#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ukx n SER 2 N 0.00 -6.11 -4.74 1.61 7.64 -1.26 -4.92 113.62 105.84 1ukx n SER 2 Ca 0.00 -0.67 -0.36 0.00 1.01 0.00 0.00 58.87 58.85 1ukx n SER 2 Cb 0.00 -3.63 0.06 0.00 -1.01 0.00 0.00 64.21 59.63 1ukx n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ukx s SER 3 N -3.16 4.81 0.00 6.43 0.01 -1.26 -5.01 113.70 115.52 1ukx s SER 3 Ca 0.17 2.48 0.00 0.00 1.31 0.00 0.00 55.95 59.91 1ukx s SER 3 Cb -0.06 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1ukx s SER 3 CO 0.83 -1.86 0.00 0.61 0.41 0.00 0.00 173.24 173.23 1ukx n GLY 4 N 0.64 3.62 3.57 3.44 0.00 -1.26 -5.08 105.19 110.12 1ukx n GLY 4 Ca 0.14 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 1ukx n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ukx s SER 5 N 0.00 5.02 0.00 1.61 1.04 -1.26 -4.38 113.70 115.72 1ukx s SER 5 Ca 0.00 1.27 0.00 0.00 0.48 0.00 0.00 55.95 57.70 1ukx s SER 5 Cb 0.00 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.61 1ukx s SER 5 CO 0.00 -2.40 0.00 -1.54 0.98 0.00 0.00 173.24 170.28 1ukx n SER 6 N 13.59 0.00 0.00 7.02 3.41 -1.26 -5.12 113.62 131.26 1ukx n SER 6 Ca 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1ukx n SER 6 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1ukx n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ukx n GLY 7 N -0.88 -0.82 0.08 5.00 0.00 -1.26 -5.08 105.19 102.23 1ukx n GLY 7 Ca 0.00 0.79 -0.12 0.00 0.00 0.00 0.00 46.02 46.70 1ukx n GLY 7 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1ukx h MET 8 N 0.00 0.15 -5.01 1.61 1.85 -1.95 -3.40 114.93 108.18 1ukx h MET 8 Ca 0.00 -0.04 -0.67 0.00 -0.61 0.00 0.00 59.70 58.39 1ukx h MET 8 Cb 0.00 -0.02 -0.32 0.00 0.43 0.00 0.00 31.60 31.69 1ukx h MET 8 CO 0.00 0.35 -0.79 -1.83 -0.40 0.00 0.00 176.91 174.24 1ukx s GLU 9 N -5.20 3.10 0.00 0.39 -1.05 -1.26 -4.72 118.70 109.95 1ukx s GLU 9 Ca -0.14 -0.78 0.00 0.00 -0.15 0.00 0.00 54.97 53.89 1ukx s GLU 9 Cb 0.05 -2.81 0.00 0.00 -0.44 0.00 0.00 34.13 30.93 1ukx s GLU 9 CO 0.69 -0.24 0.00 0.43 0.95 0.00 0.00 175.26 177.09 1ukx n SER 10 N 4.69 0.00 0.07 0.83 7.64 -1.26 -5.02 113.62 120.56 1ukx n SER 10 Ca -0.19 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.58 1ukx n SER 10 Cb 0.50 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.69 1ukx n SER 10 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1ukx h TYR 11 N 0.00 0.51 0.00 1.43 0.05 -1.87 -3.31 116.97 113.78 1ukx h TYR 11 Ca 0.00 -0.26 -0.06 0.00 0.05 0.00 0.00 58.73 58.47 1ukx h TYR 11 Cb 0.00 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 1ukx h TYR 11 CO 0.00 1.05 -0.28 0.66 -1.05 0.00 0.00 178.16 178.54 1ukx h SER 12 N 0.21 0.00 0.42 3.88 4.64 -1.89 -0.35 113.55 120.46 1ukx h SER 12 Ca -0.05 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 1ukx h SER 12 Cb 1.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 1ukx h SER 12 CO 0.14 0.28 -0.20 1.56 -0.87 0.00 0.00 176.83 177.73 1ukx h GLN 13 N 0.00 -0.54 -0.61 4.77 1.08 -1.85 -1.25 115.11 116.71 1ukx h GLN 13 Ca -0.00 0.04 0.10 0.00 -1.45 0.00 0.00 58.65 57.33 1ukx h GLN 13 Cb 0.51 0.12 -0.07 0.00 -0.05 0.00 0.00 27.48 27.99 1ukx h GLN 13 CO 0.04 -0.26 0.22 0.00 -0.95 0.00 0.00 178.83 177.88 1ukx h ARG 14 N -0.78 0.39 0.12 1.46 3.08 -1.58 0.18 114.38 117.25 1ukx h ARG 14 Ca -0.06 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1ukx h ARG 14 Cb 0.54 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 1ukx h ARG 14 CO 0.09 0.26 -0.07 1.96 -1.07 0.00 0.00 179.97 181.14 1ukx h GLN 15 N 0.40 -0.18 -0.11 0.04 4.20 -1.07 0.11 115.11 118.50 1ukx h GLN 15 Ca 0.31 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.98 1ukx h GLN 15 Cb 0.39 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1ukx h GLN 15 CO -0.31 -0.12 -0.16 0.22 -0.67 0.00 0.00 178.83 177.79 1ukx h ASP 16 N -0.19 0.16 0.04 1.46 3.58 -0.52 -0.88 116.42 120.07 1ukx h ASP 16 Ca -0.01 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 1ukx h ASP 16 Cb 0.15 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.16 1ukx h ASP 16 CO 0.02 0.34 -0.02 0.45 -2.88 0.00 0.00 179.24 177.15 1ukx h HIS 17 N 0.16 -0.05 -0.70 0.28 3.86 -0.36 -2.17 115.15 116.17 1ukx h HIS 17 Ca 0.03 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1ukx h HIS 17 Cb 0.38 0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.83 1ukx h HIS 17 CO 0.00 0.10 0.34 1.49 0.86 0.00 0.00 177.93 180.72 1ukx h GLU 18 N -0.18 1.01 0.50 2.45 4.81 -0.41 -0.45 114.58 122.31 1ukx h GLU 18 Ca -0.01 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1ukx h GLU 18 Cb 0.16 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1ukx h GLU 18 CO 0.01 0.79 -0.35 -0.07 -0.73 0.00 0.00 179.01 178.66 1ukx h LEU 19 N 0.98 -0.91 -1.24 1.64 3.38 -1.16 0.13 115.31 118.13 1ukx h LEU 19 Ca 0.24 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.30 1ukx h LEU 19 Cb 0.11 0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1ukx h LEU 19 CO -0.03 -0.53 0.52 1.56 0.09 0.00 0.00 178.44 180.05 1ukx h GLN 20 N -0.83 0.98 -0.58 1.13 4.20 -1.22 -1.26 115.11 117.52 1ukx h GLN 20 Ca -0.05 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 1ukx h GLN 20 Cb 0.70 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 1ukx h GLN 20 CO 0.03 0.65 0.30 0.00 -0.67 0.00 0.00 178.83 179.13 1ukx h ALA 21 N 1.53 0.75 0.00 3.87 0.00 -0.64 -2.14 119.26 122.63 1ukx h ALA 21 Ca 0.30 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1ukx h ALA 21 Cb -0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1ukx h ALA 21 CO -0.08 0.29 -0.15 -0.07 0.00 0.00 0.00 179.25 179.25 1ukx h LEU 22 N 0.79 0.00 -0.23 0.00 3.38 -0.02 -2.85 115.31 116.38 1ukx h LEU 22 Ca 0.20 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 1ukx h LEU 22 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1ukx h LEU 22 CO -0.03 0.15 -0.30 -0.08 0.09 0.00 0.00 178.44 178.26 1ukx h GLU 23 N 0.00 0.00 0.11 1.13 4.81 -0.59 0.27 114.58 120.31 1ukx h GLU 23 Ca -0.00 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.93 1ukx h GLU 23 Cb 0.30 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.71 1ukx h GLU 23 CO 0.02 0.30 -1.23 0.00 -0.73 0.00 0.00 179.01 177.38 1ukx h ALA 24 N 1.70 0.02 0.00 2.92 0.00 -1.27 -3.16 119.26 119.47 1ukx h ALA 24 Ca -0.00 -0.77 -0.07 0.00 0.00 0.00 0.00 54.91 54.07 1ukx h ALA 24 Cb 1.15 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1ukx h ALA 24 CO 0.04 0.71 -0.52 0.82 0.00 0.00 0.00 179.25 180.30 1ukx h ILE 25 N 0.27 0.65 0.00 0.00 1.08 -1.38 -3.42 117.51 114.71 1ukx h ILE 25 Ca -0.18 -1.63 -0.01 0.00 -0.39 0.00 0.00 64.86 62.65 1ukx h ILE 25 Cb 1.90 1.37 -0.00 0.00 -3.07 0.00 0.00 36.82 37.02 1ukx h ILE 25 CO 0.23 0.22 -0.70 -1.22 -0.69 0.00 0.00 178.15 175.99 1ukx n TYR 26 N -4.60 0.64 0.00 1.37 4.01 0.01 -4.99 117.16 113.60 1ukx n TYR 26 Ca -0.14 0.28 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 1ukx n TYR 26 Cb 0.38 -0.70 0.00 0.00 -0.31 0.00 0.00 39.34 38.71 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 1.56 1.52 0.27 2.72 0.00 -0.75 -3.88 105.19 106.63 1ukx n GLY 27 Ca -0.10 0.31 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 0.97 0.18 1.61 0.87 -1.91 -3.03 113.55 112.24 1ukx h SER 28 Ca 0.00 -0.41 -0.04 0.00 -1.23 0.00 0.00 61.79 60.11 1ukx h SER 28 Cb 0.00 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.68 1ukx h SER 28 CO 0.00 1.20 -0.19 0.44 -0.53 0.00 0.00 176.83 177.75 1ukx h ASP 29 N 0.77 0.02 -3.32 6.23 3.32 -1.92 -3.40 116.42 118.12 1ukx h ASP 29 Ca 0.08 -0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.56 1ukx h ASP 29 Cb 0.90 -0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.39 1ukx h ASP 29 CO 0.08 0.20 0.92 0.12 -1.72 0.00 0.00 179.24 178.85 1ukx s PHE 30 N -4.63 2.88 -0.27 4.55 5.36 -1.15 -2.92 117.98 121.81 1ukx s PHE 30 Ca -0.04 0.96 -0.09 0.00 -0.96 0.00 0.00 56.93 56.80 1ukx s PHE 30 Cb 0.16 -3.94 -0.04 0.00 -0.34 0.00 0.00 43.02 38.86 1ukx s PHE 30 CO 0.70 -1.27 0.14 -0.65 -1.46 0.00 0.00 175.22 172.68 1ukx s GLN 31 N 4.06 3.78 -0.82 10.12 -0.21 0.50 -4.84 119.66 132.24 1ukx s GLN 31 Ca 0.51 -0.42 -0.21 0.00 0.02 0.00 0.00 55.36 55.26 1ukx s GLN 31 Cb -0.13 -3.52 0.09 0.00 1.00 0.00 0.00 33.01 30.45 1ukx s GLN 31 CO 0.22 -0.20 1.11 0.34 -2.12 0.00 0.00 175.29 174.64 1ukx s ASP 32 N 1.69 6.40 0.04 5.90 2.15 -1.26 -1.37 116.67 130.21 1ukx s ASP 32 Ca 0.07 -1.43 0.28 0.00 0.43 0.00 0.00 52.55 51.89 1ukx s ASP 32 Cb -0.16 -2.44 1.15 0.00 -0.30 0.00 0.00 42.92 41.17 1ukx s ASP 32 CO 0.08 -1.33 1.89 0.18 -0.17 0.00 0.00 175.17 175.82 1ukx n LEU 33 N 7.52 0.14 -4.69 -1.34 4.77 -0.96 -4.87 117.00 117.57 1ukx n LEU 33 Ca 0.13 0.51 -0.42 0.00 -0.03 0.00 0.00 56.01 56.20 1ukx n LEU 33 Cb 0.48 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 1ukx n LEU 33 CO 0.59 -0.04 1.13 -0.13 -1.33 0.00 0.00 177.39 177.62 1ukx s ARG 34 N -3.02 4.28 0.01 3.23 3.00 -1.23 -4.99 118.95 120.23 1ukx s ARG 34 Ca 0.13 2.01 -0.30 0.00 0.00 0.00 0.00 55.73 57.57 1ukx s ARG 34 Cb 0.17 -3.55 -0.05 0.00 0.00 0.00 0.00 34.95 31.52 1ukx s ARG 34 CO 0.53 -0.58 1.37 -1.25 0.00 0.00 0.00 175.30 175.37 1ukx s PRO 35 N 2.32 4.30 0.00 3.54 0.04 -1.26 -4.58 135.00 139.36 1ukx s PRO 35 Ca 0.65 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.62 1ukx s PRO 35 Cb -0.33 -3.53 0.00 0.00 0.04 0.00 0.00 34.50 30.68 1ukx s PRO 35 CO 0.27 -0.53 0.00 -3.47 0.04 0.00 0.00 177.00 173.31 1ukx n ASP 36 N 5.15 0.00 -3.32 6.66 2.03 -1.26 -4.97 116.55 120.84 1ukx n ASP 36 Ca 0.12 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.34 1ukx n ASP 36 Cb 0.44 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.77 1ukx n ASP 36 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ukx s ALA 37 N 0.00 -1.14 0.00 -1.67 0.00 -1.26 -4.75 121.76 112.94 1ukx s ALA 37 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.37 1ukx s ALA 37 Cb 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 21.18 1ukx s ALA 37 CO 0.00 -1.60 0.00 -2.13 0.00 0.00 0.00 175.76 172.03 1ukx n ARG 38 N 5.35 1.53 -0.50 0.00 0.63 -1.26 -4.96 116.66 117.46 1ukx n ARG 38 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 1ukx n ARG 38 Cb 0.49 -0.39 0.00 0.00 0.45 0.00 0.00 32.46 33.01 1ukx n ARG 38 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ukx n GLY 39 N 0.19 0.69 2.01 5.14 0.00 -1.26 -4.97 105.19 106.99 1ukx n GLY 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ukx n GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ukx n ARG 40 N 0.00 0.00 -1.87 1.61 0.00 -1.26 -4.62 116.66 110.52 1ukx n ARG 40 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.47 1ukx n ARG 40 Cb 0.62 0.00 0.03 0.00 0.00 0.00 0.00 32.46 33.11 1ukx n ARG 40 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1ukx s VAL 41 N -2.00 2.27 0.00 5.15 1.01 -1.26 -4.95 120.40 120.61 1ukx s VAL 41 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1ukx s VAL 41 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1ukx s VAL 41 CO 0.00 -0.00 0.47 -2.11 0.00 0.00 0.00 175.10 173.46 1ukx n ARG 42 N -0.91 -0.93 -1.83 2.72 1.85 -1.26 -4.86 116.66 111.44 1ukx n ARG 42 Ca 0.10 -0.47 -0.29 0.00 -1.00 0.00 0.00 57.85 56.18 1ukx n ARG 42 Cb 0.45 -0.97 0.13 0.00 -1.05 0.00 0.00 32.46 31.02 1ukx n ARG 42 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 1ukx s GLU 43 N -0.00 1.36 0.49 2.89 -1.05 -1.26 -4.81 118.70 116.32 1ukx s GLU 43 Ca 0.00 -0.03 -0.19 0.00 -0.15 0.00 0.00 54.97 54.60 1ukx s GLU 43 Cb 0.00 -1.89 -0.08 0.00 -0.44 0.00 0.00 34.13 31.71 1ukx s GLU 43 CO 0.00 -1.99 1.01 -1.25 0.95 0.00 0.00 175.26 173.98 1ukx s PRO 44 N -5.63 3.85 -1.10 -4.83 0.04 -1.26 -4.92 135.00 121.15 1ukx s PRO 44 Ca 0.66 1.22 -0.20 0.00 0.04 0.00 0.00 61.00 62.72 1ukx s PRO 44 Cb -0.09 -2.11 -0.06 0.00 0.04 0.00 0.00 34.50 32.27 1ukx s PRO 44 CO 0.51 -0.37 1.95 -0.35 0.04 0.00 0.00 177.00 178.78 1ukx n PRO 45 N -1.15 2.07 -2.08 0.56 -0.04 -1.16 -4.94 135.00 128.27 1ukx n PRO 45 Ca 0.08 -2.40 -0.42 0.00 -0.04 0.00 0.00 63.50 60.72 1ukx n PRO 45 Cb 0.53 -3.31 -0.03 0.00 -0.04 0.00 0.00 33.50 30.65 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 4.93 4.26 0.19 0.54 2.56 -1.23 -4.55 118.70 125.40 1ukx s GLU 46 Ca 0.58 2.17 -0.01 0.00 0.00 0.00 0.00 54.97 57.71 1ukx s GLU 46 Cb 0.08 -3.38 -0.04 0.00 2.00 0.00 0.00 34.13 32.79 1ukx s GLU 46 CO 0.08 -0.57 0.12 0.96 -0.56 0.00 0.00 175.26 175.28 1ukx s ILE 47 N 1.76 0.03 -0.08 -3.70 -4.36 -0.28 -2.28 121.20 112.30 1ukx s ILE 47 Ca 0.68 -1.98 -0.00 0.00 -0.26 0.00 0.00 60.65 59.08 1ukx s ILE 47 Cb -0.38 -2.42 0.02 0.00 1.25 0.00 0.00 42.46 40.94 1ukx s ILE 47 CO 0.30 -0.08 -0.04 0.21 0.24 0.00 0.00 174.94 175.57 1ukx s ASN 48 N -3.14 1.68 0.25 4.36 2.47 -0.47 -2.61 114.94 117.48 1ukx s ASN 48 Ca 0.36 -0.18 0.08 0.00 0.42 0.00 0.00 52.86 53.55 1ukx s ASN 48 Cb 0.07 -0.60 -0.04 0.00 -1.45 0.00 0.00 41.25 39.23 1ukx s ASN 48 CO 0.10 -0.13 0.07 -0.76 -3.72 0.00 0.00 177.10 172.67 1ukx s LEU 49 N 1.61 3.45 -0.04 3.21 1.43 -0.09 -0.37 118.68 127.88 1ukx s LEU 49 Ca 0.01 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 52.69 1ukx s LEU 49 Cb -0.13 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 1ukx s LEU 49 CO -0.05 -0.00 -0.18 -0.69 0.23 0.00 0.00 176.35 175.66 1ukx s VAL 50 N -2.18 1.48 0.02 -1.59 1.01 -1.15 -0.93 120.40 117.06 1ukx s VAL 50 Ca 0.32 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1ukx s VAL 50 Cb -0.07 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 1ukx s VAL 50 CO 0.22 0.42 -0.06 -0.76 0.00 0.00 0.00 175.10 174.92 1ukx s LEU 51 N -0.05 2.13 0.02 3.92 1.43 -0.29 -4.92 118.68 120.92 1ukx s LEU 51 Ca -0.02 -0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1ukx s LEU 51 Cb -0.11 -0.20 -0.02 0.00 0.03 0.00 0.00 46.19 45.90 1ukx s LEU 51 CO 0.02 -0.07 -0.01 -0.31 0.23 0.00 0.00 176.35 176.20 1ukx s TYR 52 N -0.72 0.25 0.72 0.29 1.51 -1.26 -1.52 117.35 116.61 1ukx s TYR 52 Ca -0.04 -0.52 -0.12 0.00 -1.01 0.00 0.00 57.07 55.38 1ukx s TYR 52 Cb -0.06 -0.19 0.03 0.00 -0.11 0.00 0.00 41.96 41.64 1ukx s TYR 52 CO 0.00 -0.21 1.09 -1.25 -1.11 0.00 0.00 175.55 174.07 1ukx s PRO 53 N -1.58 2.54 0.35 -1.71 0.04 -1.26 -4.77 135.00 128.62 1ukx s PRO 53 Ca -0.15 1.22 -0.25 0.00 0.04 0.00 0.00 61.00 61.86 1ukx s PRO 53 Cb -0.09 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 1ukx s PRO 53 CO -0.01 -1.43 0.97 -1.14 0.04 0.00 0.00 177.00 175.43 1ukx s GLN 54 N -4.63 4.45 0.00 4.56 0.74 -1.26 -2.20 119.66 121.32 1ukx s GLN 54 Ca 0.63 1.35 0.00 0.00 0.05 0.00 0.00 55.36 57.39 1ukx s GLN 54 Cb -0.18 -2.67 0.00 0.00 1.10 0.00 0.00 33.01 31.26 1ukx s GLN 54 CO 0.50 0.15 0.00 0.41 -0.55 0.00 0.00 175.29 175.80 1ukx n GLY 55 N 0.37 2.26 0.06 2.59 0.00 -1.26 -4.73 105.19 104.49 1ukx n GLY 55 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 1ukx n GLY 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ukx n LEU 56 N 0.00 2.91 0.00 0.99 4.32 -1.24 -5.15 117.00 118.82 1ukx n LEU 56 Ca 0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 56.01 55.92 1ukx n LEU 56 Cb 0.00 -0.42 0.00 0.00 -1.62 0.00 0.00 43.42 41.38 1ukx n LEU 56 CO 0.00 0.70 0.00 0.00 -1.22 0.00 0.00 177.39 176.87 1ukx n ALA 57 N -2.86 0.00 -1.66 -1.18 0.00 -0.93 -4.42 120.51 109.46 1ukx n ALA 57 Ca -0.22 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.82 1ukx n ALA 57 Cb 0.74 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.15 1ukx n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ukx n GLY 58 N 0.00 2.72 0.00 0.00 0.00 -1.26 -4.54 105.19 102.10 1ukx n GLY 58 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1ukx n GLY 58 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ukx n GLU 59 N 7.22 1.08 0.35 1.61 0.00 -1.26 -5.08 120.64 124.55 1ukx n GLU 59 Ca 0.49 0.00 -0.14 0.00 0.00 0.00 0.00 57.16 57.51 1ukx n GLU 59 Cb 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.79 1ukx n GLU 59 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1ukx h GLU 60 N 0.00 -0.86 0.00 5.31 5.08 -1.91 -3.49 114.58 118.71 1ukx h GLU 60 Ca 0.00 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1ukx h GLU 60 Cb 0.00 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1ukx h GLU 60 CO 0.00 -0.57 0.00 1.33 -1.00 0.00 0.00 179.01 178.77 1ukx n VAL 61 N -4.60 0.00 0.00 3.13 0.24 -1.26 -4.97 118.33 110.87 1ukx n VAL 61 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 1ukx n VAL 61 Cb 0.35 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 1ukx n VAL 61 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1ukx n TYR 62 N -1.44 0.00 -2.65 6.34 4.02 -1.26 -5.04 117.16 117.13 1ukx n TYR 62 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.53 1ukx n TYR 62 Cb 0.00 0.18 -0.05 0.00 -0.02 0.00 0.00 39.34 39.45 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 -0.48 3.95 0.15 -0.72 -7.23 -1.26 -3.86 120.40 110.95 1ukx s VAL 63 Ca 0.00 1.52 -0.24 0.00 -1.81 0.00 0.00 61.98 61.46 1ukx s VAL 63 Cb 0.00 -3.80 0.07 0.00 0.56 0.00 0.00 36.38 33.21 1ukx s VAL 63 CO 0.00 0.04 0.61 0.00 -0.31 0.00 0.00 175.10 175.43 1ukx s GLN 64 N -2.37 1.27 0.02 4.82 -2.07 -1.24 -4.31 119.66 115.77 1ukx s GLN 64 Ca 0.55 -0.42 -0.11 0.00 -1.82 0.00 0.00 55.36 53.55 1ukx s GLN 64 Cb -0.20 0.58 0.01 0.00 -1.09 0.00 0.00 33.01 32.32 1ukx s GLN 64 CO 0.25 -0.55 0.23 0.54 -1.32 0.00 0.00 175.29 174.45 1ukx s VAL 65 N -3.59 0.08 0.19 3.63 0.11 -0.58 -1.27 120.40 118.97 1ukx s VAL 65 Ca 0.00 -0.69 -0.24 0.00 -2.93 0.00 0.00 61.98 58.12 1ukx s VAL 65 Cb -0.01 -0.73 -0.08 0.00 -1.53 0.00 0.00 36.38 34.03 1ukx s VAL 65 CO -0.12 -0.38 0.78 -1.61 -3.33 0.00 0.00 175.10 170.44 1ukx s GLU 66 N -1.95 4.51 -0.24 1.54 2.02 0.09 -1.14 118.70 123.53 1ukx s GLU 66 Ca -0.10 1.11 -0.04 0.00 0.02 0.00 0.00 54.97 55.96 1ukx s GLU 66 Cb -0.04 -3.15 -0.00 0.00 0.10 0.00 0.00 34.13 31.04 1ukx s GLU 66 CO -0.00 0.52 -0.02 -1.17 0.02 0.00 0.00 175.26 174.60 1ukx s LEU 67 N -1.38 3.12 -0.13 1.80 0.20 -0.11 -2.31 118.68 119.87 1ukx s LEU 67 Ca 0.38 -0.52 -0.10 0.00 0.69 0.00 0.00 54.13 54.58 1ukx s LEU 67 Cb -0.22 -1.75 -0.05 0.00 -0.43 0.00 0.00 46.19 43.74 1ukx s LEU 67 CO 0.25 -0.07 0.20 -0.60 -0.29 0.00 0.00 176.35 175.85 1ukx s ARG 68 N 1.46 3.85 -0.03 1.98 6.06 -0.16 -0.91 118.95 131.19 1ukx s ARG 68 Ca 0.04 -0.03 0.04 0.00 -2.50 0.00 0.00 55.73 53.28 1ukx s ARG 68 Cb -0.15 -3.30 -0.01 0.00 0.06 0.00 0.00 34.95 31.56 1ukx s ARG 68 CO -0.02 0.55 -0.16 0.08 -2.50 0.00 0.00 175.30 173.25 1ukx s VAL 69 N -0.41 1.27 -0.22 7.11 1.01 -1.07 -2.67 120.40 125.42 1ukx s VAL 69 Ca 0.15 -0.65 -0.17 0.00 0.00 0.00 0.00 61.98 61.31 1ukx s VAL 69 Cb -0.13 -1.08 -0.13 0.00 0.00 0.00 0.00 36.38 35.05 1ukx s VAL 69 CO 0.04 0.37 -0.10 1.17 0.00 0.00 0.00 175.10 176.57 1ukx n LYS 70 N 2.98 0.55 -2.20 2.72 4.81 -1.25 -1.12 118.16 124.65 1ukx n LYS 70 Ca -0.17 0.42 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 1ukx n LYS 70 Cb 0.54 -1.62 0.00 0.00 0.02 0.00 0.00 35.03 33.97 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 -0.46 -0.29 0.00 0.00 0.04 -1.26 -4.17 135.00 128.85 1ukx s PRO 72 Ca 0.00 1.03 0.10 0.00 0.04 0.00 0.00 61.00 62.17 1ukx s PRO 72 Cb 0.00 -1.61 0.62 0.00 0.04 0.00 0.00 34.50 33.54 1ukx s PRO 72 CO 0.00 -3.36 1.05 -0.35 0.04 0.00 0.00 177.00 174.38 1ukx n PRO 73 N -4.68 0.34 0.00 0.56 -0.04 -1.26 -1.24 135.00 128.68 1ukx n PRO 73 Ca 0.06 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.54 1ukx n PRO 73 Cb 0.54 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.97 0.00 -1.84 0.52 -2.24 -1.26 -4.75 114.28 103.74 1ukx n THR 74 Ca 0.08 -0.46 -0.41 0.00 -2.27 0.00 0.00 64.05 60.99 1ukx n THR 74 Cb 0.04 1.07 -0.01 0.00 -2.10 0.00 0.00 70.33 69.32 1ukx n THR 74 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1ukx s TYR 75 N -0.85 2.74 -0.28 4.78 6.14 -0.37 -0.72 117.35 128.79 1ukx s TYR 75 Ca 0.05 1.00 0.13 0.00 0.64 0.00 0.00 57.07 58.88 1ukx s TYR 75 Cb 0.04 -4.00 0.79 0.00 0.42 0.00 0.00 41.96 39.21 1ukx s TYR 75 CO 0.12 -3.15 1.71 -0.35 0.64 0.00 0.00 175.55 174.52 1ukx n PRO 76 N 1.45 4.69 0.29 4.97 -0.04 -1.26 -4.80 135.00 140.29 1ukx n PRO 76 Ca 0.05 -3.04 0.17 0.00 -0.04 0.00 0.00 63.50 60.63 1ukx n PRO 76 Cb 0.39 -2.24 0.83 0.00 -0.04 0.00 0.00 33.50 32.43 1ukx n PRO 76 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1ukx h ASP 77 N 3.75 0.00 -3.97 3.54 3.58 -1.25 -3.26 116.42 118.82 1ukx h ASP 77 Ca 0.02 0.00 -0.44 0.00 0.42 0.00 0.00 57.03 57.03 1ukx h ASP 77 Cb 1.97 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 42.83 1ukx h ASP 77 CO 0.50 0.06 -0.77 0.68 -2.88 0.00 0.00 179.24 176.83 1ukx s VAL 78 N -4.00 1.43 0.31 2.25 -7.23 -1.24 -4.92 120.40 107.00 1ukx s VAL 78 Ca -0.02 -1.74 -0.29 0.00 -1.81 0.00 0.00 61.98 58.12 1ukx s VAL 78 Cb 0.12 -1.58 -0.11 0.00 0.56 0.00 0.00 36.38 35.37 1ukx s VAL 78 CO 0.53 -0.38 1.51 0.68 -0.31 0.00 0.00 175.10 177.13 1ukx s VAL 79 N -2.07 2.23 0.92 1.32 -7.23 -1.26 -4.49 120.40 109.82 1ukx s VAL 79 Ca 0.10 0.21 -0.12 0.00 -1.81 0.00 0.00 61.98 60.36 1ukx s VAL 79 Cb -0.05 -3.13 0.15 0.00 0.56 0.00 0.00 36.38 33.90 1ukx s VAL 79 CO 0.04 0.04 1.10 -2.16 -0.31 0.00 0.00 175.10 173.81 1ukx s PRO 80 N -1.08 1.03 0.43 4.82 0.04 -1.26 -4.87 135.00 134.10 1ukx s PRO 80 Ca 0.58 0.57 -0.14 0.00 0.04 0.00 0.00 61.00 62.05 1ukx s PRO 80 Cb -0.46 -1.80 -0.08 0.00 0.04 0.00 0.00 34.50 32.20 1ukx s PRO 80 CO 0.52 -2.33 0.85 -1.21 0.04 0.00 0.00 177.00 174.87 1ukx s GLU 81 N -5.05 3.92 -0.02 4.56 2.02 -1.26 -4.98 118.70 117.89 1ukx s GLU 81 Ca 0.64 0.73 0.01 0.00 0.02 0.00 0.00 54.97 56.38 1ukx s GLU 81 Cb -0.17 -2.29 0.01 0.00 0.10 0.00 0.00 34.13 31.78 1ukx s GLU 81 CO 0.56 -0.08 -0.05 0.42 0.02 0.00 0.00 175.26 176.13 1ukx s ILE 82 N -2.36 0.50 0.04 -1.63 1.01 -1.26 -3.82 121.20 113.67 1ukx s ILE 82 Ca 0.55 -0.18 0.01 0.00 0.00 0.00 0.00 60.65 61.04 1ukx s ILE 82 Cb -0.10 -0.48 -0.03 0.00 0.01 0.00 0.00 42.46 41.86 1ukx s ILE 82 CO 0.27 0.18 -0.05 -1.81 0.00 0.00 0.00 174.94 173.53 1ukx s ASP 83 N 0.43 0.60 -0.08 3.58 1.01 -1.09 -5.03 116.67 116.09 1ukx s ASP 83 Ca -0.05 -0.61 0.04 0.00 0.71 0.00 0.00 52.55 52.64 1ukx s ASP 83 Cb -0.09 0.08 -0.02 0.00 1.01 0.00 0.00 42.92 43.90 1ukx s ASP 83 CO -0.00 -0.30 -0.18 -0.76 0.21 0.00 0.00 175.17 174.14 1ukx s LEU 84 N -1.77 2.46 0.26 1.23 1.02 -1.26 -0.99 118.68 119.62 1ukx s LEU 84 Ca -0.09 -0.36 -0.02 0.00 0.02 0.00 0.00 54.13 53.67 1ukx s LEU 84 Cb -0.07 -1.50 -0.02 0.00 0.02 0.00 0.00 46.19 44.62 1ukx s LEU 84 CO -0.01 0.25 0.28 -0.54 0.02 0.00 0.00 176.35 176.34 1ukx s LYS 85 N -0.18 1.48 -1.06 1.70 -0.14 -0.98 -4.89 119.74 115.69 1ukx s LYS 85 Ca -0.02 -1.65 -0.03 0.00 -1.36 0.00 0.00 55.97 52.92 1ukx s LYS 85 Cb -0.14 0.35 0.02 0.00 -1.68 0.00 0.00 37.83 36.38 1ukx s LYS 85 CO 0.03 -0.55 0.15 0.09 -0.76 0.00 0.00 175.35 174.31 1ukx n ASN 86 N -0.71 -3.71 -4.57 2.83 3.02 -1.26 -0.73 115.26 110.13 1ukx n ASN 86 Ca 0.02 0.05 -0.35 0.00 -0.03 0.00 0.00 54.58 54.27 1ukx n ASN 86 Cb 0.64 -3.14 -0.04 0.00 -0.61 0.00 0.00 39.78 36.63 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 -2.67 2.33 0.69 5.41 0.00 -1.26 -4.24 121.76 122.02 1ukx s ALA 87 Ca 0.11 -2.08 -0.14 0.00 0.00 0.00 0.00 51.96 49.86 1ukx s ALA 87 Cb -0.06 -4.57 0.02 0.00 0.00 0.00 0.00 23.12 18.50 1ukx s ALA 87 CO 0.14 -4.18 1.10 0.15 0.00 0.00 0.00 175.76 172.98 1ukx s LYS 88 N 5.75 2.66 0.00 0.00 3.01 -0.39 -0.59 119.74 130.17 1ukx s LYS 88 Ca 0.58 1.31 0.00 0.00 -1.01 0.00 0.00 55.97 56.85 1ukx s LYS 88 Cb -0.02 -1.94 0.00 0.00 -1.01 0.00 0.00 37.83 34.86 1ukx s LYS 88 CO -0.02 -1.35 0.00 0.41 0.51 0.00 0.00 175.35 174.90 1ukx n GLY 89 N -0.77 1.09 0.23 -3.33 0.00 -1.25 -3.61 105.19 97.55 1ukx n GLY 89 Ca 0.10 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 1ukx n GLY 89 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ukx h LEU 90 N 0.00 0.70 -3.83 0.99 3.38 -1.92 -3.48 115.31 111.15 1ukx h LEU 90 Ca 0.00 -0.36 -0.53 0.00 0.09 0.00 0.00 57.88 57.08 1ukx h LEU 90 Cb 0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1ukx h LEU 90 CO 0.00 1.08 -1.00 -0.24 0.09 0.00 0.00 178.44 178.37 1ukx n SER 91 N -3.99 -4.12 0.00 -0.43 2.88 0.24 -1.42 113.62 106.78 1ukx n SER 91 Ca -0.03 -1.11 0.00 0.00 -1.33 0.00 0.00 58.87 56.40 1ukx n SER 91 Cb 0.58 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 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 -2.16 -2.06 0.00 -3.46 4.13 -1.26 -4.96 115.26 105.49 1ukx n ASN 92 Ca -0.19 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.07 1ukx n ASN 92 Cb 0.58 -1.70 0.00 0.00 -1.54 0.00 0.00 39.78 37.12 1ukx n ASN 92 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1ukx n GLU 93 N -1.48 0.00 0.00 3.52 2.13 -0.51 -4.30 120.64 120.00 1ukx n GLU 93 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ukx n GLU 93 Cb 0.12 0.00 0.02 0.00 0.27 0.00 0.00 31.44 31.85 1ukx n GLU 93 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1ukx n SER 94 N 0.00 0.00 -0.31 4.31 7.64 -1.26 -1.27 113.62 122.72 1ukx n SER 94 Ca 0.00 -0.52 -0.02 0.00 1.01 0.00 0.00 58.87 59.34 1ukx n SER 94 Cb 0.00 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.30 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 1.15 -0.81 0.44 2.07 -1.89 -2.74 116.25 114.48 1ukx h VAL 95 Ca 0.00 -0.37 0.14 0.00 0.82 0.00 0.00 66.70 67.29 1ukx h VAL 95 Cb 0.00 -0.02 -0.09 0.00 -1.52 0.00 0.00 31.29 29.66 1ukx h VAL 95 CO 0.00 0.20 0.39 0.78 0.02 0.00 0.00 177.57 178.96 1ukx h ASN 96 N 1.08 0.45 0.65 0.57 2.35 -1.37 -0.71 115.58 118.60 1ukx h ASN 96 Ca 0.33 0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 56.14 1ukx h ASN 96 Cb -0.02 0.03 0.01 0.00 0.05 0.00 0.00 38.32 38.38 1ukx h ASN 96 CO -0.10 0.19 -0.31 0.25 -1.65 0.00 0.00 177.43 175.80 1ukx h LEU 97 N 0.57 -0.74 -1.21 1.61 6.46 -1.70 -2.92 115.31 117.38 1ukx h LEU 97 Ca 0.44 -0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 58.13 1ukx h LEU 97 Cb 0.62 0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.73 1ukx h LEU 97 CO -0.37 -0.40 -0.04 0.25 -0.62 0.00 0.00 178.44 177.26 1ukx h LEU 98 N -1.10 0.46 -0.03 2.25 5.85 -1.25 -1.58 115.31 119.90 1ukx h LEU 98 Ca -0.09 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1ukx h LEU 98 Cb 0.71 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 1ukx h LEU 98 CO 0.15 0.56 0.02 0.50 -0.34 0.00 0.00 178.44 179.33 1ukx h LYS 99 N 0.47 0.04 -0.17 1.25 3.64 -1.16 0.77 116.57 121.40 1ukx h LYS 99 Ca 0.10 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1ukx h LYS 99 Cb 0.37 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1ukx h LYS 99 CO 0.02 0.05 0.12 0.77 -2.27 0.00 0.00 179.45 178.14 1ukx h SER 100 N 0.02 0.09 0.10 4.20 0.02 -1.18 -0.23 113.55 116.56 1ukx h SER 100 Ca 0.01 -0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.70 1ukx h SER 100 Cb 0.02 -0.02 0.03 0.00 0.14 0.00 0.00 62.40 62.56 1ukx h SER 100 CO -0.00 0.06 -1.07 0.45 -1.14 0.00 0.00 176.83 175.13 1ukx h HIS 101 N 0.10 0.89 -0.76 3.45 3.86 -0.59 -2.44 115.15 119.67 1ukx h HIS 101 Ca 0.08 -0.56 -0.03 0.00 -1.16 0.00 0.00 60.37 58.70 1ukx h HIS 101 Cb 0.18 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.54 1ukx h HIS 101 CO -0.00 1.40 0.35 -0.07 0.86 0.00 0.00 177.93 180.47 1ukx h LEU 102 N 0.13 0.99 -2.01 2.43 3.38 -0.47 0.36 115.31 120.11 1ukx h LEU 102 Ca -0.16 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 1ukx h LEU 102 Cb 1.77 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 42.26 1ukx h LEU 102 CO 0.21 0.84 -0.08 -0.33 0.09 0.00 0.00 178.44 179.17 1ukx h GLU 103 N 1.08 0.00 0.02 1.13 5.08 -1.01 -1.43 114.58 119.45 1ukx h GLU 103 Ca 0.26 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.36 1ukx h GLU 103 Cb 0.13 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1ukx h GLU 103 CO -0.03 0.08 -1.42 -0.85 -1.00 0.00 0.00 179.01 175.79 1ukx n GLU 104 N -3.47 0.60 -0.31 2.33 0.28 -0.72 -4.07 120.64 115.28 1ukx n GLU 104 Ca -0.02 0.52 0.10 0.00 -0.16 0.00 0.00 57.16 57.61 1ukx n GLU 104 Cb 0.22 -1.73 0.27 0.00 1.43 0.00 0.00 31.44 31.63 1ukx n GLU 104 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1ukx h LEU 105 N -0.83 0.49 -0.83 -1.84 5.85 -0.95 -0.00 115.31 117.21 1ukx h LEU 105 Ca -0.37 0.12 0.11 0.00 0.84 0.00 0.00 57.88 58.57 1ukx h LEU 105 Cb 1.43 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 42.43 1ukx h LEU 105 CO -0.17 0.14 0.46 0.00 -0.34 0.00 0.00 178.44 178.53 1ukx h ALA 106 N 1.63 1.20 -0.74 1.25 0.00 -1.41 -0.24 119.26 120.96 1ukx h ALA 106 Ca 0.52 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.46 1ukx h ALA 106 Cb 0.86 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1ukx h ALA 106 CO -0.43 0.04 0.38 0.87 0.00 0.00 0.00 179.25 180.12 1ukx h LYS 107 N 0.74 1.04 -0.40 0.00 6.56 -1.14 0.55 116.57 123.93 1ukx h LYS 107 Ca 0.42 -0.13 -0.14 0.00 -1.06 0.00 0.00 60.65 59.73 1ukx h LYS 107 Cb 0.45 -0.20 -0.01 0.00 -0.57 0.00 0.00 32.23 31.90 1ukx h LYS 107 CO -0.28 0.79 -0.29 0.87 -2.06 0.00 0.00 179.45 178.48 1ukx h LYS 108 N 1.02 0.86 0.00 3.15 1.57 -1.11 -2.81 116.57 119.26 1ukx h LYS 108 Ca 0.26 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1ukx h LYS 108 Cb 0.07 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1ukx h LYS 108 CO -0.04 1.04 -0.19 1.04 -0.57 0.00 0.00 179.45 180.73 1ukx n GLN 109 N -4.08 0.02 -1.75 3.15 1.13 -0.22 -4.87 117.38 110.76 1ukx n GLN 109 Ca -0.01 0.01 -0.42 0.00 -1.94 0.00 0.00 57.00 54.64 1ukx n GLN 109 Cb 0.49 -1.52 -0.03 0.00 0.11 0.00 0.00 30.24 29.29 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 4.07 3.76 0.58 0.00 0.00 -1.23 -5.03 105.19 107.35 1ukx n GLY 111 Ca 0.16 -0.57 -0.02 0.00 0.00 0.00 0.00 46.02 45.60 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 0.16 -1.61 1.61 0.28 -1.21 -4.84 120.64 115.03 1ukx n GLU 112 Ca 0.00 -0.38 -0.37 0.00 -0.16 0.00 0.00 57.16 56.25 1ukx n GLU 112 Cb 0.00 0.44 0.06 0.00 1.43 0.00 0.00 31.44 33.37 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 -0.09 3.83 -0.62 3.84 0.24 -1.26 -4.80 118.33 119.47 1ukx n VAL 113 Ca -0.01 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 1ukx n VAL 113 Cb 0.09 -1.16 0.00 0.00 -1.47 0.00 0.00 33.84 31.31 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 -1.15 0.00 -0.13 7.34 0.00 -1.26 -4.92 117.12 117.00 1ukx n MET 114 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.85 1ukx n MET 114 Cb 0.48 -0.12 0.28 0.00 0.00 0.00 0.00 33.22 33.85 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 0.34 1.18 -0.58 3.17 2.04 -1.99 0.09 117.51 121.75 1ukx h ILE 115 Ca 0.00 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 1ukx h ILE 115 Cb 0.17 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 1ukx h ILE 115 CO 0.00 0.20 0.32 -0.26 0.00 0.00 0.00 178.15 178.41 1ukx h PHE 116 N 0.82 0.78 0.01 1.37 -1.00 -1.99 -1.79 116.94 115.13 1ukx h PHE 116 Ca 0.21 -0.01 -0.17 0.00 2.81 0.00 0.00 57.97 60.82 1ukx h PHE 116 Cb 0.03 -0.25 0.01 0.00 3.61 0.00 0.00 35.95 39.35 1ukx h PHE 116 CO 0.00 0.54 -0.65 1.49 -1.61 0.00 0.00 178.31 178.09 1ukx h GLU 117 N 0.81 0.43 -0.25 1.51 4.22 -1.43 -2.81 114.58 117.06 1ukx h GLU 117 Ca 0.21 -0.47 0.06 0.00 0.08 0.00 0.00 59.36 59.24 1ukx h GLU 117 Cb 0.02 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.34 1ukx h GLU 117 CO -0.03 1.13 -0.12 -0.07 -2.18 0.00 0.00 179.01 177.74 1ukx h LEU 118 N -0.08 -0.39 -0.54 1.64 3.38 -0.80 0.79 115.31 119.30 1ukx h LEU 118 Ca -0.08 0.10 0.11 0.00 0.09 0.00 0.00 57.88 58.09 1ukx h LEU 118 Cb 1.36 0.22 -0.09 0.00 0.09 0.00 0.00 40.66 42.24 1ukx h LEU 118 CO 0.13 -0.15 -0.03 0.00 0.09 0.00 0.00 178.44 178.47 1ukx h ALA 119 N 1.13 0.48 -0.70 1.53 0.00 -1.42 -1.22 119.26 119.06 1ukx h ALA 119 Ca 0.13 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1ukx h ALA 119 Cb 0.28 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1ukx h ALA 119 CO -0.30 -0.40 0.31 0.45 0.00 0.00 0.00 179.25 179.30 1ukx h HIS 120 N 0.09 1.03 -0.49 0.00 3.86 -0.75 -1.35 115.15 117.54 1ukx h HIS 120 Ca 0.27 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.41 1ukx h HIS 120 Cb 0.43 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 1ukx h HIS 120 CO -0.36 0.78 0.24 1.25 0.86 0.00 0.00 177.93 180.70 1ukx h HIS 121 N 0.98 0.69 -0.50 2.45 6.17 -0.46 -1.77 115.15 122.72 1ukx h HIS 121 Ca 0.24 -0.03 0.02 0.00 0.71 0.00 0.00 60.37 61.31 1ukx h HIS 121 Cb 0.16 -0.22 -0.03 0.00 2.52 0.00 0.00 27.41 29.84 1ukx h HIS 121 CO 0.01 0.54 0.30 0.28 0.71 0.00 0.00 177.93 179.77 1ukx h VAL 122 N 0.64 1.06 -0.51 5.26 2.07 -1.00 -1.59 116.25 122.18 1ukx h VAL 122 Ca 0.17 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.52 1ukx h VAL 122 Cb 0.10 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 1ukx h VAL 122 CO -0.02 0.11 0.28 1.56 0.02 0.00 0.00 177.57 179.52 1ukx h GLN 123 N 0.60 0.53 -0.88 1.57 4.20 -0.77 0.18 115.11 120.54 1ukx h GLN 123 Ca 0.20 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.88 1ukx h GLN 123 Cb 0.01 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.63 1ukx h GLN 123 CO -0.09 0.35 0.57 0.77 -0.67 0.00 0.00 178.83 179.77 1ukx h SER 124 N 0.55 1.02 -0.32 1.46 0.02 -1.07 -1.49 113.55 113.72 1ukx h SER 124 Ca 0.22 -0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 61.00 1ukx h SER 124 Cb 0.09 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1ukx h SER 124 CO -0.13 0.75 -0.31 0.15 -1.14 0.00 0.00 176.83 176.15 1ukx h PHE 125 N 1.20 0.92 0.47 3.45 3.04 -0.75 -2.86 116.94 122.41 1ukx h PHE 125 Ca 0.32 -0.28 -0.02 0.00 3.98 0.00 0.00 57.97 61.97 1ukx h PHE 125 Cb -0.12 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.20 1ukx h PHE 125 CO -0.01 1.04 -0.22 -0.07 -2.02 0.00 0.00 178.31 177.03 1ukx h LEU 126 N 0.54 -0.53 -1.84 0.59 3.38 -0.20 -1.86 115.31 115.38 1ukx h LEU 126 Ca 0.05 -0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.17 1ukx h LEU 126 Cb 0.89 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 1ukx h LEU 126 CO 0.08 -0.35 0.43 0.28 0.09 0.00 0.00 178.44 178.96 1ukx h SER 127 N -0.66 0.15 0.31 -0.43 0.02 -1.37 0.11 113.55 111.67 1ukx h SER 127 Ca -0.06 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1ukx h SER 127 Cb 0.50 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 1ukx h SER 127 CO 0.11 0.08 -0.30 -0.08 -1.14 0.00 0.00 176.83 175.50 1ukx h GLU 128 N 0.16 -0.61 0.00 3.45 4.22 -1.10 -0.37 114.58 120.33 1ukx h GLU 128 Ca 0.29 0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.76 1ukx h GLU 128 Cb 0.94 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 1ukx h GLU 128 CO -0.04 -0.41 -0.10 0.45 -2.18 0.00 0.00 179.01 176.73 1ukx h HIS 129 N -0.63 0.00 0.00 0.92 3.86 -0.98 -3.17 115.15 115.15 1ukx h HIS 129 Ca -0.02 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.11 1ukx h HIS 129 Cb 0.57 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 1ukx h HIS 129 CO -0.18 0.10 -0.38 -0.97 0.86 0.00 0.00 177.93 177.36 1ukx h ASN 130 N 0.00 0.00 -2.62 2.45 -0.00 -0.59 -3.40 115.58 111.42 1ukx h ASN 130 Ca -0.00 0.00 -0.55 0.00 -0.00 0.00 0.00 56.30 55.75 1ukx h ASN 130 Cb 0.86 0.00 -0.04 0.00 -0.00 0.00 0.00 38.32 39.13 1ukx h ASN 130 CO 0.01 0.38 1.22 -0.54 -0.00 0.00 0.00 177.43 178.51 1ukx s LYS 131 N -3.09 3.18 0.56 6.67 1.02 -0.17 -4.99 119.74 122.92 1ukx s LYS 131 Ca 0.04 0.90 0.04 0.00 0.02 0.00 0.00 55.97 56.98 1ukx s LYS 131 Cb 0.07 -4.20 0.04 0.00 -0.52 0.00 0.00 37.83 33.22 1ukx s LYS 131 CO 0.72 -2.06 0.35 -1.12 -0.92 0.00 0.00 175.35 172.32 1ukx s SER 132 N 5.89 4.54 0.00 2.83 0.01 -1.26 -4.96 113.70 120.75 1ukx s SER 132 Ca 0.67 -1.36 0.00 0.00 1.31 0.00 0.00 55.95 56.57 1ukx s SER 132 Cb -0.16 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.65 1ukx s SER 132 CO 0.28 -1.14 0.00 0.61 0.41 0.00 0.00 173.24 173.40 1ukx n GLY 133 N -1.74 3.44 3.57 3.44 0.00 -1.26 -5.13 105.19 107.52 1ukx n GLY 133 Ca -0.05 -1.76 -0.28 0.00 0.00 0.00 0.00 46.02 43.93 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 4.14 -0.35 0.16 1.61 0.04 -1.26 -5.01 135.00 134.33 1ukx s PRO 134 Ca 0.00 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.73 1ukx s PRO 134 Cb 0.00 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.91 1ukx s PRO 134 CO 0.00 -3.30 0.00 0.43 0.04 0.00 0.00 177.00 174.17 1ukx n SER 135 N -4.60 -0.23 0.01 6.66 7.64 -1.26 -4.84 113.62 117.00 1ukx n SER 135 Ca 0.04 0.28 0.04 0.00 1.01 0.00 0.00 58.87 60.24 1ukx n SER 135 Cb 0.56 0.35 0.19 0.00 -1.01 0.00 0.00 64.21 64.30 1ukx n SER 135 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ukx n SER 136 N -3.03 0.04 0.00 6.43 3.41 -1.26 -5.35 113.62 113.87 1ukx n SER 136 Ca 0.00 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 1ukx n SER 136 Cb 0.00 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 1ukx n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49