#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ukx h SER 2 N 0.00 -0.17 -5.68 1.61 4.64 -2.05 -3.49 113.55 108.42 1ukx h SER 2 Ca 0.00 0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1ukx h SER 2 Cb 0.00 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1ukx h SER 2 CO 0.00 -0.09 -0.30 -0.24 -0.87 0.00 0.00 176.83 175.34 1ukx n SER 3 N -2.71 -7.15 -3.51 4.97 2.88 -1.26 -5.01 113.62 101.83 1ukx n SER 3 Ca -0.02 -0.21 -0.09 0.00 -1.33 0.00 0.00 58.87 57.21 1ukx n SER 3 Cb 0.08 -4.48 -0.03 0.00 -0.75 0.00 0.00 64.21 59.03 1ukx n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ukx s GLY 4 N -2.93 -0.44 0.00 0.46 0.00 -1.26 -5.11 107.32 98.04 1ukx s GLY 4 Ca 0.03 1.17 0.00 0.00 0.00 0.00 0.00 44.72 45.92 1ukx s GLY 4 CO 0.79 0.46 0.00 1.44 0.00 0.00 0.00 173.10 175.79 1ukx n SER 5 N -0.06 0.13 -3.99 1.64 7.64 -1.26 -5.05 113.62 112.68 1ukx n SER 5 Ca -0.09 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.52 1ukx n SER 5 Cb 0.61 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.79 1ukx n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ukx n SER 6 N -2.89 -0.86 -2.53 6.43 7.64 -1.26 -4.82 113.62 115.33 1ukx n SER 6 Ca 0.00 -1.00 -0.19 0.00 1.01 0.00 0.00 58.87 58.69 1ukx n SER 6 Cb 0.41 -3.05 -0.10 0.00 -1.01 0.00 0.00 64.21 60.46 1ukx n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ukx n GLY 7 N -1.90 3.17 2.62 0.23 0.00 -1.26 -4.37 105.19 103.69 1ukx n GLY 7 Ca -0.25 -1.14 -0.21 0.00 0.00 0.00 0.00 46.02 44.42 1ukx n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ukx s MET 8 N 1.77 0.69 -1.56 1.61 -2.45 -1.26 -4.93 119.30 113.16 1ukx s MET 8 Ca 0.59 -1.21 -0.03 0.00 -1.25 0.00 0.00 55.69 53.79 1ukx s MET 8 Cb 0.23 -0.95 0.03 0.00 1.25 0.00 0.00 34.83 35.39 1ukx s MET 8 CO -0.02 -1.24 0.17 0.39 1.05 0.00 0.00 175.02 175.36 1ukx n GLU 9 N 3.87 -1.44 -1.95 4.11 1.02 -1.26 -4.97 120.64 120.01 1ukx n GLU 9 Ca 0.15 0.16 -0.41 0.00 -0.02 0.00 0.00 57.16 57.04 1ukx n GLU 9 Cb 0.44 -3.92 -0.01 0.00 -0.02 0.00 0.00 31.44 27.92 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 -4.24 6.56 0.18 1.62 0.01 -1.26 -4.89 113.70 111.68 1ukx s SER 10 Ca 0.11 2.85 0.22 0.00 1.31 0.00 0.00 55.95 60.43 1ukx s SER 10 Cb -0.06 -2.65 -0.03 0.00 0.21 0.00 0.00 66.02 63.49 1ukx s SER 10 CO 0.98 -0.72 0.99 -1.22 0.41 0.00 0.00 173.24 173.68 1ukx n TYR 11 N 1.00 0.94 0.29 2.43 4.01 -1.26 -4.65 117.16 119.91 1ukx n TYR 11 Ca 0.02 0.28 0.15 0.00 -0.16 0.00 0.00 57.90 58.19 1ukx n TYR 11 Cb 0.40 -0.96 0.72 0.00 -0.31 0.00 0.00 39.34 39.19 1ukx n TYR 11 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1ukx h SER 12 N 0.00 0.00 0.10 7.72 4.64 -1.88 -2.83 113.55 121.31 1ukx h SER 12 Ca -0.02 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.93 1ukx h SER 12 Cb 1.07 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.11 1ukx h SER 12 CO 0.01 0.00 -2.21 0.00 -0.87 0.00 0.00 176.83 173.75 1ukx n GLN 13 N -2.59 0.69 0.05 4.77 6.02 -1.26 -1.25 117.38 123.80 1ukx n GLN 13 Ca -0.00 0.18 0.03 0.00 -0.01 0.00 0.00 57.00 57.19 1ukx n GLN 13 Cb 0.15 -1.62 0.16 0.00 1.02 0.00 0.00 30.24 29.95 1ukx n GLN 13 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ukx n ARG 14 N -3.22 0.04 0.00 -1.09 1.74 -1.10 -0.02 116.66 113.02 1ukx n ARG 14 Ca -0.36 0.53 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 1ukx n ARG 14 Cb 1.05 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.85 1ukx n ARG 14 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1ukx n GLN 15 N -1.70 0.00 0.34 5.56 6.02 -1.09 -4.62 117.38 121.89 1ukx n GLN 15 Ca -0.00 0.29 0.22 0.00 -0.01 0.00 0.00 57.00 57.50 1ukx n GLN 15 Cb 0.02 -0.77 1.20 0.00 1.02 0.00 0.00 30.24 31.71 1ukx n GLN 15 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 1ukx h ASP 16 N 0.00 0.00 0.18 1.08 3.04 -0.41 0.67 116.42 120.98 1ukx h ASP 16 Ca 0.00 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 53.75 1ukx h ASP 16 Cb 0.00 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.28 1ukx h ASP 16 CO 0.00 0.00 -0.17 -0.74 -2.04 0.00 0.00 179.24 176.29 1ukx h HIS 17 N 0.00 0.00 0.05 4.15 2.76 -0.71 -2.06 115.15 119.34 1ukx h HIS 17 Ca 0.00 0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 57.89 1ukx h HIS 17 Cb 0.01 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.00 1ukx h HIS 17 CO 0.00 0.17 -1.11 1.49 -1.30 0.00 0.00 177.93 177.18 1ukx h GLU 18 N 0.00 0.67 -0.20 5.26 4.57 -1.08 -3.25 114.58 120.55 1ukx h GLU 18 Ca -0.00 -0.78 0.06 0.00 -1.18 0.00 0.00 59.36 57.45 1ukx h GLU 18 Cb 0.30 0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 1ukx h GLU 18 CO 0.02 1.34 0.22 -0.07 -1.18 0.00 0.00 179.01 179.35 1ukx h LEU 19 N 0.33 0.00 0.26 1.64 4.07 -1.38 0.23 115.31 120.46 1ukx h LEU 19 Ca -0.15 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.80 1ukx h LEU 19 Cb 1.77 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.51 1ukx h LEU 19 CO 0.22 0.00 -0.13 1.56 -1.08 0.00 0.00 178.44 179.01 1ukx h GLN 20 N 0.00 -0.34 -0.60 1.13 4.20 -1.57 -3.31 115.11 114.63 1ukx h GLN 20 Ca 0.09 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 1ukx h GLN 20 Cb 0.54 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.36 1ukx h GLN 20 CO -0.00 -0.10 0.35 0.00 -0.67 0.00 0.00 178.83 178.41 1ukx h ALA 21 N -0.85 1.49 -0.83 3.87 0.00 -1.22 -2.05 119.26 119.67 1ukx h ALA 21 Ca -0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1ukx h ALA 21 Cb 0.40 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1ukx h ALA 21 CO 0.06 0.44 0.49 -0.07 0.00 0.00 0.00 179.25 180.17 1ukx h LEU 22 N 0.82 1.00 -0.66 0.00 3.38 -0.78 0.64 115.31 119.70 1ukx h LEU 22 Ca 0.21 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 1ukx h LEU 22 Cb -0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1ukx h LEU 22 CO -0.04 0.78 -0.38 -0.08 0.09 0.00 0.00 178.44 178.81 1ukx h GLU 23 N 1.15 0.00 0.25 1.13 4.81 -1.47 -0.92 114.58 119.52 1ukx h GLU 23 Ca 0.30 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.19 1ukx h GLU 23 Cb -0.03 0.00 0.04 0.00 0.63 0.00 0.00 28.75 29.38 1ukx h GLU 23 CO -0.05 0.38 -1.51 0.00 -0.73 0.00 0.00 179.01 177.10 1ukx h ALA 24 N 1.62 -0.13 0.00 2.92 0.00 -0.81 -2.49 119.26 120.38 1ukx h ALA 24 Ca -0.00 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.01 1ukx h ALA 24 Cb 1.03 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ukx h ALA 24 CO 0.05 0.72 -0.14 0.82 0.00 0.00 0.00 179.25 180.71 1ukx h ILE 25 N 0.13 0.00 0.39 0.00 1.08 -0.96 -3.41 117.51 114.74 1ukx h ILE 25 Ca -0.27 -0.57 -0.02 0.00 -0.39 0.00 0.00 64.86 63.62 1ukx h ILE 25 Cb 2.16 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.91 1ukx h ILE 25 CO 0.26 0.00 -0.19 1.88 -0.69 0.00 0.00 178.15 179.42 1ukx h TYR 26 N -0.57 -0.49 0.00 1.37 0.05 -1.38 -3.48 116.97 112.47 1ukx h TYR 26 Ca 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1ukx h TYR 26 Cb 0.14 0.16 0.00 0.00 1.01 0.00 0.00 36.73 38.04 1ukx h TYR 26 CO -0.06 -0.24 0.00 0.41 -1.05 0.00 0.00 178.16 177.22 1ukx n GLY 27 N 0.31 1.51 0.06 3.88 0.00 -0.94 -4.26 105.19 105.76 1ukx n GLY 27 Ca -0.07 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1ukx n GLY 27 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ukx n SER 28 N 9.44 0.40 0.09 1.61 7.64 -1.26 -1.17 113.62 130.38 1ukx n SER 28 Ca 0.00 0.56 0.03 0.00 1.01 0.00 0.00 58.87 60.47 1ukx n SER 28 Cb 0.00 -0.66 0.40 0.00 -1.01 0.00 0.00 64.21 62.94 1ukx n SER 28 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1ukx h ASP 29 N 0.00 0.29 -3.35 6.43 5.19 -1.89 -3.44 116.42 119.65 1ukx h ASP 29 Ca 0.00 -0.04 -0.58 0.00 -0.62 0.00 0.00 57.03 55.78 1ukx h ASP 29 Cb 0.48 -0.08 -0.09 0.00 0.18 0.00 0.00 39.33 39.83 1ukx h ASP 29 CO 0.00 0.37 -0.17 0.12 -3.12 0.00 0.00 179.24 176.44 1ukx s PHE 30 N -4.92 3.48 -0.06 4.55 5.36 -0.32 -1.27 117.98 124.80 1ukx s PHE 30 Ca -0.06 0.80 -0.02 0.00 -0.96 0.00 0.00 56.93 56.69 1ukx s PHE 30 Cb 0.16 -2.52 0.03 0.00 -0.34 0.00 0.00 43.02 40.35 1ukx s PHE 30 CO 0.73 0.14 0.05 -1.14 -1.46 0.00 0.00 175.22 173.54 1ukx s GLN 31 N 0.75 0.09 0.33 10.12 0.74 -0.08 -4.88 119.66 126.73 1ukx s GLN 31 Ca 0.23 0.27 -0.28 0.00 0.05 0.00 0.00 55.36 55.63 1ukx s GLN 31 Cb -0.15 -0.74 -0.10 0.00 1.10 0.00 0.00 33.01 33.13 1ukx s GLN 31 CO 0.09 -0.36 1.25 0.34 -0.55 0.00 0.00 175.29 176.07 1ukx s ASP 32 N 2.12 6.81 -0.04 6.67 2.15 -1.26 -0.72 116.67 132.41 1ukx s ASP 32 Ca 0.05 2.57 0.05 0.00 0.43 0.00 0.00 52.55 55.65 1ukx s ASP 32 Cb -0.12 -2.64 0.08 0.00 -0.30 0.00 0.00 42.92 39.93 1ukx s ASP 32 CO -0.04 -0.49 0.98 0.18 -0.17 0.00 0.00 175.17 175.62 1ukx n LEU 33 N 0.76 1.71 -4.16 -1.34 4.77 -0.64 -4.92 117.00 113.18 1ukx n LEU 33 Ca 0.00 -1.98 -0.27 0.00 -0.03 0.00 0.00 56.01 53.73 1ukx n LEU 33 Cb 0.43 -0.12 -0.16 0.00 -2.33 0.00 0.00 43.42 41.24 1ukx n LEU 33 CO 0.57 0.48 -0.51 0.00 -1.33 0.00 0.00 177.39 176.59 1ukx s ARG 34 N -1.32 1.93 0.73 3.23 1.04 -1.24 -4.78 118.95 118.53 1ukx s ARG 34 Ca 0.09 -0.67 -0.14 0.00 -1.04 0.00 0.00 55.73 53.97 1ukx s ARG 34 Cb 0.08 -1.67 0.04 0.00 -2.04 0.00 0.00 34.95 31.36 1ukx s ARG 34 CO 0.01 0.27 1.15 -1.25 -0.04 0.00 0.00 175.30 175.44 1ukx s PRO 35 N -0.01 2.28 -0.10 3.89 0.04 -1.26 -4.99 135.00 134.85 1ukx s PRO 35 Ca -0.04 1.54 -0.02 0.00 0.04 0.00 0.00 61.00 62.53 1ukx s PRO 35 Cb -0.12 -1.87 0.03 0.00 0.04 0.00 0.00 34.50 32.58 1ukx s PRO 35 CO 0.02 -1.68 0.01 0.34 0.04 0.00 0.00 177.00 175.73 1ukx s ASP 36 N -2.43 1.89 0.34 6.66 2.15 -1.26 -5.05 116.67 118.97 1ukx s ASP 36 Ca 0.69 -0.25 -0.17 0.00 0.43 0.00 0.00 52.55 53.26 1ukx s ASP 36 Cb -0.24 -0.49 0.06 0.00 -0.30 0.00 0.00 42.92 41.96 1ukx s ASP 36 CO 0.46 -0.22 0.85 0.00 -0.17 0.00 0.00 175.17 176.10 1ukx n ALA 37 N 5.12 -2.01 -1.20 3.66 0.00 -1.26 -5.03 120.51 119.79 1ukx n ALA 37 Ca -0.08 -1.21 -0.41 0.00 0.00 0.00 0.00 53.44 51.75 1ukx n ALA 37 Cb 0.49 0.90 -0.07 0.00 0.00 0.00 0.00 19.45 20.78 1ukx n ALA 37 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1ukx n ARG 38 N -0.58 1.25 -0.27 0.00 1.85 -1.26 -4.82 116.66 112.82 1ukx n ARG 38 Ca -0.07 -1.81 0.03 0.00 -1.00 0.00 0.00 57.85 55.00 1ukx n ARG 38 Cb 0.59 -3.00 -0.02 0.00 -1.05 0.00 0.00 32.46 28.98 1ukx n ARG 38 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ukx n GLY 39 N 4.83 -2.39 0.00 2.89 0.00 -1.26 -5.13 105.19 104.13 1ukx n GLY 39 Ca 0.48 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1ukx n GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ukx n ARG 40 N -2.67 0.00 -1.68 1.61 0.63 -1.26 -5.04 116.66 108.25 1ukx n ARG 40 Ca -0.01 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.48 1ukx n ARG 40 Cb 0.13 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.02 1ukx n ARG 40 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1ukx n VAL 41 N 0.00 1.17 -2.00 5.15 0.24 -1.26 -4.89 118.33 116.73 1ukx n VAL 41 Ca 0.00 -0.29 -0.43 0.00 -2.04 0.00 0.00 64.34 61.58 1ukx n VAL 41 Cb 0.00 -1.50 -0.03 0.00 -1.47 0.00 0.00 33.84 30.84 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 -0.71 3.94 0.21 7.34 3.00 -1.26 -4.93 118.95 126.54 1ukx s ARG 42 Ca 0.65 1.97 -0.17 0.00 -1.00 0.00 0.00 55.73 57.19 1ukx s ARG 42 Cb -0.63 -4.05 0.02 0.00 0.00 0.00 0.00 34.95 30.29 1ukx s ARG 42 CO 0.52 -1.14 0.53 -1.83 0.00 0.00 0.00 175.30 173.38 1ukx s GLU 43 N 4.51 1.45 0.23 5.12 -1.05 -1.26 -5.15 118.70 122.55 1ukx s GLU 43 Ca 0.75 -0.97 -0.30 0.00 -0.15 0.00 0.00 54.97 54.31 1ukx s GLU 43 Cb -0.30 0.52 -0.09 0.00 -0.44 0.00 0.00 34.13 33.81 1ukx s GLU 43 CO 0.30 -0.62 1.24 -1.25 0.95 0.00 0.00 175.26 175.89 1ukx s PRO 44 N -3.91 4.46 -1.23 -4.83 0.04 -1.26 -4.93 135.00 123.34 1ukx s PRO 44 Ca 0.12 1.99 -0.17 0.00 0.04 0.00 0.00 61.00 62.98 1ukx s PRO 44 Cb -0.01 -3.18 -0.02 0.00 0.04 0.00 0.00 34.50 31.32 1ukx s PRO 44 CO 0.01 -0.11 2.06 -0.35 0.04 0.00 0.00 177.00 178.64 1ukx n PRO 45 N 1.99 2.44 -2.17 0.56 -0.04 -1.19 -4.83 135.00 131.76 1ukx n PRO 45 Ca 0.03 -2.48 -0.39 0.00 -0.04 0.00 0.00 63.50 60.62 1ukx n PRO 45 Cb 0.43 -3.25 -0.02 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 4.06 4.13 0.14 0.54 2.12 -1.25 -4.60 118.70 123.83 1ukx s GLU 46 Ca 0.52 2.05 0.02 0.00 0.36 0.00 0.00 54.97 57.92 1ukx s GLU 46 Cb 0.12 -2.84 -0.04 0.00 0.26 0.00 0.00 34.13 31.63 1ukx s GLU 46 CO 0.01 -0.32 -0.03 0.96 -0.54 0.00 0.00 175.26 175.34 1ukx s ILE 47 N -1.27 0.66 -0.03 -3.70 -5.25 -0.51 -1.63 121.20 109.47 1ukx s ILE 47 Ca 0.54 -1.96 0.04 0.00 -0.99 0.00 0.00 60.65 58.28 1ukx s ILE 47 Cb -0.36 -1.91 -0.00 0.00 2.95 0.00 0.00 42.46 43.14 1ukx s ILE 47 CO 0.46 -0.66 -0.14 0.21 -1.79 0.00 0.00 174.94 173.02 1ukx s ASN 48 N -3.11 1.78 -0.19 4.36 2.47 0.10 -2.95 114.94 117.40 1ukx s ASN 48 Ca 0.18 -0.28 -0.01 0.00 0.42 0.00 0.00 52.86 53.17 1ukx s ASN 48 Cb 0.06 -0.38 0.05 0.00 -1.45 0.00 0.00 41.25 39.53 1ukx s ASN 48 CO -0.00 0.14 -0.02 -0.76 -3.72 0.00 0.00 177.10 172.74 1ukx s LEU 49 N -0.07 1.75 0.34 3.21 1.43 -0.39 -0.90 118.68 124.04 1ukx s LEU 49 Ca -0.00 -0.85 -0.28 0.00 -1.03 0.00 0.00 54.13 51.97 1ukx s LEU 49 Cb -0.09 -0.89 -0.10 0.00 0.03 0.00 0.00 46.19 45.15 1ukx s LEU 49 CO 0.01 -0.24 1.22 -0.69 0.23 0.00 0.00 176.35 176.88 1ukx s VAL 50 N 1.64 3.01 -0.01 -1.59 1.01 -0.39 -0.74 120.40 123.33 1ukx s VAL 50 Ca -0.02 0.98 0.00 0.00 0.00 0.00 0.00 61.98 62.94 1ukx s VAL 50 Cb -0.17 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.62 1ukx s VAL 50 CO -0.07 0.20 0.01 -0.76 0.00 0.00 0.00 175.10 174.48 1ukx s LEU 51 N -1.89 1.69 0.12 3.92 1.43 -0.23 -4.84 118.68 118.88 1ukx s LEU 51 Ca 0.50 0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.65 1ukx s LEU 51 Cb -0.36 -0.03 -0.04 0.00 0.03 0.00 0.00 46.19 45.79 1ukx s LEU 51 CO 0.46 -0.04 -0.09 -0.31 0.23 0.00 0.00 176.35 176.60 1ukx s TYR 52 N 0.36 1.14 0.29 0.29 2.02 -1.26 -2.29 117.35 117.90 1ukx s TYR 52 Ca -0.03 -0.77 -0.26 0.00 -0.37 0.00 0.00 57.07 55.64 1ukx s TYR 52 Cb -0.04 -0.60 -0.09 0.00 -0.40 0.00 0.00 41.96 40.82 1ukx s TYR 52 CO -0.01 0.02 0.91 -1.25 -1.57 0.00 0.00 175.55 173.65 1ukx s PRO 53 N -3.54 4.59 -0.09 -1.71 0.04 -1.26 -4.69 135.00 128.34 1ukx s PRO 53 Ca 0.13 1.30 -0.33 0.00 0.04 0.00 0.00 61.00 62.14 1ukx s PRO 53 Cb 0.02 -2.90 -0.11 0.00 0.04 0.00 0.00 34.50 31.55 1ukx s PRO 53 CO -0.01 0.34 1.95 0.94 0.04 0.00 0.00 177.00 180.26 1ukx n GLN 54 N 0.76 2.27 0.00 4.56 7.27 -1.26 -2.22 117.38 128.75 1ukx n GLN 54 Ca 0.01 0.81 0.00 0.00 0.07 0.00 0.00 57.00 57.89 1ukx n GLN 54 Cb 0.50 -2.77 0.00 0.00 2.41 0.00 0.00 30.24 30.38 1ukx n GLN 54 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ukx n GLY 55 N 4.67 0.64 2.85 1.69 0.00 -1.26 -4.93 105.19 108.85 1ukx n GLY 55 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 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 2.48 0.00 0.99 1.43 -0.94 -5.13 118.68 117.51 1ukx s LEU 56 Ca 0.00 -1.37 0.00 0.00 -1.03 0.00 0.00 54.13 51.73 1ukx s LEU 56 Cb 0.00 -1.03 0.00 0.00 0.03 0.00 0.00 46.19 45.19 1ukx s LEU 56 CO 0.00 -0.32 0.00 0.00 0.23 0.00 0.00 176.35 176.26 1ukx n ALA 57 N 4.75 0.00 -1.53 4.21 0.00 -1.26 -4.57 120.51 122.11 1ukx n ALA 57 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.98 1ukx n ALA 57 Cb 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.84 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 3.68 2.54 0.00 0.00 0.00 -1.26 -4.65 105.19 105.51 1ukx n GLY 58 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1ukx n GLY 58 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ukx n GLU 59 N 7.22 0.00 0.00 1.61 1.02 -1.26 -5.14 120.64 124.09 1ukx n GLU 59 Ca 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 1ukx n GLU 59 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.84 1ukx n GLU 59 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ukx n GLU 60 N 0.00 0.00 -1.23 3.49 1.02 -1.26 -5.06 120.64 117.60 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 0.00 -0.87 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 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 -0.47 -6.16 0.09 2.62 0.31 -1.26 -4.97 118.33 108.48 1ukx n VAL 61 Ca 0.00 1.20 -0.13 0.00 -0.01 0.00 0.00 64.34 65.40 1ukx n VAL 61 Cb 0.00 -3.61 -0.13 0.00 -0.91 0.00 0.00 33.84 29.19 1ukx n VAL 61 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 1ukx h TYR 62 N 1.54 0.36 -3.84 3.52 0.05 -1.96 -3.45 116.97 113.20 1ukx h TYR 62 Ca 0.00 -0.26 -0.47 0.00 0.05 0.00 0.00 58.73 58.05 1ukx h TYR 62 Cb 0.00 -0.01 -0.31 0.00 1.01 0.00 0.00 36.73 37.42 1ukx h TYR 62 CO 0.00 1.21 -0.80 0.14 -1.05 0.00 0.00 178.16 177.65 1ukx s VAL 63 N -2.67 0.98 0.21 -2.88 -7.23 -1.26 -3.26 120.40 104.29 1ukx s VAL 63 Ca -0.03 -0.47 -0.12 0.00 -1.81 0.00 0.00 61.98 59.56 1ukx s VAL 63 Cb 0.08 -0.86 -0.00 0.00 0.56 0.00 0.00 36.38 36.16 1ukx s VAL 63 CO 0.87 0.30 0.40 0.00 -0.31 0.00 0.00 175.10 176.35 1ukx s GLN 64 N 0.15 1.37 0.11 4.82 -2.07 -1.03 -4.30 119.66 118.71 1ukx s GLN 64 Ca -0.03 -1.18 -0.10 0.00 -1.82 0.00 0.00 55.36 52.23 1ukx s GLN 64 Cb -0.09 0.44 0.00 0.00 -1.09 0.00 0.00 33.01 32.26 1ukx s GLN 64 CO 0.01 -0.54 0.24 0.54 -1.32 0.00 0.00 175.29 174.21 1ukx s VAL 65 N -3.99 0.12 -0.26 3.63 0.11 -0.97 -1.91 120.40 117.13 1ukx s VAL 65 Ca 0.19 -1.16 -0.01 0.00 -2.93 0.00 0.00 61.98 58.08 1ukx s VAL 65 Cb 0.01 -1.43 0.04 0.00 -1.53 0.00 0.00 36.38 33.46 1ukx s VAL 65 CO 0.04 -0.53 -0.05 -1.61 -3.33 0.00 0.00 175.10 169.62 1ukx s GLU 66 N -3.88 2.66 -0.19 1.54 2.02 -0.13 -1.07 118.70 119.65 1ukx s GLU 66 Ca 0.07 -1.10 -0.17 0.00 0.02 0.00 0.00 54.97 53.80 1ukx s GLU 66 Cb 0.04 -3.03 -0.04 0.00 0.10 0.00 0.00 34.13 31.21 1ukx s GLU 66 CO -0.09 -0.48 0.46 -1.17 0.02 0.00 0.00 175.26 174.00 1ukx s LEU 67 N 1.28 4.16 -0.11 1.80 0.20 0.08 -1.39 118.68 124.71 1ukx s LEU 67 Ca -0.02 0.61 -0.02 0.00 0.69 0.00 0.00 54.13 55.39 1ukx s LEU 67 Cb -0.18 -2.62 -0.03 0.00 -0.43 0.00 0.00 46.19 42.94 1ukx s LEU 67 CO -0.04 -0.12 -0.05 -0.60 -0.29 0.00 0.00 176.35 175.26 1ukx s ARG 68 N 1.41 3.20 -0.02 1.98 6.06 -0.63 -1.26 118.95 129.69 1ukx s ARG 68 Ca 0.22 -0.52 -0.00 0.00 -2.50 0.00 0.00 55.73 52.93 1ukx s ARG 68 Cb -0.15 -2.76 0.03 0.00 0.06 0.00 0.00 34.95 32.13 1ukx s ARG 68 CO 0.09 0.47 0.04 0.08 -2.50 0.00 0.00 175.30 173.48 1ukx s VAL 69 N -0.28 -0.05 -0.27 7.11 1.01 -1.15 -3.15 120.40 123.61 1ukx s VAL 69 Ca 0.05 0.20 0.22 0.00 0.00 0.00 0.00 61.98 62.44 1ukx s VAL 69 Cb -0.13 -0.09 0.08 0.00 0.00 0.00 0.00 36.38 36.24 1ukx s VAL 69 CO 0.02 0.08 1.19 0.07 0.00 0.00 0.00 175.10 176.46 1ukx h LYS 70 N 7.19 0.00 -5.13 2.72 2.10 -1.86 -1.36 116.57 120.23 1ukx h LYS 70 Ca -0.44 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.22 1ukx h LYS 70 Cb 1.13 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 32.35 1ukx h LYS 70 CO 0.48 0.05 -1.42 0.00 -2.00 0.00 0.00 179.45 176.56 1ukx s PRO 72 N -0.72 1.38 0.00 0.00 0.04 -1.26 -4.59 135.00 129.85 1ukx s PRO 72 Ca -0.24 1.51 0.02 0.00 0.04 0.00 0.00 61.00 62.33 1ukx s PRO 72 Cb 0.02 -1.77 0.12 0.00 0.04 0.00 0.00 34.50 32.90 1ukx s PRO 72 CO 0.73 -2.36 0.94 -2.30 0.04 0.00 0.00 177.00 174.06 1ukx n PRO 73 N -3.92 0.03 0.00 0.56 -0.02 -1.26 -2.00 135.00 128.38 1ukx n PRO 73 Ca 0.12 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1ukx n PRO 73 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 1ukx n PRO 73 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1ukx n THR 74 N -1.35 0.07 -1.74 3.45 -2.24 -1.26 -4.62 114.28 106.60 1ukx n THR 74 Ca 0.01 -0.39 -0.40 0.00 -2.27 0.00 0.00 64.05 61.00 1ukx n THR 74 Cb 0.02 1.23 0.03 0.00 -2.10 0.00 0.00 70.33 69.50 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 -0.03 2.38 0.07 4.78 4.19 -0.85 -0.69 117.16 127.00 1ukx n TYR 75 Ca 0.00 0.45 0.05 0.00 3.31 0.00 0.00 57.90 61.71 1ukx n TYR 75 Cb 0.10 -2.40 0.23 0.00 0.49 0.00 0.00 39.34 37.76 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 -0.43 2.98 -0.30 2.98 -0.04 -1.26 -4.75 135.00 134.18 1ukx n PRO 76 Ca 0.07 -1.79 -0.03 0.00 -0.04 0.00 0.00 63.50 61.72 1ukx n PRO 76 Cb 0.42 -1.80 0.13 0.00 -0.04 0.00 0.00 33.50 32.21 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 1.06 -1.90 3.54 3.58 -1.21 -2.81 116.42 121.09 1ukx h ASP 77 Ca 0.00 -0.08 -0.57 0.00 0.42 0.00 0.00 57.03 56.80 1ukx h ASP 77 Cb 1.18 -0.27 -0.10 0.00 1.72 0.00 0.00 39.33 41.86 1ukx h ASP 77 CO 0.22 0.83 -0.59 0.54 -2.88 0.00 0.00 179.24 177.36 1ukx s VAL 78 N -5.82 2.73 0.35 2.25 0.11 -1.18 -4.74 120.40 114.10 1ukx s VAL 78 Ca -0.12 -1.89 -0.29 0.00 -2.93 0.00 0.00 61.98 56.75 1ukx s VAL 78 Cb 0.17 -2.85 -0.11 0.00 -1.53 0.00 0.00 36.38 32.06 1ukx s VAL 78 CO 0.82 -0.19 1.44 0.68 -3.33 0.00 0.00 175.10 174.51 1ukx s VAL 79 N -2.49 2.29 1.11 2.04 -7.23 -1.26 -4.26 120.40 110.59 1ukx s VAL 79 Ca 0.36 0.28 -0.14 0.00 -1.81 0.00 0.00 61.98 60.67 1ukx s VAL 79 Cb -0.01 -3.18 0.25 0.00 0.56 0.00 0.00 36.38 34.00 1ukx s VAL 79 CO 0.20 0.06 1.06 -2.16 -0.31 0.00 0.00 175.10 173.96 1ukx s PRO 80 N -1.78 -0.46 0.45 4.82 0.04 -1.26 -4.85 135.00 131.95 1ukx s PRO 80 Ca 0.53 0.49 -0.14 0.00 0.04 0.00 0.00 61.00 61.91 1ukx s PRO 80 Cb -0.44 -1.64 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 1ukx s PRO 80 CO 0.58 -3.33 0.87 -1.21 0.04 0.00 0.00 177.00 173.96 1ukx s GLU 81 N -4.87 3.90 -0.04 4.56 0.41 -1.26 -5.03 118.70 116.37 1ukx s GLU 81 Ca 0.67 0.75 0.01 0.00 -0.41 0.00 0.00 54.97 55.99 1ukx s GLU 81 Cb -0.19 -2.27 0.02 0.00 -1.78 0.00 0.00 34.13 29.91 1ukx s GLU 81 CO 0.60 -0.12 -0.06 0.42 -0.49 0.00 0.00 175.26 175.60 1ukx s ILE 82 N -2.44 0.64 -0.12 -1.63 1.01 -1.26 -4.57 121.20 112.82 1ukx s ILE 82 Ca 0.56 -0.21 -0.06 0.00 0.00 0.00 0.00 60.65 60.93 1ukx s ILE 82 Cb -0.10 -0.63 0.05 0.00 0.01 0.00 0.00 42.46 41.79 1ukx s ILE 82 CO 0.29 0.24 0.29 -0.62 0.00 0.00 0.00 174.94 175.13 1ukx s ASP 83 N 0.70 -0.32 -0.38 3.58 -1.08 -1.19 -5.03 116.67 112.95 1ukx s ASP 83 Ca -0.10 0.62 -0.11 0.00 -0.52 0.00 0.00 52.55 52.43 1ukx s ASP 83 Cb -0.13 0.50 0.03 0.00 -1.46 0.00 0.00 42.92 41.86 1ukx s ASP 83 CO 0.01 -0.17 0.23 -0.76 0.52 0.00 0.00 175.17 174.99 1ukx s LEU 84 N 1.30 4.82 0.38 -1.34 1.02 -1.26 -1.61 118.68 122.00 1ukx s LEU 84 Ca -0.09 -1.03 0.08 0.00 0.02 0.00 0.00 54.13 53.11 1ukx s LEU 84 Cb -0.10 -2.04 -0.07 0.00 0.02 0.00 0.00 46.19 44.00 1ukx s LEU 84 CO -0.10 -0.41 -0.03 -0.54 0.02 0.00 0.00 176.35 175.29 1ukx s LYS 85 N 1.56 1.91 -0.78 1.70 -0.14 -0.48 -4.70 119.74 118.80 1ukx s LYS 85 Ca 0.02 -2.04 0.00 0.00 -1.36 0.00 0.00 55.97 52.59 1ukx s LYS 85 Cb -0.19 -1.66 0.00 0.00 -1.68 0.00 0.00 37.83 34.29 1ukx s LYS 85 CO 0.07 0.02 0.00 0.09 -0.76 0.00 0.00 175.35 174.77 1ukx n ASN 86 N -0.90 -2.71 -4.55 2.83 3.02 -1.26 -0.95 115.26 110.74 1ukx n ASN 86 Ca -0.05 0.26 -0.38 0.00 -0.03 0.00 0.00 54.58 54.39 1ukx n ASN 86 Cb 0.66 -2.46 -0.03 0.00 -0.61 0.00 0.00 39.78 37.33 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 -2.17 2.04 0.31 5.41 0.00 -1.26 -4.53 121.76 121.56 1ukx s ALA 87 Ca 0.00 -0.53 -0.00 0.00 0.00 0.00 0.00 51.96 51.43 1ukx s ALA 87 Cb 0.00 -4.32 -0.04 0.00 0.00 0.00 0.00 23.12 18.76 1ukx s ALA 87 CO 0.00 -4.04 0.51 0.15 0.00 0.00 0.00 175.76 172.38 1ukx s LYS 88 N 7.31 3.51 0.00 0.00 1.02 -0.80 -3.89 119.74 126.89 1ukx s LYS 88 Ca 0.74 -0.32 0.00 0.00 0.02 0.00 0.00 55.97 56.41 1ukx s LYS 88 Cb -0.13 -2.71 0.00 0.00 -0.52 0.00 0.00 37.83 34.47 1ukx s LYS 88 CO 0.21 0.22 0.00 0.41 -0.92 0.00 0.00 175.35 175.27 1ukx n GLY 89 N -1.45 1.21 0.87 -3.33 0.00 -1.20 -2.47 105.19 98.82 1ukx n GLY 89 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 2.45 -4.51 0.99 4.77 -1.26 -4.94 117.00 114.50 1ukx n LEU 90 Ca 0.00 -1.23 -0.19 0.00 -0.03 0.00 0.00 56.01 54.57 1ukx n LEU 90 Cb 0.00 -0.49 -0.17 0.00 -2.33 0.00 0.00 43.42 40.42 1ukx n LEU 90 CO 0.00 0.43 1.78 -0.24 -1.33 0.00 0.00 177.39 178.03 1ukx n SER 91 N 0.38 -0.38 0.00 -1.43 2.88 -1.25 0.11 113.62 113.93 1ukx n SER 91 Ca 0.00 -0.89 0.00 0.00 -1.33 0.00 0.00 58.87 56.65 1ukx n SER 91 Cb 0.43 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 1ukx n SER 91 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1ukx n ASN 92 N 9.99 -3.23 0.00 -3.46 4.13 -1.26 -4.93 115.26 116.51 1ukx n ASN 92 Ca 0.60 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.86 1ukx n ASN 92 Cb 0.24 -2.56 0.00 0.00 -1.54 0.00 0.00 39.78 35.92 1ukx n ASN 92 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1ukx n GLU 93 N 0.13 0.00 0.00 3.52 1.02 0.12 -4.41 120.64 121.01 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 0.27 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.76 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 -0.28 1.62 7.64 -1.25 -1.64 113.62 119.71 1ukx n SER 94 Ca 0.00 -0.66 -0.04 0.00 1.01 0.00 0.00 58.87 59.18 1ukx n SER 94 Cb 0.00 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.28 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 1.17 -0.97 0.44 2.07 -1.78 -2.52 116.25 114.66 1ukx h VAL 95 Ca 0.00 -0.34 0.10 0.00 0.82 0.00 0.00 66.70 67.27 1ukx h VAL 95 Cb 0.00 0.07 -0.08 0.00 -1.52 0.00 0.00 31.29 29.77 1ukx h VAL 95 CO 0.00 0.18 0.61 0.78 0.02 0.00 0.00 177.57 179.16 1ukx h ASN 96 N 1.01 0.92 0.67 0.57 2.35 -1.52 -0.13 115.58 119.45 1ukx h ASN 96 Ca 0.29 0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 56.04 1ukx h ASN 96 Cb -0.07 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 38.15 1ukx h ASN 96 CO -0.08 0.53 -0.32 0.25 -1.65 0.00 0.00 177.43 176.16 1ukx h LEU 97 N 1.02 -0.76 -0.97 1.61 6.46 -1.72 -2.99 115.31 117.96 1ukx h LEU 97 Ca 0.46 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 58.21 1ukx h LEU 97 Cb 0.37 0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.46 1ukx h LEU 97 CO -0.23 -0.38 0.41 0.25 -0.62 0.00 0.00 178.44 177.86 1ukx h LEU 98 N -1.21 1.03 -0.09 2.25 5.85 -1.12 -0.97 115.31 121.05 1ukx h LEU 98 Ca -0.09 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.55 1ukx h LEU 98 Cb 0.70 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1ukx h LEU 98 CO 0.15 0.85 -0.05 0.50 -0.34 0.00 0.00 178.44 179.55 1ukx h LYS 99 N 1.14 -0.04 -0.56 1.25 3.64 -1.11 -0.27 116.57 120.61 1ukx h LYS 99 Ca 0.28 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.74 1ukx h LYS 99 Cb 0.08 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.84 1ukx h LYS 99 CO -0.04 -0.03 0.21 1.03 -2.27 0.00 0.00 179.45 178.36 1ukx h SER 100 N -0.04 0.22 -0.22 4.20 0.87 -1.22 0.09 113.55 117.45 1ukx h SER 100 Ca 0.05 0.07 -0.11 0.00 -1.23 0.00 0.00 61.79 60.58 1ukx h SER 100 Cb 0.12 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1ukx h SER 100 CO -0.12 0.14 -0.21 0.45 -0.53 0.00 0.00 176.83 176.56 1ukx h HIS 101 N 0.40 0.76 -0.35 2.24 3.86 -0.53 -2.15 115.15 119.38 1ukx h HIS 101 Ca 0.28 -0.16 -0.11 0.00 -1.16 0.00 0.00 60.37 59.22 1ukx h HIS 101 Cb 0.32 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 1ukx h HIS 101 CO -0.16 0.84 -0.20 -0.07 0.86 0.00 0.00 177.93 179.20 1ukx h LEU 102 N 0.60 0.79 -1.68 2.43 3.38 -0.60 0.41 115.31 120.64 1ukx h LEU 102 Ca 0.09 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 1ukx h LEU 102 Cb 0.69 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1ukx h LEU 102 CO 0.05 1.03 -0.19 -0.33 0.09 0.00 0.00 178.44 179.10 1ukx h GLU 103 N 0.54 0.00 0.10 1.13 5.08 -0.61 0.75 114.58 121.57 1ukx h GLU 103 Ca 0.08 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.29 1ukx h GLU 103 Cb 0.75 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.01 1ukx h GLU 103 CO 0.06 0.19 -0.66 0.93 -1.00 0.00 0.00 179.01 178.53 1ukx h GLU 104 N 0.00 0.21 -0.63 2.33 4.39 -1.36 -3.35 114.58 116.16 1ukx h GLU 104 Ca -0.00 -0.35 0.10 0.00 0.34 0.00 0.00 59.36 59.44 1ukx h GLU 104 Cb 0.38 0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 29.09 1ukx h GLU 104 CO 0.02 1.17 0.25 1.25 -1.16 0.00 0.00 179.01 180.54 1ukx h LEU 105 N -0.55 0.25 -0.66 1.33 5.85 -0.41 -1.95 115.31 119.17 1ukx h LEU 105 Ca -0.12 0.08 0.14 0.00 0.84 0.00 0.00 57.88 58.81 1ukx h LEU 105 Cb 1.47 0.05 -0.12 0.00 0.37 0.00 0.00 40.66 42.43 1ukx h LEU 105 CO 0.09 0.14 -0.12 0.00 -0.34 0.00 0.00 178.44 178.22 1ukx h ALA 106 N 1.43 0.50 -0.36 1.25 0.00 -1.02 -0.36 119.26 120.70 1ukx h ALA 106 Ca 0.32 0.24 0.04 0.00 0.00 0.00 0.00 54.91 55.51 1ukx h ALA 106 Cb 0.40 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1ukx h ALA 106 CO -0.31 -0.42 0.15 0.87 0.00 0.00 0.00 179.25 179.54 1ukx h LYS 107 N 0.03 0.30 0.00 0.00 1.57 -1.48 -0.74 116.57 116.25 1ukx h LYS 107 Ca 0.33 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.05 1ukx h LYS 107 Cb 0.52 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1ukx h LYS 107 CO -0.65 0.20 -0.18 0.87 -0.57 0.00 0.00 179.45 179.11 1ukx h LYS 108 N 0.31 0.00 0.00 3.15 1.57 -1.06 -2.02 116.57 118.52 1ukx h LYS 108 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1ukx h LYS 108 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1ukx h LYS 108 CO -0.15 0.18 -0.57 1.04 -0.57 0.00 0.00 179.45 179.39 1ukx n GLN 109 N -3.25 0.06 -2.23 3.15 1.13 -0.29 -4.99 117.38 110.95 1ukx n GLN 109 Ca 0.01 0.01 -0.39 0.00 -1.94 0.00 0.00 57.00 54.69 1ukx n GLN 109 Cb 0.47 -1.53 -0.02 0.00 0.11 0.00 0.00 30.24 29.27 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 0.76 3.62 3.74 0.00 0.00 -1.06 -5.04 105.19 107.20 1ukx n GLY 111 Ca 0.02 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 1ukx n GLY 111 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ukx s GLU 112 N 0.00 2.16 0.37 1.61 -1.05 -1.25 -4.76 118.70 115.79 1ukx s GLU 112 Ca 0.00 -2.37 -0.26 0.00 -0.15 0.00 0.00 54.97 52.19 1ukx s GLU 112 Cb 0.00 -1.53 -0.09 0.00 -0.44 0.00 0.00 34.13 32.07 1ukx s GLU 112 CO 0.00 -0.33 1.20 0.14 0.95 0.00 0.00 175.26 177.22 1ukx s VAL 113 N -2.86 3.07 0.00 1.83 -7.23 -1.26 -4.92 120.40 109.02 1ukx s VAL 113 Ca 0.09 0.95 0.00 0.00 -1.81 0.00 0.00 61.98 61.22 1ukx s VAL 113 Cb 0.03 -3.56 0.00 0.00 0.56 0.00 0.00 36.38 33.41 1ukx s VAL 113 CO 0.05 0.13 0.04 1.15 -0.31 0.00 0.00 175.10 176.17 1ukx n MET 114 N 0.33 3.39 0.04 4.82 0.00 -1.26 -4.89 117.12 119.55 1ukx n MET 114 Ca 0.03 -0.04 -0.11 0.00 0.00 0.00 0.00 57.70 57.57 1ukx n MET 114 Cb 0.45 -0.37 -0.06 0.00 0.00 0.00 0.00 33.22 33.24 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 0.06 0.91 0.00 3.17 2.04 -1.98 0.02 117.51 121.73 1ukx h ILE 115 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1ukx h ILE 115 Cb 0.03 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1ukx h ILE 115 CO 0.00 0.00 -0.08 -0.26 0.00 0.00 0.00 178.15 177.81 1ukx h PHE 116 N -0.05 0.00 -0.00 1.37 -1.00 -1.99 0.10 116.94 115.37 1ukx h PHE 116 Ca 0.02 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.67 1ukx h PHE 116 Cb 0.07 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.64 1ukx h PHE 116 CO -0.11 0.08 -0.50 1.49 -1.61 0.00 0.00 178.31 177.66 1ukx h GLU 117 N 0.00 0.34 -0.34 1.51 4.57 -1.64 -1.47 114.58 117.56 1ukx h GLU 117 Ca -0.00 -0.36 0.05 0.00 -1.18 0.00 0.00 59.36 57.87 1ukx h GLU 117 Cb 0.16 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.80 1ukx h GLU 117 CO 0.01 1.05 0.03 -0.07 -1.18 0.00 0.00 179.01 178.85 1ukx h LEU 118 N -0.23 -0.07 -0.41 1.64 3.38 -0.01 0.35 115.31 119.97 1ukx h LEU 118 Ca -0.06 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1ukx h LEU 118 Cb 1.23 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 42.03 1ukx h LEU 118 CO 0.10 0.00 0.10 0.00 0.09 0.00 0.00 178.44 178.72 1ukx h ALA 119 N 1.27 0.45 -0.27 1.53 0.00 -1.12 -1.27 119.26 119.85 1ukx h ALA 119 Ca 0.16 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1ukx h ALA 119 Cb 0.20 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1ukx h ALA 119 CO -0.24 -0.30 0.06 0.45 0.00 0.00 0.00 179.25 179.22 1ukx h HIS 120 N 0.23 0.39 -0.17 0.00 3.86 -0.05 -1.01 115.15 118.40 1ukx h HIS 120 Ca 0.19 -0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.28 1ukx h HIS 120 Cb 0.22 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.57 1ukx h HIS 120 CO -0.19 0.35 -0.31 1.25 0.86 0.00 0.00 177.93 179.89 1ukx h HIS 121 N 0.39 0.63 -0.45 2.45 6.17 0.15 0.21 115.15 124.70 1ukx h HIS 121 Ca 0.09 -0.23 0.05 0.00 0.71 0.00 0.00 60.37 61.00 1ukx h HIS 121 Cb 0.16 -0.12 -0.05 0.00 2.52 0.00 0.00 27.41 29.92 1ukx h HIS 121 CO 0.00 0.94 0.19 0.28 0.71 0.00 0.00 177.93 180.06 1ukx h VAL 122 N 0.14 0.90 -0.24 5.26 2.07 -1.10 -1.13 116.25 122.15 1ukx h VAL 122 Ca 0.01 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.44 1ukx h VAL 122 Cb 0.90 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1ukx h VAL 122 CO 0.07 0.07 0.01 1.56 0.02 0.00 0.00 177.57 179.30 1ukx h GLN 123 N 0.38 0.08 -0.43 1.57 4.20 -0.89 0.17 115.11 120.20 1ukx h GLN 123 Ca 0.20 -0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.99 1ukx h GLN 123 Cb 0.16 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 27.86 1ukx h GLN 123 CO -0.18 0.05 0.02 1.03 -0.67 0.00 0.00 178.83 179.08 1ukx h SER 124 N 0.09 -0.14 -0.39 1.46 0.87 -0.71 -1.87 113.55 112.85 1ukx h SER 124 Ca 0.11 0.10 -0.12 0.00 -1.23 0.00 0.00 61.79 60.65 1ukx h SER 124 Cb 0.14 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 1ukx h SER 124 CO -0.19 -0.04 -0.23 0.15 -0.53 0.00 0.00 176.83 176.00 1ukx h PHE 125 N 0.13 0.99 0.42 2.24 3.04 -0.72 -2.36 116.94 120.68 1ukx h PHE 125 Ca 0.21 -0.26 -0.02 0.00 3.98 0.00 0.00 57.97 61.89 1ukx h PHE 125 Cb 0.30 -0.22 -0.00 0.00 2.56 0.00 0.00 35.95 38.59 1ukx h PHE 125 CO -0.27 1.03 -0.24 -0.07 -2.02 0.00 0.00 178.31 176.74 1ukx h LEU 126 N 0.66 -0.59 -0.57 0.59 3.38 -0.14 -1.75 115.31 116.89 1ukx h LEU 126 Ca 0.08 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.19 1ukx h LEU 126 Cb 0.79 0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.63 1ukx h LEU 126 CO 0.06 -0.39 0.13 -1.28 0.09 0.00 0.00 178.44 177.06 1ukx h SER 127 N -0.62 0.04 -0.85 -0.43 0.87 -1.38 0.27 113.55 111.45 1ukx h SER 127 Ca -0.05 0.10 0.20 0.00 -1.23 0.00 0.00 61.79 60.81 1ukx h SER 127 Cb 0.50 0.13 -0.12 0.00 -0.44 0.00 0.00 62.40 62.47 1ukx h SER 127 CO 0.06 0.03 0.34 -0.08 -0.53 0.00 0.00 176.83 176.65 1ukx h GLU 128 N 0.27 0.38 0.00 2.24 4.81 -0.91 -1.70 114.58 119.67 1ukx h GLU 128 Ca 0.29 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1ukx h GLU 128 Cb 0.41 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1ukx h GLU 128 CO -0.36 0.25 -1.20 1.58 -0.73 0.00 0.00 179.01 178.55 1ukx n HIS 129 N -5.06 0.38 -0.04 0.92 -0.00 -0.71 -4.36 115.22 106.36 1ukx n HIS 129 Ca 0.19 0.11 -0.14 0.00 0.46 0.00 0.00 57.72 58.34 1ukx n HIS 129 Cb 0.58 -0.57 -0.09 0.00 -0.12 0.00 0.00 29.99 29.79 1ukx n HIS 129 CO 0.00 0.00 0.00 -0.97 0.46 0.00 0.00 176.34 175.83 1ukx h ASN 130 N 0.00 0.33 0.00 0.26 -0.00 0.40 -3.46 115.58 113.11 1ukx h ASN 130 Ca 0.00 -0.60 0.00 0.00 -0.00 0.00 0.00 56.30 55.70 1ukx h ASN 130 Cb 0.84 -0.10 0.00 0.00 -0.00 0.00 0.00 38.32 39.07 1ukx h ASN 130 CO 0.00 0.87 0.00 0.29 -0.00 0.00 0.00 177.43 178.59 1ukx n LYS 131 N -4.52 0.00 0.00 6.67 5.02 -0.88 -4.92 118.16 119.54 1ukx n LYS 131 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1ukx n LYS 131 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.44 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 0.00 -3.86 0.00 4.39 2.88 -1.26 -5.01 113.62 110.76 1ukx n SER 132 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ukx n SER 132 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 5.45 0.12 0.46 0.00 -1.26 -5.04 105.19 104.92 1ukx n GLY 133 Ca 0.00 -1.23 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 1ukx n GLY 133 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ukx h PRO 134 N 0.00 0.29 -5.16 1.61 0.13 -2.06 -3.49 132.00 123.32 1ukx h PRO 134 Ca 0.00 -0.09 0.01 0.00 -0.87 0.00 0.00 66.00 65.05 1ukx h PRO 134 Cb 0.00 -0.03 -0.11 0.00 0.13 0.00 0.00 31.00 30.99 1ukx h PRO 134 CO 0.00 0.50 -1.39 0.43 -0.23 0.00 0.00 178.00 177.31 1ukx n SER 135 N -4.75 -1.85 -0.33 1.44 7.64 -1.26 -4.92 113.62 109.60 1ukx n SER 135 Ca -0.05 1.31 0.04 0.00 1.01 0.00 0.00 58.87 61.18 1ukx n SER 135 Cb 0.21 -4.86 0.19 0.00 -1.01 0.00 0.00 64.21 58.74 1ukx n SER 135 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1ukx h SER 136 N 4.13 0.83 0.00 6.43 4.64 -2.07 -3.56 113.55 123.95 1ukx h SER 136 Ca -0.46 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1ukx h SER 136 Cb 1.05 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1ukx h SER 136 CO 0.02 0.48 0.00 0.61 -0.87 0.00 0.00 176.83 177.06