 0.00 0.30 0.00 0.00 27.48 28.01 1ukx h GLN 13 CO 0.00 -0.07 -0.24 0.00 -0.67 0.00 0.00 178.83 177.85 1ukx h ARG 14 N -0.16 -0.02 0.18 1.46 3.08 -1.65 0.13 114.38 117.40 1ukx h ARG 14 Ca -0.01 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.05 1ukx h ARG 14 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1ukx h ARG 14 CO 0.02 -0.01 -0.21 1.96 -1.07 0.00 0.00 179.97 180.66 1ukx h GLN 15 N -0.02 -0.42 -0.56 0.04 4.20 -1.14 0.28 115.11 117.50 1ukx h GLN 15 Ca 0.38 0.03 -0.08 0.00 0.06 0.00 0.00 58.65 59.04 1ukx h GLN 15 Cb 0.61 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 1ukx h GLN 15 CO -0.86 -0.28 0.02 0.22 -0.67 0.00 0.00 178.83 177.25 1ukx h ASP 16 N -0.44 0.91 -0.26 1.46 1.82 -0.78 -2.63 116.42 116.51 1ukx h ASP 16 Ca 0.01 -0.23 0.06 0.00 -0.39 0.00 0.00 57.03 56.47 1ukx h ASP 16 Cb 0.43 -0.24 -0.06 0.00 0.68 0.00 0.00 39.33 40.13 1ukx h ASP 16 CO -0.07 0.96 -0.16 0.45 -1.61 0.00 0.00 179.24 178.80 1ukx h HIS 17 N 0.87 -0.41 0.00 0.28 3.86 -0.48 -2.56 115.15 116.72 1ukx h HIS 17 Ca 0.17 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.33 1ukx h HIS 17 Cb 0.49 0.22 -0.01 0.00 1.06 0.00 0.00 27.41 29.17 1ukx h HIS 17 CO 0.03 -0.24 -0.35 1.49 0.86 0.00 0.00 177.93 179.73 1ukx h GLU 18 N -0.15 0.00 0.07 2.45 4.57 -0.59 -0.97 114.58 119.96 1ukx h GLU 18 Ca 0.14 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.32 1ukx h GLU 18 Cb 0.36 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1ukx h GLU 18 CO -0.35 0.35 -0.03 -0.07 -1.18 0.00 0.00 179.01 177.73 1ukx h LEU 19 N 0.00 -0.08 -1.30 1.64 3.38 -1.20 0.17 115.31 117.93 1ukx h LEU 19 Ca -0.00 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 1ukx h LEU 19 Cb 0.66 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1ukx h LEU 19 CO 0.05 0.41 0.35 1.56 0.09 0.00 0.00 178.44 180.90 1ukx h GLN 20 N -0.60 0.83 -0.27 1.13 4.20 -1.32 -0.36 115.11 118.72 1ukx h GLN 20 Ca -0.01 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1ukx h GLN 20 Cb 0.51 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1ukx h GLN 20 CO 0.02 0.60 0.07 0.00 -0.67 0.00 0.00 178.83 178.84 1ukx h ALA 21 N 1.54 0.36 -0.03 3.87 0.00 -1.05 -2.75 119.26 121.20 1ukx h ALA 21 Ca 0.22 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1ukx h ALA 21 Cb -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1ukx h ALA 21 CO -0.04 0.01 -0.17 -0.07 0.00 0.00 0.00 179.25 178.98 1ukx h LEU 22 N 0.27 0.04 -0.89 0.00 3.38 -0.06 -0.87 115.31 117.18 1ukx h LEU 22 Ca 0.09 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1ukx h LEU 22 Cb 0.28 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1ukx h LEU 22 CO 0.00 0.21 -0.26 -0.08 0.09 0.00 0.00 178.44 178.41 1ukx h GLU 23 N 0.04 0.52 -0.09 1.13 4.81 -0.91 -0.68 114.58 119.40 1ukx h GLU 23 Ca 0.01 -0.20 -0.24 0.00 -0.13 0.00 0.00 59.36 58.80 1ukx h GLU 23 Cb 0.33 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.69 1ukx h GLU 23 CO 0.02 0.74 -0.87 0.00 -0.73 0.00 0.00 179.01 178.17 1ukx h ALA 24 N 1.27 0.27 -0.26 2.92 0.00 -1.08 0.83 119.26 123.21 1ukx h ALA 24 Ca 0.07 -0.64 -0.05 0.00 0.00 0.00 0.00 54.91 54.29 1ukx h ALA 24 Cb 0.69 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1ukx h ALA 24 CO 0.05 0.70 -0.01 0.82 0.00 0.00 0.00 179.25 180.80 1ukx h ILE 25 N 0.46 1.26 0.00 0.00 1.08 -0.93 -3.40 117.51 115.99 1ukx h ILE 25 Ca -0.08 -0.95 -0.19 0.00 -0.39 0.00 0.00 64.86 63.25 1ukx h ILE 25 Cb 1.51 1.37 -0.03 0.00 -3.07 0.00 0.00 36.82 36.60 1ukx h ILE 25 CO 0.17 0.30 -1.52 -1.22 -0.69 0.00 0.00 178.15 175.19 1ukx n TYR 26 N -4.60 0.00 -3.13 1.37 4.01 -0.28 -5.02 117.16 109.50 1ukx n TYR 26 Ca -0.03 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.50 1ukx n TYR 26 Cb 0.26 -0.59 -0.00 0.00 -0.31 0.00 0.00 39.34 38.70 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 1.79 -0.49 0.00 2.72 0.00 0.28 -4.36 105.19 105.13 1ukx n GLY 27 Ca -0.27 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1ukx n GLY 27 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ukx n SER 28 N -2.20 0.00 0.25 1.61 2.88 -1.26 -4.95 113.62 109.95 1ukx n SER 28 Ca -0.05 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.58 1ukx n SER 28 Cb 0.56 0.00 0.66 0.00 -0.75 0.00 0.00 64.21 64.68 1ukx n SER 28 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1ukx h ASP 29 N 0.00 0.00 -3.12 -3.46 3.32 -1.89 -3.40 116.42 107.86 1ukx h ASP 29 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 1ukx h ASP 29 Cb 0.00 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 1ukx h ASP 29 CO 0.00 0.11 0.72 0.12 -1.72 0.00 0.00 179.24 178.47 1ukx s PHE 30 N -4.59 3.33 -0.26 4.55 5.36 -1.26 -2.12 117.98 122.99 1ukx s PHE 30 Ca -0.04 1.44 0.00 0.00 -0.96 0.00 0.00 56.93 57.37 1ukx s PHE 30 Cb 0.15 -3.28 0.07 0.00 -0.34 0.00 0.00 43.02 39.62 1ukx s PHE 30 CO 0.64 -0.61 -0.00 -1.14 -1.46 0.00 0.00 175.22 172.65 1ukx s GLN 31 N 2.75 1.32 0.17 10.12 0.74 -0.01 -4.79 119.66 129.95 1ukx s GLN 31 Ca 0.48 -1.04 -0.31 0.00 0.05 0.00 0.00 55.36 54.54 1ukx s GLN 31 Cb -0.18 -2.49 -0.10 0.00 1.10 0.00 0.00 33.01 31.34 1ukx s GLN 31 CO 0.12 -0.71 1.50 0.16 -0.55 0.00 0.00 175.29 175.81 1ukx s ASP 32 N 1.43 6.65 0.00 6.67 -4.77 -1.26 -1.16 116.67 124.24 1ukx s ASP 32 Ca -0.00 2.56 0.00 0.00 -3.30 0.00 0.00 52.55 51.80 1ukx s ASP 32 Cb -0.18 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.05 1ukx s ASP 32 CO -0.10 -0.76 0.49 0.18 0.70 0.00 0.00 175.17 175.68 1ukx n LEU 33 N 3.70 0.98 -4.53 2.11 4.77 -0.37 -4.92 117.00 118.74 1ukx n LEU 33 Ca 0.12 -0.98 -0.34 0.00 -0.03 0.00 0.00 56.01 54.78 1ukx n LEU 33 Cb 0.40 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.37 1ukx n LEU 33 CO 0.61 0.25 -0.35 0.00 -1.33 0.00 0.00 177.39 176.56 1ukx s ARG 34 N -0.05 3.45 0.71 3.23 1.04 -0.84 -4.81 118.95 121.69 1ukx s ARG 34 Ca 0.00 -0.51 -0.13 0.00 -1.04 0.00 0.00 55.73 54.05 1ukx s ARG 34 Cb 0.00 -2.85 0.03 0.00 -2.04 0.00 0.00 34.95 30.08 1ukx s ARG 34 CO 0.00 0.36 1.10 -1.25 -0.04 0.00 0.00 175.30 175.47 1ukx s PRO 35 N 0.03 2.57 0.00 3.89 0.04 -1.26 -4.96 135.00 135.32 1ukx s PRO 35 Ca 0.00 1.26 -0.30 0.00 0.04 0.00 0.00 61.00 62.00 1ukx s PRO 35 Cb -0.13 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 1ukx s PRO 35 CO 0.03 -1.41 2.01 0.34 0.04 0.00 0.00 177.00 178.01 1ukx s ASP 36 N -3.03 6.31 -0.19 6.66 2.15 -1.26 -4.98 116.67 122.32 1ukx s ASP 36 Ca 0.64 2.58 -0.06 0.00 0.43 0.00 0.00 52.55 56.14 1ukx s ASP 36 Cb -0.18 -2.53 0.09 0.00 -0.30 0.00 0.00 42.92 40.00 1ukx s ASP 36 CO 0.49 -1.18 0.39 0.00 -0.17 0.00 0.00 175.17 174.70 1ukx s ALA 37 N 5.00 -1.06 0.42 3.66 0.00 -1.26 -5.16 121.76 123.37 1ukx s ALA 37 Ca 0.91 1.35 0.03 0.00 0.00 0.00 0.00 51.96 54.25 1ukx s ALA 37 Cb -0.42 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.36 1ukx s ALA 37 CO 0.41 -0.80 0.10 1.03 0.00 0.00 0.00 175.76 176.50 1ukx s ARG 38 N 2.58 1.96 3.75 0.00 0.52 -1.26 -4.96 118.95 121.53 1ukx s ARG 38 Ca 0.00 -2.20 0.00 0.00 -0.52 0.00 0.00 55.73 53.01 1ukx s ARG 38 Cb -0.12 -0.79 0.00 0.00 0.52 0.00 0.00 34.95 34.55 1ukx s ARG 38 CO -0.12 -0.44 0.00 0.41 0.02 0.00 0.00 175.30 175.17 1ukx n GLY 39 N -0.96 1.36 3.15 -3.53 0.00 -1.26 -4.88 105.19 99.07 1ukx n GLY 39 Ca -0.08 0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 1ukx n GLY 39 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ukx n ARG 40 N 0.00 -1.91 -0.74 1.61 1.85 -1.26 -4.77 116.66 111.44 1ukx n ARG 40 Ca 0.00 -0.55 -0.32 0.00 -1.00 0.00 0.00 57.85 55.98 1ukx n ARG 40 Cb 0.00 -1.57 -0.05 0.00 -1.05 0.00 0.00 32.46 29.79 1ukx n ARG 40 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 177.63 179.17 1ukx n VAL 41 N -4.42 0.00 -0.87 8.89 3.14 -1.26 -4.90 118.33 118.90 1ukx n VAL 41 Ca 0.03 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.12 1ukx n VAL 41 Cb 0.52 -0.25 0.22 0.00 -1.06 0.00 0.00 33.84 33.28 1ukx n VAL 41 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ukx s ARG 42 N 2.25 -0.59 0.22 1.45 1.70 -1.26 -5.00 118.95 117.73 1ukx s ARG 42 Ca 0.56 0.51 0.00 0.00 -0.47 0.00 0.00 55.73 56.33 1ukx s ARG 42 Cb -0.74 -1.62 -0.04 0.00 -0.57 0.00 0.00 34.95 31.97 1ukx s ARG 42 CO 0.37 -3.42 0.13 -1.21 -1.08 0.00 0.00 175.30 170.09 1ukx s GLU 43 N -4.83 1.28 0.28 3.89 2.02 -1.26 -5.13 118.70 114.94 1ukx s GLU 43 Ca 0.67 -1.69 -0.29 0.00 0.02 0.00 0.00 54.97 53.68 1ukx s GLU 43 Cb -0.20 0.16 -0.10 0.00 0.10 0.00 0.00 34.13 34.10 1ukx s GLU 43 CO 0.60 -0.39 1.32 -1.25 0.02 0.00 0.00 175.26 175.56 1ukx s PRO 44 N -4.09 4.37 -1.18 0.39 0.04 -1.26 -4.89 135.00 128.39 1ukx s PRO 44 Ca 0.39 2.16 -0.15 0.00 0.04 0.00 0.00 61.00 63.44 1ukx s PRO 44 Cb 0.07 -3.12 -0.06 0.00 0.04 0.00 0.00 34.50 31.43 1ukx s PRO 44 CO 0.13 -0.22 2.22 -0.35 0.04 0.00 0.00 177.00 178.83 1ukx n PRO 45 N 1.58 2.42 -2.05 0.56 -0.04 -1.22 -4.77 135.00 131.47 1ukx n PRO 45 Ca 0.03 -2.12 -0.42 0.00 -0.04 0.00 0.00 63.50 60.95 1ukx n PRO 45 Cb 0.42 -2.97 -0.03 0.00 -0.04 0.00 0.00 33.50 30.88 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 3.67 4.25 0.15 0.54 2.12 -1.26 -4.71 118.70 123.47 1ukx s GLU 46 Ca 0.53 2.19 -0.04 0.00 0.36 0.00 0.00 54.97 58.01 1ukx s GLU 46 Cb 0.14 -3.44 -0.03 0.00 0.26 0.00 0.00 34.13 31.07 1ukx s GLU 46 CO -0.01 -0.61 0.15 0.96 -0.54 0.00 0.00 175.26 175.21 1ukx s ILE 47 N 1.98 0.08 0.08 -3.70 -5.25 -1.00 -1.24 121.20 112.15 1ukx s ILE 47 Ca 0.69 -1.74 0.07 0.00 -0.99 0.00 0.00 60.65 58.68 1ukx s ILE 47 Cb -0.38 -2.04 -0.03 0.00 2.95 0.00 0.00 42.46 42.96 1ukx s ILE 47 CO 0.30 -0.34 -0.19 0.21 -1.79 0.00 0.00 174.94 173.13 1ukx s ASN 48 N -3.04 2.28 0.08 4.36 2.47 -0.31 -1.42 114.94 119.37 1ukx s ASN 48 Ca 0.24 -0.62 0.09 0.00 0.42 0.00 0.00 52.86 52.98 1ukx s ASN 48 Cb 0.06 -0.13 -0.03 0.00 -1.45 0.00 0.00 41.25 39.69 1ukx s ASN 48 CO 0.03 0.05 -0.23 -0.76 -3.72 0.00 0.00 177.10 172.47 1ukx s LEU 49 N -1.66 2.23 -0.09 3.21 1.43 0.58 -0.83 118.68 123.55 1ukx s LEU 49 Ca 0.05 -0.63 -0.06 0.00 -1.03 0.00 0.00 54.13 52.46 1ukx s LEU 49 Cb -0.10 -1.06 -0.04 0.00 0.03 0.00 0.00 46.19 45.03 1ukx s LEU 49 CO 0.03 0.16 0.15 -0.69 0.23 0.00 0.00 176.35 176.22 1ukx s VAL 50 N -0.95 5.44 -0.02 -1.59 1.01 -0.90 -0.30 120.40 123.10 1ukx s VAL 50 Ca 0.09 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1ukx s VAL 50 Cb -0.10 -3.41 0.02 0.00 0.00 0.00 0.00 36.38 32.89 1ukx s VAL 50 CO 0.03 0.54 -0.00 -0.76 0.00 0.00 0.00 175.10 174.92 1ukx s LEU 51 N -1.26 1.50 0.29 3.92 1.43 -0.81 -4.85 118.68 118.90 1ukx s LEU 51 Ca 0.18 -0.01 0.11 0.00 -1.03 0.00 0.00 54.13 53.37 1ukx s LEU 51 Cb -0.12 -0.13 -0.05 0.00 0.03 0.00 0.00 46.19 45.91 1ukx s LEU 51 CO 0.08 -0.05 -0.16 -0.31 0.23 0.00 0.00 176.35 176.13 1ukx s TYR 52 N 0.58 2.26 0.32 0.29 2.02 -1.26 -2.42 117.35 119.15 1ukx s TYR 52 Ca -0.05 -0.41 -0.27 0.00 -0.37 0.00 0.00 57.07 55.96 1ukx s TYR 52 Cb -0.08 -1.09 -0.09 0.00 -0.40 0.00 0.00 41.96 40.29 1ukx s TYR 52 CO -0.01 0.63 1.05 -1.25 -1.57 0.00 0.00 175.55 174.40 1ukx s PRO 53 N -3.56 4.48 -0.20 -1.71 0.04 -1.26 -4.62 135.00 128.18 1ukx s PRO 53 Ca 0.30 1.63 -0.29 0.00 0.04 0.00 0.00 61.00 62.68 1ukx s PRO 53 Cb -0.02 -2.93 -0.05 0.00 0.04 0.00 0.00 34.50 31.55 1ukx s PRO 53 CO 0.15 0.11 2.00 -0.65 0.04 0.00 0.00 177.00 178.65 1ukx s GLN 54 N -1.86 3.44 0.00 4.56 -0.21 -1.25 -3.45 119.66 120.89 1ukx s GLN 54 Ca 0.50 1.95 0.00 0.00 0.02 0.00 0.00 55.36 57.83 1ukx s GLN 54 Cb -0.27 -4.25 0.00 0.00 1.00 0.00 0.00 33.01 29.49 1ukx s GLN 54 CO 0.34 -1.74 0.00 0.41 -2.12 0.00 0.00 175.29 172.17 1ukx n GLY 55 N 5.33 0.07 2.82 3.09 0.00 -1.26 -4.93 105.19 110.30 1ukx n GLY 55 Ca 0.25 0.14 -0.28 0.00 0.00 0.00 0.00 46.02 46.13 1ukx n GLY 55 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ukx s LEU 56 N 0.00 1.43 -0.64 0.99 2.01 -1.22 -5.04 118.68 116.21 1ukx s LEU 56 Ca 0.00 -0.73 -0.24 0.00 0.01 0.00 0.00 54.13 53.17 1ukx s LEU 56 Cb 0.00 -0.75 -0.20 0.00 0.01 0.00 0.00 46.19 45.24 1ukx s LEU 56 CO 0.00 -0.24 1.86 0.00 1.01 0.00 0.00 176.35 178.97 1ukx n ALA 57 N 4.96 2.63 -2.78 4.21 0.00 -1.26 -4.23 120.51 124.03 1ukx n ALA 57 Ca -0.10 -3.14 -0.16 0.00 0.00 0.00 0.00 53.44 50.03 1ukx n ALA 57 Cb 0.47 -3.65 0.02 0.00 0.00 0.00 0.00 19.45 16.30 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 4.74 -0.20 3.39 0.00 0.00 -1.26 -5.02 105.19 106.84 1ukx n GLY 58 Ca 0.49 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 46.05 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 -5.35 3.21 1.33 1.61 -6.30 -1.26 -4.92 118.70 107.03 1ukx s GLU 59 Ca 0.21 -0.69 0.00 0.00 -2.50 0.00 0.00 54.97 51.99 1ukx s GLU 59 Cb -0.09 -2.58 0.00 0.00 0.00 0.00 0.00 34.13 31.46 1ukx s GLU 59 CO 0.26 0.30 0.00 0.39 0.02 0.00 0.00 175.26 176.23 1ukx n GLU 60 N 3.28 0.00 -1.17 4.30 -0.58 -1.26 -4.78 120.64 120.44 1ukx n GLU 60 Ca -0.18 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.56 1ukx n GLU 60 Cb 0.53 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.40 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 -4.08 -0.10 2.62 0.31 -1.26 -5.01 118.33 110.82 1ukx n VAL 61 Ca 0.00 1.71 -0.13 0.00 -0.01 0.00 0.00 64.34 65.91 1ukx n VAL 61 Cb 0.00 -2.46 -0.09 0.00 -0.91 0.00 0.00 33.84 30.38 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 -0.41 0.00 -4.88 3.52 4.02 -1.26 -4.95 117.16 113.20 1ukx n TYR 62 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.62 1ukx n TYR 62 Cb 0.00 -0.75 -0.16 0.00 -0.02 0.00 0.00 39.34 38.41 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 -2.39 1.51 0.13 -0.72 -7.23 -1.26 -2.18 120.40 108.26 1ukx s VAL 63 Ca -0.25 -0.75 -0.10 0.00 -1.81 0.00 0.00 61.98 59.07 1ukx s VAL 63 Cb 0.07 -1.30 -0.00 0.00 0.56 0.00 0.00 36.38 35.71 1ukx s VAL 63 CO 0.47 0.43 0.27 0.00 -0.31 0.00 0.00 175.10 175.95 1ukx s GLN 64 N 0.08 1.04 0.11 4.82 -2.07 -1.26 -4.11 119.66 118.27 1ukx s GLN 64 Ca -0.06 -1.04 -0.10 0.00 -1.82 0.00 0.00 55.36 52.34 1ukx s GLN 64 Cb -0.12 0.38 0.00 0.00 -1.09 0.00 0.00 33.01 32.18 1ukx s GLN 64 CO 0.03 -0.37 0.24 0.54 -1.32 0.00 0.00 175.29 174.41 1ukx s VAL 65 N -3.91 0.12 -0.34 3.63 0.11 -1.01 -1.62 120.40 117.38 1ukx s VAL 65 Ca 0.11 -1.12 -0.12 0.00 -2.93 0.00 0.00 61.98 57.92 1ukx s VAL 65 Cb 0.04 -1.40 -0.01 0.00 -1.53 0.00 0.00 36.38 33.48 1ukx s VAL 65 CO -0.05 -0.54 0.21 -1.61 -3.33 0.00 0.00 175.10 169.78 1ukx s GLU 66 N -3.87 3.36 -0.30 1.54 2.02 -0.38 -1.93 118.70 119.14 1ukx s GLU 66 Ca 0.07 -0.72 -0.18 0.00 0.02 0.00 0.00 54.97 54.15 1ukx s GLU 66 Cb 0.04 -3.72 -0.02 0.00 0.10 0.00 0.00 34.13 30.53 1ukx s GLU 66 CO -0.09 -0.47 0.52 -1.17 0.02 0.00 0.00 175.26 174.07 1ukx s LEU 67 N 1.67 4.17 -0.07 1.80 0.20 0.60 -0.36 118.68 126.68 1ukx s LEU 67 Ca 0.05 0.29 0.04 0.00 0.69 0.00 0.00 54.13 55.20 1ukx s LEU 67 Cb -0.17 -2.63 0.00 0.00 -0.43 0.00 0.00 46.19 42.95 1ukx s LEU 67 CO 0.09 -0.37 -0.18 -0.60 -0.29 0.00 0.00 176.35 174.99 1ukx s ARG 68 N 2.36 2.22 0.03 1.98 3.00 -0.41 -0.31 118.95 127.83 1ukx s ARG 68 Ca 0.20 -0.66 0.03 0.00 -1.00 0.00 0.00 55.73 54.30 1ukx s ARG 68 Cb -0.15 -1.79 -0.02 0.00 0.00 0.00 0.00 34.95 32.99 1ukx s ARG 68 CO 0.11 0.17 -0.08 0.08 0.00 0.00 0.00 175.30 175.57 1ukx s VAL 69 N 0.32 0.62 -0.11 7.11 1.01 -0.51 -0.83 120.40 128.01 1ukx s VAL 69 Ca -0.12 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 60.92 1ukx s VAL 69 Cb -0.15 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 1ukx s VAL 69 CO 0.05 -0.21 -0.14 1.17 0.00 0.00 0.00 175.10 175.98 1ukx n LYS 70 N 1.84 0.25 -1.60 2.72 4.81 -1.26 -2.37 118.16 122.55 1ukx n LYS 70 Ca -0.20 0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.34 1ukx n LYS 70 Cb 0.55 -0.97 0.00 0.00 0.02 0.00 0.00 35.03 34.63 1ukx n LYS 70 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ukx s PRO 72 N -5.31 2.44 0.00 0.00 0.04 -1.26 -4.77 135.00 126.15 1ukx s PRO 72 Ca 0.00 0.34 0.13 0.00 0.04 0.00 0.00 61.00 61.50 1ukx s PRO 72 Cb 0.00 -1.99 0.68 0.00 0.04 0.00 0.00 34.50 33.24 1ukx s PRO 72 CO 0.00 -1.30 1.29 -0.35 0.04 0.00 0.00 177.00 176.68 1ukx n PRO 73 N -3.16 0.24 0.00 0.56 -0.04 -1.26 -2.66 135.00 128.68 1ukx n PRO 73 Ca 0.07 0.12 0.04 0.00 -0.04 0.00 0.00 63.50 63.69 1ukx n PRO 73 Cb 0.59 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.21 0.00 -1.69 0.52 -2.24 -1.26 -4.63 114.28 103.77 1ukx n THR 74 Ca 0.07 -0.45 -0.43 0.00 -2.27 0.00 0.00 64.05 60.97 1ukx n THR 74 Cb 0.09 1.11 -0.01 0.00 -2.10 0.00 0.00 70.33 69.42 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 -0.06 2.25 1.30 4.78 4.19 -1.09 -1.18 117.16 127.35 1ukx n TYR 75 Ca 0.03 0.54 0.12 0.00 3.31 0.00 0.00 57.90 61.90 1ukx n TYR 75 Cb 0.16 -2.42 0.42 0.00 0.49 0.00 0.00 39.34 38.00 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 0.78 1.75 -0.01 2.98 -0.04 -1.26 -4.79 135.00 134.40 1ukx n PRO 76 Ca 0.06 -1.10 0.17 0.00 -0.04 0.00 0.00 63.50 62.58 1ukx n PRO 76 Cb 0.35 -1.44 0.63 0.00 -0.04 0.00 0.00 33.50 33.01 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 2.41 0.11 -4.12 3.54 1.82 -1.52 -3.30 116.42 115.37 1ukx h ASP 77 Ca 0.00 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 56.34 1ukx h ASP 77 Cb 0.52 -0.02 -0.15 0.00 0.68 0.00 0.00 39.33 40.37 1ukx h ASP 77 CO 0.00 0.06 -0.71 0.54 -1.61 0.00 0.00 179.24 177.53 1ukx s VAL 78 N -5.14 1.05 0.46 2.25 0.11 -1.19 -4.84 120.40 113.11 1ukx s VAL 78 Ca -0.06 -2.03 -0.25 0.00 -2.93 0.00 0.00 61.98 56.71 1ukx s VAL 78 Cb 0.20 -1.83 -0.08 0.00 -1.53 0.00 0.00 36.38 33.14 1ukx s VAL 78 CO 0.73 -0.76 1.41 0.68 -3.33 0.00 0.00 175.10 173.83 1ukx s VAL 79 N -3.40 2.13 0.56 2.04 -7.23 -1.26 -3.92 120.40 109.31 1ukx s VAL 79 Ca 0.16 0.11 -0.19 0.00 -1.81 0.00 0.00 61.98 60.26 1ukx s VAL 79 Cb 0.03 -3.07 -0.05 0.00 0.56 0.00 0.00 36.38 33.86 1ukx s VAL 79 CO -0.00 0.01 1.11 -2.16 -0.31 0.00 0.00 175.10 173.75 1ukx s PRO 80 N -2.48 3.31 0.67 4.82 0.04 -1.26 -4.53 135.00 135.57 1ukx s PRO 80 Ca 0.62 1.53 -0.15 0.00 0.04 0.00 0.00 61.00 63.04 1ukx s PRO 80 Cb -0.43 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.11 1ukx s PRO 80 CO 0.55 -0.87 1.11 -2.00 0.04 0.00 0.00 177.00 175.83 1ukx s GLU 81 N -3.44 2.73 -0.03 4.56 2.12 -1.26 -4.91 118.70 118.46 1ukx s GLU 81 Ca 0.71 1.39 0.01 0.00 0.36 0.00 0.00 54.97 57.43 1ukx s GLU 81 Cb -0.22 -1.94 0.02 0.00 0.26 0.00 0.00 34.13 32.25 1ukx s GLU 81 CO 0.29 -1.30 -0.02 0.42 -0.54 0.00 0.00 175.26 174.10 1ukx s ILE 82 N -2.37 0.33 0.01 -3.70 1.01 -1.26 -4.02 121.20 111.20 1ukx s ILE 82 Ca 0.67 -0.03 0.08 0.00 0.00 0.00 0.00 60.65 61.37 1ukx s ILE 82 Cb -0.21 -0.38 -0.02 0.00 0.01 0.00 0.00 42.46 41.86 1ukx s ILE 82 CO 0.43 0.17 -0.24 -1.81 0.00 0.00 0.00 174.94 173.48 1ukx s ASP 83 N 0.81 2.89 -0.28 3.58 1.01 -0.01 -5.03 116.67 119.64 1ukx s ASP 83 Ca -0.09 -0.49 -0.03 0.00 0.71 0.00 0.00 52.55 52.64 1ukx s ASP 83 Cb -0.12 -0.29 0.03 0.00 1.01 0.00 0.00 42.92 43.54 1ukx s ASP 83 CO -0.01 0.27 -0.00 -0.76 0.21 0.00 0.00 175.17 174.88 1ukx s LEU 84 N -0.84 3.61 0.38 1.23 2.01 -1.26 -1.29 118.68 122.52 1ukx s LEU 84 Ca 0.10 -0.97 0.08 0.00 0.01 0.00 0.00 54.13 53.35 1ukx s LEU 84 Cb -0.09 -1.74 -0.03 0.00 0.01 0.00 0.00 46.19 44.33 1ukx s LEU 84 CO 0.00 -0.19 0.27 -0.54 1.01 0.00 0.00 176.35 176.90 1ukx s LYS 85 N 1.35 2.50 -1.42 1.70 -0.14 0.52 -4.81 119.74 119.43 1ukx s LYS 85 Ca -0.01 -1.52 -0.04 0.00 -1.36 0.00 0.00 55.97 53.03 1ukx s LYS 85 Cb -0.18 -2.30 0.01 0.00 -1.68 0.00 0.00 37.83 33.68 1ukx s LYS 85 CO -0.01 -0.03 0.08 0.09 -0.76 0.00 0.00 175.35 174.71 1ukx n ASN 86 N -1.36 0.28 -4.78 2.83 3.02 -1.26 -1.24 115.26 112.74 1ukx n ASN 86 Ca -0.00 -1.21 -0.36 0.00 -0.03 0.00 0.00 54.58 52.98 1ukx n ASN 86 Cb 0.61 -1.50 -0.02 0.00 -0.61 0.00 0.00 39.78 38.27 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 -4.22 2.93 0.00 5.41 0.00 -1.26 -3.96 121.76 120.66 1ukx s ALA 87 Ca 0.06 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.83 1ukx s ALA 87 Cb -0.03 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1ukx s ALA 87 CO 0.94 -0.53 0.00 1.17 0.00 0.00 0.00 175.76 177.35 1ukx n LYS 88 N -0.61 0.00 0.00 0.00 3.00 -0.64 -4.67 118.16 115.23 1ukx n LYS 88 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 1ukx n LYS 88 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.53 1ukx n LYS 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ukx n GLY 89 N 4.01 -0.00 2.80 3.14 0.00 -0.92 -3.08 105.19 111.13 1ukx n GLY 89 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.00 3.88 -4.56 0.99 4.77 -1.26 -4.95 117.00 114.87 1ukx n LEU 90 Ca 0.00 -5.28 -0.43 0.00 -0.03 0.00 0.00 56.01 50.27 1ukx n LEU 90 Cb 0.00 -0.86 -0.00 0.00 -2.33 0.00 0.00 43.42 40.23 1ukx n LEU 90 CO 0.00 1.81 1.89 -0.44 -1.33 0.00 0.00 177.39 179.32 1ukx s SER 91 N -1.52 6.87 0.00 -1.43 0.01 -1.18 -4.29 113.70 112.17 1ukx s SER 91 Ca 0.31 -2.53 0.00 0.00 1.31 0.00 0.00 55.95 55.04 1ukx s SER 91 Cb 0.02 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1ukx s SER 91 CO -0.08 -1.11 0.00 -3.20 0.41 0.00 0.00 173.24 169.26 1ukx n ASN 92 N 7.99 -3.79 0.00 2.44 5.15 -1.26 -4.92 115.26 120.86 1ukx n ASN 92 Ca 0.47 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.45 1ukx n ASN 92 Cb 0.46 -2.42 0.00 0.00 -0.53 0.00 0.00 39.78 37.29 1ukx n ASN 92 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1ukx n GLU 93 N -0.63 0.00 0.06 1.20 1.02 -1.26 -4.60 120.64 116.43 1ukx n GLU 93 Ca 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 1ukx n GLU 93 Cb 0.26 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 31.72 1ukx n GLU 93 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ukx n SER 94 N 0.00 0.04 -0.19 1.62 2.88 -1.26 -1.00 113.62 115.72 1ukx n SER 94 Ca 0.00 0.18 -0.01 0.00 -1.33 0.00 0.00 58.87 57.72 1ukx n SER 94 Cb 0.00 -0.12 0.09 0.00 -0.75 0.00 0.00 64.21 63.44 1ukx n SER 94 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1ukx h VAL 95 N 0.00 0.75 -0.26 2.46 2.07 -1.81 0.16 116.25 119.62 1ukx h VAL 95 Ca 0.00 -0.12 -0.10 0.00 0.82 0.00 0.00 66.70 67.30 1ukx h VAL 95 Cb 0.96 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1ukx h VAL 95 CO 0.00 0.06 -0.27 0.78 0.02 0.00 0.00 177.57 178.16 1ukx h ASN 96 N 0.34 0.52 0.75 0.57 2.35 -1.32 0.57 115.58 119.36 1ukx h ASN 96 Ca 0.29 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 1ukx h ASN 96 Cb 0.37 -0.14 0.01 0.00 0.05 0.00 0.00 38.32 38.60 1ukx h ASN 96 CO -0.32 0.78 -0.36 0.25 -1.65 0.00 0.00 177.43 176.13 1ukx h LEU 97 N 0.45 -0.85 -1.11 1.61 6.46 -1.57 -1.58 115.31 118.73 1ukx h LEU 97 Ca 0.06 0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.77 1ukx h LEU 97 Cb 0.70 0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.84 1ukx h LEU 97 CO 0.05 -0.56 -0.13 0.25 -0.62 0.00 0.00 178.44 177.44 1ukx h LEU 98 N -1.08 0.46 -0.43 2.25 5.85 -0.74 -0.62 115.31 121.00 1ukx h LEU 98 Ca -0.10 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.45 1ukx h LEU 98 Cb 0.78 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1ukx h LEU 98 CO 0.17 0.62 0.08 0.50 -0.34 0.00 0.00 178.44 179.47 1ukx h LYS 99 N 0.44 0.72 -0.55 1.25 3.64 -0.88 0.79 116.57 121.99 1ukx h LYS 99 Ca 0.08 -0.19 0.06 0.00 -1.27 0.00 0.00 60.65 59.34 1ukx h LYS 99 Cb 0.49 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1ukx h LYS 99 CO 0.03 0.74 0.37 0.77 -2.27 0.00 0.00 179.45 179.09 1ukx h SER 100 N 0.58 0.43 0.10 4.20 0.02 -0.21 0.37 113.55 119.05 1ukx h SER 100 Ca 0.13 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1ukx h SER 100 Cb 0.37 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1ukx h SER 100 CO 0.01 0.28 -0.05 0.45 -1.14 0.00 0.00 176.83 176.38 1ukx h HIS 101 N 0.50 -0.13 -0.20 3.45 3.86 -0.53 -3.14 115.15 118.96 1ukx h HIS 101 Ca 0.24 -0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.41 1ukx h HIS 101 Cb 0.31 0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 1ukx h HIS 101 CO -0.00 0.38 -0.05 -0.07 0.86 0.00 0.00 177.93 179.04 1ukx h LEU 102 N -0.75 0.27 -1.54 2.43 3.38 -0.66 0.70 115.31 119.13 1ukx h LEU 102 Ca -0.01 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1ukx h LEU 102 Cb 0.56 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1ukx h LEU 102 CO 0.02 0.37 -0.15 -0.33 0.09 0.00 0.00 178.44 178.44 1ukx h GLU 103 N 0.29 0.11 0.13 1.13 5.08 -0.99 -0.78 114.58 119.56 1ukx h GLU 103 Ca 0.06 -0.02 -0.27 0.00 -1.00 0.00 0.00 59.36 58.13 1ukx h GLU 103 Cb 0.28 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1ukx h GLU 103 CO 0.01 0.26 -1.34 0.93 -1.00 0.00 0.00 179.01 177.88 1ukx h GLU 104 N 0.11 0.28 -0.64 2.33 4.39 -1.13 -3.31 114.58 116.61 1ukx h GLU 104 Ca 0.02 -0.47 0.09 0.00 0.34 0.00 0.00 59.36 59.34 1ukx h GLU 104 Cb 0.33 0.18 -0.07 0.00 -0.10 0.00 0.00 28.75 29.08 1ukx h GLU 104 CO 0.02 1.23 0.28 1.25 -1.16 0.00 0.00 179.01 180.63 1ukx h LEU 105 N -0.27 0.33 -0.59 1.33 5.85 -0.80 -1.11 115.31 120.06 1ukx h LEU 105 Ca -0.28 0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.63 1ukx h LEU 105 Cb 1.78 0.02 -0.10 0.00 0.37 0.00 0.00 40.66 42.73 1ukx h LEU 105 CO 0.09 0.19 -0.03 0.00 -0.34 0.00 0.00 178.44 178.36 1ukx h ALA 106 N 1.41 0.54 -0.51 1.25 0.00 -1.29 -1.45 119.26 119.20 1ukx h ALA 106 Ca 0.32 0.19 -0.10 0.00 0.00 0.00 0.00 54.91 55.32 1ukx h ALA 106 Cb 0.35 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1ukx h ALA 106 CO -0.28 -0.40 -0.07 0.87 0.00 0.00 0.00 179.25 179.38 1ukx h LYS 107 N 0.09 0.92 -0.70 0.00 1.57 -1.31 -1.75 116.57 115.39 1ukx h LYS 107 Ca 0.30 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1ukx h LYS 107 Cb 0.48 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 1ukx h LYS 107 CO -0.52 0.95 0.32 0.87 -0.57 0.00 0.00 179.45 180.50 1ukx h LYS 108 N 0.83 1.02 -0.00 3.15 1.57 -0.66 -2.67 116.57 119.80 1ukx h LYS 108 Ca 0.14 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1ukx h LYS 108 Cb 0.58 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1ukx h LYS 108 CO 0.04 0.81 -0.15 1.04 -0.57 0.00 0.00 179.45 180.61 1ukx n GLN 109 N -4.42 0.48 -1.58 3.15 1.13 -0.63 -4.86 117.38 110.65 1ukx n GLN 109 Ca 0.05 -0.17 -0.44 0.00 -1.94 0.00 0.00 57.00 54.50 1ukx n GLN 109 Cb 0.14 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 28.96 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 5.79 1.21 0.00 0.00 0.00 -1.24 -5.05 105.19 105.90 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 -2.88 1.61 0.28 -0.80 -4.97 120.64 113.88 1ukx n GLU 112 Ca 0.00 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 56.56 1ukx n GLU 112 Cb 0.00 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 32.87 1ukx n GLU 112 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1ukx s VAL 113 N -2.32 4.85 0.02 3.84 -7.23 -1.26 -4.83 120.40 113.47 1ukx s VAL 113 Ca 0.00 -2.39 0.30 0.00 -1.81 0.00 0.00 61.98 58.08 1ukx s VAL 113 Cb 0.00 -4.94 0.31 0.00 0.56 0.00 0.00 36.38 32.31 1ukx s VAL 113 CO 0.00 -1.67 1.91 0.00 -0.31 0.00 0.00 175.10 175.02 1ukx h MET 114 N 7.44 0.00 -0.77 4.82 -0.00 -1.93 -3.08 114.93 121.41 1ukx h MET 114 Ca 0.32 0.00 0.15 0.00 -0.00 0.00 0.00 59.70 60.16 1ukx h MET 114 Cb 0.89 0.00 -0.10 0.00 -0.00 0.00 0.00 31.60 32.39 1ukx h MET 114 CO 1.26 0.00 0.31 0.82 -0.00 0.00 0.00 176.91 179.30 1ukx h ILE 115 N 0.00 0.65 -0.52 -0.10 2.04 -1.99 -0.38 117.51 117.21 1ukx h ILE 115 Ca 0.00 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 1ukx h ILE 115 Cb 0.14 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 1ukx h ILE 115 CO 0.00 0.08 0.16 -0.26 0.00 0.00 0.00 178.15 178.13 1ukx h PHE 116 N 0.45 0.84 -0.64 1.37 0.04 -1.97 -1.86 116.94 115.16 1ukx h PHE 116 Ca 0.42 -0.09 -0.03 0.00 2.80 0.00 0.00 57.97 61.08 1ukx h PHE 116 Cb 0.65 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.53 1ukx h PHE 116 CO -0.16 0.72 0.29 1.49 -0.60 0.00 0.00 178.31 180.05 1ukx h GLU 117 N 0.71 0.91 0.07 1.51 4.22 -1.44 -1.19 114.58 119.36 1ukx h GLU 117 Ca 0.17 -0.13 -0.00 0.00 0.08 0.00 0.00 59.36 59.48 1ukx h GLU 117 Cb 0.28 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1ukx h GLU 117 CO -0.00 0.72 -0.03 -0.07 -2.18 0.00 0.00 179.01 177.44 1ukx h LEU 118 N 0.90 -0.08 -1.11 1.64 3.38 -0.58 0.50 115.31 119.96 1ukx h LEU 118 Ca 0.22 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.12 1ukx h LEU 118 Cb 0.12 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.83 1ukx h LEU 118 CO -0.03 0.10 0.60 0.00 0.09 0.00 0.00 178.44 179.21 1ukx h ALA 119 N 0.65 1.53 0.49 1.53 0.00 -1.14 -0.81 119.26 121.50 1ukx h ALA 119 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1ukx h ALA 119 Cb 0.23 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ukx h ALA 119 CO 0.02 0.31 -0.23 0.45 0.00 0.00 0.00 179.25 179.79 1ukx h HIS 120 N 1.02 -0.61 -0.52 0.00 3.86 -0.91 -3.27 115.15 114.72 1ukx h HIS 120 Ca 0.42 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.64 1ukx h HIS 120 Cb 0.29 0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.93 1ukx h HIS 120 CO -0.00 -0.35 0.32 1.25 0.86 0.00 0.00 177.93 180.00 1ukx h HIS 121 N -0.70 0.59 -0.93 2.45 6.17 -0.14 -0.97 115.15 121.63 1ukx h HIS 121 Ca -0.07 0.02 0.16 0.00 0.71 0.00 0.00 60.37 61.19 1ukx h HIS 121 Cb 0.52 -0.19 -0.10 0.00 2.52 0.00 0.00 27.41 30.16 1ukx h HIS 121 CO -0.03 0.34 0.52 0.28 0.71 0.00 0.00 177.93 179.76 1ukx h VAL 122 N 0.63 0.73 -0.05 5.26 2.07 -1.29 -1.55 116.25 122.05 1ukx h VAL 122 Ca 0.21 -0.24 -0.13 0.00 0.82 0.00 0.00 66.70 67.35 1ukx h VAL 122 Cb 0.01 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.72 1ukx h VAL 122 CO -0.09 0.13 -0.56 1.56 0.02 0.00 0.00 177.57 178.63 1ukx h GLN 123 N 0.71 0.16 -0.17 1.57 4.20 -1.23 0.14 115.11 120.49 1ukx h GLN 123 Ca 0.52 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 59.11 1ukx h GLN 123 Cb 0.74 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 1ukx h GLN 123 CO -0.37 0.68 0.06 0.77 -0.67 0.00 0.00 178.83 179.30 1ukx h SER 124 N 0.12 0.25 -0.33 1.46 0.02 -1.17 -1.02 113.55 112.87 1ukx h SER 124 Ca -0.00 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 60.73 1ukx h SER 124 Cb 1.02 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 1ukx h SER 124 CO 0.08 0.37 0.10 0.15 -1.14 0.00 0.00 176.83 176.39 1ukx h PHE 125 N 0.11 0.55 0.22 3.45 3.04 -0.92 -2.60 116.94 120.79 1ukx h PHE 125 Ca 0.06 -0.06 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 1ukx h PHE 125 Cb 0.21 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.55 1ukx h PHE 125 CO -0.00 0.55 -0.17 -0.07 -2.02 0.00 0.00 178.31 176.59 1ukx h LEU 126 N 0.39 -0.44 -0.91 0.59 3.38 -0.73 -2.81 115.31 114.77 1ukx h LEU 126 Ca 0.11 0.04 0.19 0.00 0.09 0.00 0.00 57.88 58.30 1ukx h LEU 126 Cb 0.27 0.14 -0.11 0.00 0.09 0.00 0.00 40.66 41.05 1ukx h LEU 126 CO -0.00 -0.27 0.47 -1.28 0.09 0.00 0.00 178.44 177.45 1ukx h SER 127 N -0.40 0.53 -0.54 -0.43 0.87 -1.03 0.12 113.55 112.67 1ukx h SER 127 Ca -0.01 0.12 -0.06 0.00 -1.23 0.00 0.00 61.79 60.61 1ukx h SER 127 Cb 0.36 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 1ukx h SER 127 CO -0.01 0.15 0.11 -0.33 -0.53 0.00 0.00 176.83 176.22 1ukx h GLU 128 N 0.57 0.87 0.00 2.24 5.08 -1.23 -1.98 114.58 120.13 1ukx h GLU 128 Ca 0.53 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1ukx h GLU 128 Cb 0.88 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1ukx h GLU 128 CO -0.43 0.84 0.00 0.72 -1.00 0.00 0.00 179.01 179.14 1ukx n HIS 129 N -4.40 0.00 -3.26 4.33 8.25 -0.22 -4.48 115.22 115.44 1ukx n HIS 129 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 1ukx n HIS 129 Cb 0.25 -0.38 -0.01 0.00 1.12 0.00 0.00 29.99 30.96 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 -1.38 5.55 -3.96 0.41 5.15 0.26 -4.80 115.26 116.49 1ukx n ASN 130 Ca 0.08 -3.23 -0.11 0.00 -0.60 0.00 0.00 54.58 50.72 1ukx n ASN 130 Cb 0.21 -1.24 -0.12 0.00 -0.53 0.00 0.00 39.78 38.10 1ukx n ASN 130 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1ukx s LYS 131 N -1.98 0.28 0.06 1.20 0.00 -1.26 -4.90 119.74 113.13 1ukx s LYS 131 Ca 0.31 -0.42 0.00 0.00 0.00 0.00 0.00 55.97 55.86 1ukx s LYS 131 Cb -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 37.83 37.76 1ukx s LYS 131 CO -0.01 -0.00 0.00 0.45 0.00 0.00 0.00 175.35 175.79 1ukx n SER 132 N 2.13 -0.34 0.00 0.03 2.88 -1.26 -5.09 113.62 111.97 1ukx n SER 132 Ca -0.19 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1ukx n SER 132 Cb 0.57 0.56 0.00 0.00 -0.75 0.00 0.00 64.21 64.59 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 -0.10 -1.85 3.57 0.46 0.00 -1.26 -4.99 105.19 101.01 1ukx n GLY 133 Ca 0.00 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 1ukx n GLY 133 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ukx s PRO 134 N -1.67 2.76 0.10 1.61 0.04 -1.26 -4.93 135.00 131.65 1ukx s PRO 134 Ca 0.00 -0.76 0.03 0.00 0.04 0.00 0.00 61.00 60.31 1ukx s PRO 134 Cb 0.00 -5.18 -0.04 0.00 0.04 0.00 0.00 34.50 29.32 1ukx s PRO 134 CO 0.00 -3.33 -0.09 -1.54 0.04 0.00 0.00 177.00 172.07 1ukx s SER 135 N 6.95 1.39 0.34 6.66 1.04 -1.26 -5.16 113.70 123.67 1ukx s SER 135 Ca 0.66 -0.84 -0.13 0.00 0.48 0.00 0.00 55.95 56.11 1ukx s SER 135 Cb -0.03 0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.14 1ukx s SER 135 CO 0.03 -0.30 0.66 -0.44 0.98 0.00 0.00 173.24 174.18 1ukx s SER 136 N -2.54 0.17 0.00 7.02 0.01 -1.26 -5.15 113.70 111.94 1ukx s SER 136 Ca 0.06 -1.11 0.00 0.00 1.31 0.00 0.00 55.95 56.21 1ukx s SER 136 Cb -0.02 0.75 0.00 0.00 0.21 0.00 0.00 66.02 66.97 1ukx s SER 136 CO -0.01 -1.47 0.00 0.61 0.41 0.00 0.00 173.24 172.78