#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ukx s SER 2 N 0.00 1.34 -0.14 1.61 1.04 -1.26 -4.99 113.70 111.30 1ukx s SER 2 Ca 0.00 -0.76 -0.04 0.00 0.48 0.00 0.00 55.95 55.63 1ukx s SER 2 Cb 0.00 0.02 0.07 0.00 0.10 0.00 0.00 66.02 66.21 1ukx s SER 2 CO 0.00 -0.25 0.21 -0.44 0.98 0.00 0.00 173.24 173.74 1ukx s SER 3 N -2.28 0.86 0.00 7.02 0.01 -1.26 -5.04 113.70 113.01 1ukx s SER 3 Ca 0.03 0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.49 1ukx s SER 3 Cb -0.04 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.63 1ukx s SER 3 CO -0.00 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.98 1ukx n GLY 4 N 5.33 2.02 3.67 3.44 0.00 -1.26 -5.03 105.19 113.36 1ukx n GLY 4 Ca -0.05 -0.98 -0.44 0.00 0.00 0.00 0.00 46.02 44.55 1ukx n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ukx n SER 5 N 0.00 3.99 -4.53 1.61 7.64 -1.26 -5.00 113.62 116.06 1ukx n SER 5 Ca 0.00 0.93 -0.29 0.00 1.01 0.00 0.00 58.87 60.53 1ukx n SER 5 Cb 0.00 -1.50 -0.09 0.00 -1.01 0.00 0.00 64.21 61.62 1ukx n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ukx s SER 6 N 4.07 3.50 0.00 6.43 0.01 -1.26 -5.14 113.70 121.32 1ukx s SER 6 Ca 0.89 -1.56 0.00 0.00 1.31 0.00 0.00 55.95 56.59 1ukx s SER 6 Cb -0.50 0.23 0.00 0.00 0.21 0.00 0.00 66.02 65.96 1ukx s SER 6 CO 0.43 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.94 1ukx n GLY 7 N -1.03 0.01 3.24 3.44 0.00 -1.26 -5.12 105.19 104.46 1ukx n GLY 7 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.85 0.67 0.24 1.61 -2.45 -1.26 -5.07 119.30 112.18 1ukx s MET 8 Ca 0.00 -0.19 0.00 0.00 -1.25 0.00 0.00 55.69 54.25 1ukx s MET 8 Cb 0.00 0.30 0.00 0.00 1.25 0.00 0.00 34.83 36.38 1ukx s MET 8 CO 0.00 -0.18 0.00 -1.91 1.05 0.00 0.00 175.02 173.98 1ukx n GLU 9 N 1.28 -3.10 0.24 4.11 0.00 -1.26 -5.10 120.64 116.80 1ukx n GLU 9 Ca -0.22 2.24 0.00 0.00 0.00 0.00 0.00 57.16 59.18 1ukx n GLU 9 Cb 0.56 -2.47 0.00 0.00 0.00 0.00 0.00 31.44 29.53 1ukx n GLU 9 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1ukx n SER 10 N 0.03 -4.13 0.00 4.31 7.64 -1.26 -5.03 113.62 115.18 1ukx n SER 10 Ca 0.00 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.78 1ukx n SER 10 Cb 0.00 3.83 0.00 0.00 -1.01 0.00 0.00 64.21 67.03 1ukx n SER 10 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1ukx n TYR 11 N -3.46 0.00 0.21 1.43 4.01 -1.26 -4.60 117.16 113.48 1ukx n TYR 11 Ca 0.00 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.92 1ukx n TYR 11 Cb 0.00 0.00 0.77 0.00 -0.31 0.00 0.00 39.34 39.80 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 0.39 7.72 4.64 -1.87 0.33 113.55 124.75 1ukx h SER 12 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1ukx h SER 12 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1ukx h SER 12 CO 0.00 0.00 -0.29 1.56 -0.87 0.00 0.00 176.83 177.23 1ukx h GLN 13 N 0.00 -0.62 -0.93 4.77 4.20 -1.99 -1.06 115.11 119.48 1ukx h GLN 13 Ca 0.10 0.04 0.23 0.00 0.06 0.00 0.00 58.65 59.08 1ukx h GLN 13 Cb 0.91 0.14 -0.06 0.00 0.30 0.00 0.00 27.48 28.76 1ukx h GLN 13 CO -0.00 -0.42 0.62 0.00 -0.67 0.00 0.00 178.83 178.36 1ukx h ARG 14 N -0.65 0.31 -0.01 1.46 3.08 -1.33 0.82 114.38 118.07 1ukx h ARG 14 Ca -0.05 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1ukx h ARG 14 Cb 0.54 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1ukx h ARG 14 CO 0.02 0.21 -0.03 1.96 -1.07 0.00 0.00 179.97 181.06 1ukx h GLN 15 N 0.32 0.03 -0.62 0.04 4.20 -1.32 -2.07 115.11 115.69 1ukx h GLN 15 Ca 0.48 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 59.12 1ukx h GLN 15 Cb 1.34 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.10 1ukx h GLN 15 CO -0.16 0.70 0.18 0.22 -0.67 0.00 0.00 178.83 179.10 1ukx h ASP 16 N -0.63 0.88 -0.68 1.46 1.82 -0.67 -1.90 116.42 116.70 1ukx h ASP 16 Ca -0.00 -0.15 0.03 0.00 -0.39 0.00 0.00 57.03 56.52 1ukx h ASP 16 Cb 0.70 -0.23 -0.04 0.00 0.68 0.00 0.00 39.33 40.45 1ukx h ASP 16 CO 0.01 0.83 0.45 -0.74 -1.61 0.00 0.00 179.24 178.17 1ukx h HIS 17 N 0.91 0.79 0.11 0.28 2.76 -0.87 -2.52 115.15 116.61 1ukx h HIS 17 Ca 0.20 0.02 -0.27 0.00 -2.20 0.00 0.00 60.37 58.12 1ukx h HIS 17 Cb 0.28 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 28.97 1ukx h HIS 17 CO 0.02 0.47 -1.21 1.49 -1.30 0.00 0.00 177.93 177.40 1ukx h GLU 18 N 0.83 0.28 0.04 5.26 4.57 -0.62 -2.22 114.58 122.71 1ukx h GLU 18 Ca 0.27 -0.45 0.01 0.00 -1.18 0.00 0.00 59.36 58.00 1ukx h GLU 18 Cb 0.05 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1ukx h GLU 18 CO -0.07 1.20 -0.06 -0.07 -1.18 0.00 0.00 179.01 178.83 1ukx h LEU 19 N 0.09 -0.16 -1.42 1.64 3.38 -1.25 0.30 115.31 117.89 1ukx h LEU 19 Ca -0.13 0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.90 1ukx h LEU 19 Cb 1.93 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.70 1ukx h LEU 19 CO 0.20 -0.09 0.42 1.56 0.09 0.00 0.00 178.44 180.62 1ukx h GLN 20 N -0.12 0.73 -0.09 1.13 4.20 -1.39 -1.11 115.11 118.46 1ukx h GLN 20 Ca 0.01 -0.04 -0.22 0.00 0.06 0.00 0.00 58.65 58.45 1ukx h GLN 20 Cb 0.13 -0.17 0.01 0.00 0.30 0.00 0.00 27.48 27.75 1ukx h GLN 20 CO -0.03 0.48 -0.83 0.00 -0.67 0.00 0.00 178.83 177.78 1ukx h ALA 21 N 1.63 0.35 0.00 3.87 0.00 -0.96 -3.19 119.26 120.97 1ukx h ALA 21 Ca 0.25 -0.63 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1ukx h ALA 21 Cb 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1ukx h ALA 21 CO -0.07 0.72 -0.17 -0.07 0.00 0.00 0.00 179.25 179.66 1ukx h LEU 22 N 0.42 0.00 -0.98 0.00 3.38 0.42 -2.01 115.31 116.54 1ukx h LEU 22 Ca -0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1ukx h LEU 22 Cb 1.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.20 1ukx h LEU 22 CO 0.16 0.17 -0.12 -0.08 0.09 0.00 0.00 178.44 178.66 1ukx h GLU 23 N 0.00 0.00 0.05 1.13 4.81 -1.22 0.14 114.58 119.49 1ukx h GLU 23 Ca -0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 1ukx h GLU 23 Cb 0.37 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 1ukx h GLU 23 CO 0.02 0.12 -0.60 0.00 -0.73 0.00 0.00 179.01 177.82 1ukx h ALA 24 N 1.88 0.05 0.31 2.92 0.00 -1.44 -3.06 119.26 119.93 1ukx h ALA 24 Ca -0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 1ukx h ALA 24 Cb 0.74 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1ukx h ALA 24 CO 0.02 0.33 -0.15 0.82 0.00 0.00 0.00 179.25 180.26 1ukx h ILE 25 N -0.77 0.43 0.00 0.00 1.08 -1.30 -3.40 117.51 113.56 1ukx h ILE 25 Ca -0.14 -0.79 -0.17 0.00 -0.39 0.00 0.00 64.86 63.37 1ukx h ILE 25 Cb 1.30 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 35.73 1ukx h ILE 25 CO 0.00 0.10 -1.19 -1.22 -0.69 0.00 0.00 178.15 175.16 1ukx n TYR 26 N -5.07 0.77 0.00 1.37 4.02 0.43 -5.03 117.16 113.66 1ukx n TYR 26 Ca -0.08 0.33 0.00 0.00 -0.01 0.00 0.00 57.90 58.15 1ukx n TYR 26 Cb 0.25 -0.94 0.00 0.00 -0.02 0.00 0.00 39.34 38.63 1ukx n TYR 26 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ukx n GLY 27 N 1.47 2.30 0.41 2.72 0.00 -0.89 -3.92 105.19 107.28 1ukx n GLY 27 Ca -0.26 -0.09 0.23 0.00 0.00 0.00 0.00 46.02 45.90 1ukx n GLY 27 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ukx h SER 28 N 0.00 0.00 1.22 1.61 0.02 -1.92 0.47 113.55 114.94 1ukx h SER 28 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ukx h SER 28 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1ukx h SER 28 CO 0.00 0.00 -0.02 0.44 -1.14 0.00 0.00 176.83 176.11 1ukx h ASP 29 N 0.00 0.00 -3.59 3.07 5.19 -1.91 -3.41 116.42 115.78 1ukx h ASP 29 Ca 0.31 0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 56.10 1ukx h ASP 29 Cb 1.28 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 40.67 1ukx h ASP 29 CO -0.00 0.02 0.39 0.12 -3.12 0.00 0.00 179.24 176.64 1ukx s PHE 30 N -3.57 3.04 -0.18 4.55 5.36 0.15 -1.20 117.98 126.13 1ukx s PHE 30 Ca 0.02 0.35 -0.03 0.00 -0.96 0.00 0.00 56.93 56.32 1ukx s PHE 30 Cb 0.08 -3.58 -0.01 0.00 -0.34 0.00 0.00 43.02 39.16 1ukx s PHE 30 CO 0.58 -0.89 -0.07 -1.14 -1.46 0.00 0.00 175.22 172.24 1ukx s GLN 31 N 3.26 3.45 0.69 10.12 0.74 -0.13 -4.88 119.66 132.92 1ukx s GLN 31 Ca 0.31 -0.61 -0.15 0.00 0.05 0.00 0.00 55.36 54.95 1ukx s GLN 31 Cb -0.12 -2.88 0.02 0.00 1.10 0.00 0.00 33.01 31.12 1ukx s GLN 31 CO 0.21 0.03 1.18 0.16 -0.55 0.00 0.00 175.29 176.31 1ukx s ASP 32 N 0.89 4.56 0.00 6.67 1.47 -1.26 -1.34 116.67 127.66 1ukx s ASP 32 Ca -0.01 2.26 0.00 0.00 1.18 0.00 0.00 52.55 55.97 1ukx s ASP 32 Cb -0.15 -2.58 0.00 0.00 -0.34 0.00 0.00 42.92 39.85 1ukx s ASP 32 CO 0.01 -2.01 0.16 0.18 0.68 0.00 0.00 175.17 174.19 1ukx n LEU 33 N -2.51 0.32 -4.51 2.11 4.77 -1.11 -4.78 117.00 111.29 1ukx n LEU 33 Ca 0.13 -0.44 -0.42 0.00 -0.03 0.00 0.00 56.01 55.24 1ukx n LEU 33 Cb 0.51 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 1ukx n LEU 33 CO 0.47 0.08 0.86 -0.13 -1.33 0.00 0.00 177.39 177.34 1ukx s ARG 34 N -0.25 3.24 0.00 3.23 1.81 -1.23 -4.94 118.95 120.82 1ukx s ARG 34 Ca 0.00 -0.42 -0.30 0.00 -1.72 0.00 0.00 55.73 53.29 1ukx s ARG 34 Cb 0.00 -4.14 -0.06 0.00 -0.45 0.00 0.00 34.95 30.30 1ukx s ARG 34 CO 0.00 -1.75 1.52 -1.25 -0.68 0.00 0.00 175.30 173.14 1ukx s PRO 35 N 4.42 4.24 -0.27 3.54 0.04 -1.26 -4.84 135.00 140.87 1ukx s PRO 35 Ca 0.29 2.10 -0.39 0.00 0.04 0.00 0.00 61.00 63.04 1ukx s PRO 35 Cb -0.13 -3.66 -0.15 0.00 0.04 0.00 0.00 34.50 30.60 1ukx s PRO 35 CO 0.16 -0.68 1.80 -0.40 0.04 0.00 0.00 177.00 177.92 1ukx n ASP 36 N 5.81 2.47 0.10 6.66 5.68 -1.26 -4.77 116.55 131.24 1ukx n ASP 36 Ca 0.15 1.02 0.00 0.00 -0.50 0.00 0.00 54.79 55.45 1ukx n ASP 36 Cb 0.43 -1.17 0.00 0.00 -1.14 0.00 0.00 41.12 39.24 1ukx n ASP 36 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ukx n ALA 37 N 5.87 2.99 -1.18 2.12 0.00 -1.26 -5.17 120.51 123.88 1ukx n ALA 37 Ca 0.28 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.86 1ukx n ALA 37 Cb 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.55 1ukx n ALA 37 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1ukx n ARG 38 N -3.19 -2.32 0.00 0.00 0.63 -1.26 -4.80 116.66 105.72 1ukx n ARG 38 Ca 0.00 1.66 0.00 0.00 -0.92 0.00 0.00 57.85 58.59 1ukx n ARG 38 Cb 0.00 -2.87 0.00 0.00 0.45 0.00 0.00 32.46 30.04 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 -3.59 1.38 3.60 5.14 0.00 -1.26 -4.92 105.19 105.53 1ukx n GLY 39 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1ukx n GLY 39 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ukx s ARG 40 N 0.00 -0.03 0.52 1.61 3.52 -1.26 -4.96 118.95 118.35 1ukx s ARG 40 Ca 0.00 0.71 -0.20 0.00 -0.13 0.00 0.00 55.73 56.11 1ukx s ARG 40 Cb 0.00 -1.67 -0.09 0.00 -1.56 0.00 0.00 34.95 31.63 1ukx s ARG 40 CO 0.00 -3.09 0.64 1.33 -0.81 0.00 0.00 175.30 173.37 1ukx n VAL 41 N -4.46 2.35 -1.68 7.11 0.24 -1.26 -4.83 118.33 115.81 1ukx n VAL 41 Ca 0.05 -0.50 -0.45 0.00 -2.04 0.00 0.00 64.34 61.39 1ukx n VAL 41 Cb 0.56 -0.77 -0.04 0.00 -1.47 0.00 0.00 33.84 32.12 1ukx n VAL 41 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1ukx n ARG 42 N -0.01 2.21 -4.09 7.34 0.63 -1.26 -4.98 116.66 116.49 1ukx n ARG 42 Ca 0.12 0.79 -0.14 0.00 -0.92 0.00 0.00 57.85 57.70 1ukx n ARG 42 Cb 0.45 -2.56 -0.12 0.00 0.45 0.00 0.00 32.46 30.68 1ukx n ARG 42 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1ukx s GLU 43 N 0.69 0.50 0.37 -0.14 2.02 -1.26 -5.14 118.70 115.73 1ukx s GLU 43 Ca 0.76 -0.58 -0.26 0.00 0.02 0.00 0.00 54.97 54.91 1ukx s GLU 43 Cb -0.65 -0.34 -0.09 0.00 0.10 0.00 0.00 34.13 33.15 1ukx s GLU 43 CO 0.39 0.07 1.14 -1.25 0.02 0.00 0.00 175.26 175.63 1ukx s PRO 44 N -1.13 4.23 -0.95 0.39 0.04 -1.26 -4.94 135.00 131.38 1ukx s PRO 44 Ca -0.06 1.78 -0.24 0.00 0.04 0.00 0.00 61.00 62.52 1ukx s PRO 44 Cb -0.08 -2.79 0.02 0.00 0.04 0.00 0.00 34.50 31.70 1ukx s PRO 44 CO 0.00 -0.15 1.56 -1.25 0.04 0.00 0.00 177.00 177.20 1ukx s PRO 45 N -2.11 3.29 0.17 0.56 0.04 -1.00 -4.94 135.00 131.00 1ukx s PRO 45 Ca 0.54 -0.80 -0.30 0.00 0.04 0.00 0.00 61.00 60.48 1ukx s PRO 45 Cb -0.30 -5.15 -0.08 0.00 0.04 0.00 0.00 34.50 29.01 1ukx s PRO 45 CO 0.38 -2.49 1.13 -2.00 0.04 0.00 0.00 177.00 174.06 1ukx s GLU 46 N 5.58 4.55 0.19 4.56 2.12 -1.25 -4.30 118.70 130.16 1ukx s GLU 46 Ca 0.51 1.76 -0.04 0.00 0.36 0.00 0.00 54.97 57.56 1ukx s GLU 46 Cb -0.03 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 31.06 1ukx s GLU 46 CO -0.05 0.01 0.19 0.96 -0.54 0.00 0.00 175.26 175.83 1ukx s ILE 47 N -0.10 0.03 -0.18 -3.70 -4.36 -0.30 -2.76 121.20 109.84 1ukx s ILE 47 Ca 0.51 -1.82 -0.01 0.00 -0.26 0.00 0.00 60.65 59.07 1ukx s ILE 47 Cb -0.30 -2.29 0.05 0.00 1.25 0.00 0.00 42.46 41.17 1ukx s ILE 47 CO 0.35 -0.13 -0.02 0.21 0.24 0.00 0.00 174.94 175.59 1ukx s ASN 48 N -3.09 2.90 -0.19 4.36 2.47 -0.45 -2.65 114.94 118.29 1ukx s ASN 48 Ca 0.31 -0.73 -0.09 0.00 0.42 0.00 0.00 52.86 52.76 1ukx s ASN 48 Cb 0.05 -0.83 -0.05 0.00 -1.45 0.00 0.00 41.25 38.98 1ukx s ASN 48 CO 0.08 -0.22 0.13 -0.76 -3.72 0.00 0.00 177.10 172.61 1ukx s LEU 49 N 1.69 4.23 0.12 3.21 1.43 -0.22 -0.95 118.68 128.18 1ukx s LEU 49 Ca -0.00 0.26 -0.25 0.00 -1.03 0.00 0.00 54.13 53.11 1ukx s LEU 49 Cb -0.16 -2.08 -0.07 0.00 0.03 0.00 0.00 46.19 43.91 1ukx s LEU 49 CO -0.07 0.22 0.75 -0.69 0.23 0.00 0.00 176.35 176.79 1ukx s VAL 50 N 0.14 4.52 -0.00 -1.59 1.01 -0.34 -0.51 120.40 123.63 1ukx s VAL 50 Ca 0.09 1.64 0.01 0.00 0.00 0.00 0.00 61.98 63.72 1ukx s VAL 50 Cb -0.11 -4.11 -0.00 0.00 0.00 0.00 0.00 36.38 32.15 1ukx s VAL 50 CO -0.01 0.47 -0.03 -0.76 0.00 0.00 0.00 175.10 174.77 1ukx s LEU 51 N -0.78 2.02 0.28 3.92 1.43 -1.00 -4.89 118.68 119.66 1ukx s LEU 51 Ca 0.36 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.41 1ukx s LEU 51 Cb -0.22 -0.15 -0.06 0.00 0.03 0.00 0.00 46.19 45.79 1ukx s LEU 51 CO 0.25 0.02 0.03 -0.31 0.23 0.00 0.00 176.35 176.57 1ukx s TYR 52 N -0.15 1.77 0.36 0.29 2.02 -1.26 -2.81 117.35 117.58 1ukx s TYR 52 Ca 0.00 -0.95 -0.25 0.00 -0.37 0.00 0.00 57.07 55.50 1ukx s TYR 52 Cb -0.02 -1.09 -0.09 0.00 -0.40 0.00 0.00 41.96 40.36 1ukx s TYR 52 CO -0.00 -0.03 1.03 -1.25 -1.57 0.00 0.00 175.55 173.73 1ukx s PRO 53 N -3.88 4.34 -0.19 -1.71 0.04 -1.26 -4.28 135.00 128.06 1ukx s PRO 53 Ca 0.33 1.50 -0.29 0.00 0.04 0.00 0.00 61.00 62.58 1ukx s PRO 53 Cb 0.07 -2.70 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 1ukx s PRO 53 CO 0.13 0.02 1.90 -1.14 0.04 0.00 0.00 177.00 177.95 1ukx s GLN 54 N -2.24 3.59 0.00 4.56 0.74 -0.69 -2.99 119.66 122.63 1ukx s GLN 54 Ca 0.54 1.93 0.00 0.00 0.05 0.00 0.00 55.36 57.87 1ukx s GLN 54 Cb -0.22 -4.19 0.00 0.00 1.10 0.00 0.00 33.01 29.70 1ukx s GLN 54 CO 0.28 -1.56 0.00 0.41 -0.55 0.00 0.00 175.29 173.87 1ukx n GLY 55 N 5.09 2.19 0.24 2.59 0.00 -1.26 -4.79 105.19 109.25 1ukx n GLY 55 Ca 0.23 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.93 1ukx n GLY 55 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ukx h LEU 56 N 0.00 0.00 -2.08 0.99 3.38 -1.86 -3.47 115.31 112.26 1ukx h LEU 56 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 1ukx h LEU 56 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1ukx h LEU 56 CO 0.00 0.18 -0.89 0.00 0.09 0.00 0.00 178.44 177.82 1ukx n ALA 57 N -2.22 -2.09 -1.50 1.53 0.00 -1.24 -2.22 120.51 112.78 1ukx n ALA 57 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1ukx n ALA 57 Cb 0.38 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.01 1ukx n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ukx n GLY 58 N -1.93 0.75 3.21 0.00 0.00 -1.26 -5.08 105.19 100.88 1ukx n GLY 58 Ca -0.28 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 1ukx n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ukx s GLU 59 N -3.23 0.95 0.18 1.61 0.41 -0.94 -5.07 118.70 112.60 1ukx s GLU 59 Ca 0.00 -1.40 0.00 0.00 -0.41 0.00 0.00 54.97 53.16 1ukx s GLU 59 Cb 0.00 -0.38 0.00 0.00 -1.78 0.00 0.00 34.13 31.97 1ukx s GLU 59 CO 0.00 0.01 0.00 0.39 -0.49 0.00 0.00 175.26 175.17 1ukx n GLU 60 N -0.12 0.00 -1.28 1.61 -0.58 -1.26 -4.85 120.64 114.15 1ukx n GLU 60 Ca -0.11 0.00 0.15 0.00 -0.42 0.00 0.00 57.16 56.78 1ukx n GLU 60 Cb 0.61 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.42 1ukx n GLU 60 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1ukx n VAL 61 N 0.00 -0.06 0.00 2.62 0.24 -1.26 -5.00 118.33 114.87 1ukx n VAL 61 Ca 0.00 0.43 0.00 0.00 -2.04 0.00 0.00 64.34 62.73 1ukx n VAL 61 Cb 0.00 -0.83 0.00 0.00 -1.47 0.00 0.00 33.84 31.54 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 -3.90 0.00 -3.95 6.34 4.02 -1.26 -5.08 117.16 113.32 1ukx n TYR 62 Ca -0.04 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.76 1ukx n TYR 62 Cb 0.64 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.86 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 -0.72 0.10 0.21 -0.72 -7.23 -1.26 -2.82 120.40 107.96 1ukx s VAL 63 Ca 0.00 -0.85 -0.23 0.00 -1.81 0.00 0.00 61.98 59.09 1ukx s VAL 63 Cb 0.00 -0.30 0.05 0.00 0.56 0.00 0.00 36.38 36.70 1ukx s VAL 63 CO 0.00 -0.47 0.90 0.00 -0.31 0.00 0.00 175.10 175.23 1ukx s GLN 64 N -1.42 1.44 0.12 4.82 -2.07 -1.17 -4.41 119.66 116.97 1ukx s GLN 64 Ca -0.16 -0.83 -0.09 0.00 -1.82 0.00 0.00 55.36 52.46 1ukx s GLN 64 Cb -0.09 0.47 -0.00 0.00 -1.09 0.00 0.00 33.01 32.29 1ukx s GLN 64 CO -0.00 -0.66 0.24 0.54 -1.32 0.00 0.00 175.29 174.08 1ukx s VAL 65 N -3.20 0.11 -0.28 3.63 0.11 -1.12 -1.44 120.40 118.21 1ukx s VAL 65 Ca 0.14 -1.22 -0.12 0.00 -2.93 0.00 0.00 61.98 57.85 1ukx s VAL 65 Cb -0.03 -1.52 -0.05 0.00 -1.53 0.00 0.00 36.38 33.26 1ukx s VAL 65 CO 0.05 -0.50 0.22 -1.61 -3.33 0.00 0.00 175.10 169.93 1ukx s GLU 66 N -3.90 3.97 -0.25 1.54 2.02 -0.40 -2.38 118.70 119.29 1ukx s GLU 66 Ca 0.09 -0.25 -0.18 0.00 0.02 0.00 0.00 54.97 54.66 1ukx s GLU 66 Cb 0.04 -3.65 -0.03 0.00 0.10 0.00 0.00 34.13 30.59 1ukx s GLU 66 CO -0.07 -0.18 0.52 -1.17 0.02 0.00 0.00 175.26 174.37 1ukx s LEU 67 N 1.78 4.06 -0.10 1.80 0.20 0.33 -1.14 118.68 125.61 1ukx s LEU 67 Ca 0.09 0.54 -0.09 0.00 0.69 0.00 0.00 54.13 55.36 1ukx s LEU 67 Cb -0.16 -2.67 -0.04 0.00 -0.43 0.00 0.00 46.19 42.89 1ukx s LEU 67 CO 0.10 -0.27 0.20 -0.60 -0.29 0.00 0.00 176.35 175.49 1ukx s ARG 68 N 2.23 3.60 0.00 1.98 6.06 0.29 -1.05 118.95 132.05 1ukx s ARG 68 Ca 0.22 -0.01 0.03 0.00 -2.50 0.00 0.00 55.73 53.46 1ukx s ARG 68 Cb -0.16 -3.21 -0.01 0.00 0.06 0.00 0.00 34.95 31.63 1ukx s ARG 68 CO 0.09 0.72 -0.09 0.08 -2.50 0.00 0.00 175.30 173.60 1ukx s VAL 69 N -0.93 0.72 -0.07 7.11 1.01 -1.09 -3.19 120.40 123.96 1ukx s VAL 69 Ca 0.17 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.73 1ukx s VAL 69 Cb -0.13 -0.63 -0.12 0.00 0.00 0.00 0.00 36.38 35.51 1ukx s VAL 69 CO 0.06 0.13 0.07 2.29 0.00 0.00 0.00 175.10 177.64 1ukx n LYS 70 N 2.64 2.03 -2.04 2.72 2.85 -1.26 -1.15 118.16 123.95 1ukx n LYS 70 Ca -0.15 -0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.09 1ukx n LYS 70 Cb 0.57 -1.22 0.00 0.00 -0.65 0.00 0.00 35.03 33.72 1ukx n LYS 70 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ukx n PRO 72 N 1.90 -0.15 0.00 0.00 -0.04 -1.26 -4.28 135.00 131.16 1ukx n PRO 72 Ca 0.00 0.02 0.02 0.00 -0.04 0.00 0.00 63.50 63.50 1ukx n PRO 72 Cb 0.00 -2.25 0.10 0.00 -0.04 0.00 0.00 33.50 31.30 1ukx n PRO 72 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1ukx n PRO 73 N -3.14 0.40 0.00 0.54 -0.04 -1.26 -1.35 135.00 130.15 1ukx n PRO 73 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1ukx n PRO 73 Cb 0.52 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 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 -0.62 0.00 -1.78 0.52 -2.24 -1.26 -4.63 114.28 104.27 1ukx n THR 74 Ca 0.02 -0.35 -0.40 0.00 -2.27 0.00 0.00 64.05 61.05 1ukx n THR 74 Cb 0.01 1.15 0.01 0.00 -2.10 0.00 0.00 70.33 69.40 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 -0.35 2.49 -1.35 4.78 6.14 -0.46 -0.78 117.35 127.81 1ukx s TYR 75 Ca 0.00 1.21 0.11 0.00 0.64 0.00 0.00 57.07 59.02 1ukx s TYR 75 Cb 0.00 -3.99 0.42 0.00 0.42 0.00 0.00 41.96 38.81 1ukx s TYR 75 CO 0.00 -3.03 1.27 -0.35 0.64 0.00 0.00 175.55 174.08 1ukx n PRO 76 N 0.09 2.56 -0.38 4.97 -0.04 -1.26 -4.81 135.00 136.13 1ukx n PRO 76 Ca 0.03 -1.67 -0.02 0.00 -0.04 0.00 0.00 63.50 61.81 1ukx n PRO 76 Cb 0.40 -1.61 0.11 0.00 -0.04 0.00 0.00 33.50 32.37 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 1.14 -3.29 3.54 3.58 -1.21 -0.18 116.42 122.42 1ukx h ASP 77 Ca 0.00 -0.03 -0.65 0.00 0.42 0.00 0.00 57.03 56.78 1ukx h ASP 77 Cb 0.93 -0.28 -0.11 0.00 1.72 0.00 0.00 39.33 41.59 1ukx h ASP 77 CO 0.13 0.82 -0.64 0.68 -2.88 0.00 0.00 179.24 177.35 1ukx s VAL 78 N -6.11 4.22 0.41 2.25 -7.23 -1.19 -4.55 120.40 108.19 1ukx s VAL 78 Ca -0.13 -0.88 -0.26 0.00 -1.81 0.00 0.00 61.98 58.89 1ukx s VAL 78 Cb 0.18 -3.01 -0.09 0.00 0.56 0.00 0.00 36.38 34.01 1ukx s VAL 78 CO 0.82 0.13 1.38 0.68 -0.31 0.00 0.00 175.10 177.80 1ukx s VAL 79 N -1.33 2.35 0.69 1.32 -7.23 -1.26 -4.26 120.40 110.68 1ukx s VAL 79 Ca 0.27 0.32 -0.11 0.00 -1.81 0.00 0.00 61.98 60.65 1ukx s VAL 79 Cb -0.12 -3.20 0.01 0.00 0.56 0.00 0.00 36.38 33.63 1ukx s VAL 79 CO 0.19 0.06 1.06 -2.16 -0.31 0.00 0.00 175.10 173.94 1ukx s PRO 80 N -2.23 2.96 0.52 4.82 0.04 -1.26 -4.86 135.00 134.99 1ukx s PRO 80 Ca 0.56 0.89 -0.14 0.00 0.04 0.00 0.00 61.00 62.36 1ukx s PRO 80 Cb -0.42 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.06 1ukx s PRO 80 CO 0.54 -1.07 0.95 -1.21 0.04 0.00 0.00 177.00 176.26 1ukx s GLU 81 N -5.08 3.83 -0.03 4.56 2.02 -1.26 -4.97 118.70 117.76 1ukx s GLU 81 Ca 0.58 0.80 -0.01 0.00 0.02 0.00 0.00 54.97 56.36 1ukx s GLU 81 Cb -0.14 -2.18 0.03 0.00 0.10 0.00 0.00 34.13 31.95 1ukx s GLU 81 CO 0.55 -0.29 0.06 0.42 0.02 0.00 0.00 175.26 176.01 1ukx s ILE 82 N -2.71 -0.09 -0.06 -1.63 1.01 -1.26 -4.35 121.20 112.11 1ukx s ILE 82 Ca 0.56 0.30 0.00 0.00 0.00 0.00 0.00 60.65 61.52 1ukx s ILE 82 Cb -0.10 -0.13 0.02 0.00 0.01 0.00 0.00 42.46 42.26 1ukx s ILE 82 CO 0.37 0.12 -0.04 -1.81 0.00 0.00 0.00 174.94 173.59 1ukx s ASP 83 N 1.55 1.31 -0.38 3.58 1.01 -1.19 -5.03 116.67 117.52 1ukx s ASP 83 Ca -0.03 -0.14 -0.04 0.00 0.71 0.00 0.00 52.55 53.04 1ukx s ASP 83 Cb -0.12 -0.51 0.08 0.00 1.01 0.00 0.00 42.92 43.38 1ukx s ASP 83 CO -0.03 -0.10 0.16 -0.76 0.21 0.00 0.00 175.17 174.64 1ukx s LEU 84 N 1.31 4.79 0.28 1.23 1.02 -1.26 -0.55 118.68 125.50 1ukx s LEU 84 Ca -0.05 -1.63 0.09 0.00 0.02 0.00 0.00 54.13 52.57 1ukx s LEU 84 Cb -0.14 -1.84 -0.04 0.00 0.02 0.00 0.00 46.19 44.19 1ukx s LEU 84 CO -0.02 -0.45 0.03 -0.54 0.02 0.00 0.00 176.35 175.39 1ukx s LYS 85 N 1.26 2.35 -1.23 1.70 1.02 -0.29 -4.74 119.74 119.81 1ukx s LYS 85 Ca 0.03 -1.42 -0.14 0.00 0.02 0.00 0.00 55.97 54.46 1ukx s LYS 85 Cb -0.22 -2.19 -0.00 0.00 -0.52 0.00 0.00 37.83 34.90 1ukx s LYS 85 CO -0.01 0.33 0.68 0.09 -0.92 0.00 0.00 175.35 175.51 1ukx n ASN 86 N -0.95 -3.56 -4.78 2.83 3.02 -1.26 -1.28 115.26 109.28 1ukx n ASN 86 Ca -0.06 -1.01 -0.36 0.00 -0.03 0.00 0.00 54.58 53.12 1ukx n ASN 86 Cb 0.59 -3.28 -0.02 0.00 -0.61 0.00 0.00 39.78 36.46 1ukx n ASN 86 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ukx s ALA 87 N -3.62 2.91 0.16 5.41 0.00 -1.26 -4.05 121.76 121.31 1ukx s ALA 87 Ca 0.31 0.82 0.08 0.00 0.00 0.00 0.00 51.96 53.17 1ukx s ALA 87 Cb -0.11 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 1ukx s ALA 87 CO 0.87 -0.56 -0.18 0.15 0.00 0.00 0.00 175.76 176.04 1ukx s LYS 88 N -2.87 1.24 0.00 0.00 1.02 -0.52 -4.77 119.74 113.84 1ukx s LYS 88 Ca 0.65 -1.39 0.00 0.00 0.02 0.00 0.00 55.97 55.25 1ukx s LYS 88 Cb -0.25 -1.27 0.00 0.00 -0.52 0.00 0.00 37.83 35.79 1ukx s LYS 88 CO 0.30 0.26 0.00 0.41 -0.92 0.00 0.00 175.35 175.39 1ukx n GLY 89 N 0.31 1.15 3.56 -3.33 0.00 -1.13 -3.03 105.19 102.72 1ukx n GLY 89 Ca -0.13 0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1ukx n GLY 89 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ukx s LEU 90 N 0.00 3.23 -1.02 0.99 1.43 -1.26 -4.94 118.68 117.10 1ukx s LEU 90 Ca 0.00 -0.22 -0.23 0.00 -1.03 0.00 0.00 54.13 52.65 1ukx s LEU 90 Cb 0.00 -2.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.53 1ukx s LEU 90 CO 0.00 -1.87 1.84 -0.44 0.23 0.00 0.00 176.35 176.11 1ukx s SER 91 N 4.32 5.49 -0.50 2.29 0.01 -1.26 -4.08 113.70 119.97 1ukx s SER 91 Ca 0.42 -1.19 0.00 0.00 1.31 0.00 0.00 55.95 56.48 1ukx s SER 91 Cb -0.09 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1ukx s SER 91 CO 0.18 -2.48 0.00 -3.20 0.41 0.00 0.00 173.24 168.15 1ukx n ASN 92 N 12.72 -2.14 0.00 2.44 5.15 -1.26 -4.86 115.26 127.31 1ukx n ASN 92 Ca 0.41 0.32 0.00 0.00 -0.60 0.00 0.00 54.58 54.70 1ukx n ASN 92 Cb 0.47 -1.97 0.00 0.00 -0.53 0.00 0.00 39.78 37.75 1ukx n ASN 92 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1ukx n GLU 93 N -2.38 0.00 0.00 1.20 0.00 -1.26 -4.32 120.64 113.88 1ukx n GLU 93 Ca -0.06 0.00 0.06 0.00 0.00 0.00 0.00 57.16 57.16 1ukx n GLU 93 Cb 0.48 0.00 0.37 0.00 0.00 0.00 0.00 31.44 32.29 1ukx n GLU 93 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1ukx n SER 94 N 0.00 0.00 -0.12 4.31 3.41 -1.26 -1.28 113.62 118.68 1ukx n SER 94 Ca 0.00 -0.68 -0.05 0.00 -0.26 0.00 0.00 58.87 57.88 1ukx n SER 94 Cb 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1ukx n SER 94 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1ukx h VAL 95 N 0.00 0.85 -0.90 -3.33 2.07 -1.87 -1.11 116.25 111.95 1ukx h VAL 95 Ca 0.00 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1ukx h VAL 95 Cb 0.00 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 1ukx h VAL 95 CO 0.00 0.05 0.50 0.78 0.02 0.00 0.00 177.57 178.91 1ukx h ASN 96 N 0.26 1.12 0.73 0.57 2.35 -1.38 -0.68 115.58 118.56 1ukx h ASN 96 Ca 0.19 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 1ukx h ASN 96 Cb 0.19 -0.29 0.01 0.00 0.05 0.00 0.00 38.32 38.28 1ukx h ASN 96 CO -0.21 0.90 -0.35 0.25 -1.65 0.00 0.00 177.43 176.37 1ukx h LEU 97 N 1.26 -0.82 -1.54 1.61 6.46 -1.63 -2.56 115.31 118.09 1ukx h LEU 97 Ca 0.32 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 58.07 1ukx h LEU 97 Cb 0.02 0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.15 1ukx h LEU 97 CO -0.05 -0.53 0.11 0.25 -0.62 0.00 0.00 178.44 177.60 1ukx h LEU 98 N -1.07 0.37 0.56 2.25 5.85 -0.98 -0.49 115.31 121.79 1ukx h LEU 98 Ca -0.10 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 1ukx h LEU 98 Cb 0.77 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1ukx h LEU 98 CO 0.16 0.35 -0.42 0.50 -0.34 0.00 0.00 178.44 178.69 1ukx h LYS 99 N 0.42 -0.92 -0.59 1.25 3.64 -1.04 -0.97 116.57 118.35 1ukx h LYS 99 Ca 0.10 0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.61 1ukx h LYS 99 Cb 0.10 0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1ukx h LYS 99 CO -0.01 -0.61 0.39 0.77 -2.27 0.00 0.00 179.45 177.72 1ukx h SER 100 N -0.95 0.49 0.04 4.20 0.02 -0.77 0.55 113.55 117.13 1ukx h SER 100 Ca -0.06 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1ukx h SER 100 Cb 0.80 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1ukx h SER 100 CO 0.01 0.32 -0.02 0.45 -1.14 0.00 0.00 176.83 176.46 1ukx h HIS 101 N 0.56 -0.05 -0.58 3.45 3.86 -0.91 -1.25 115.15 120.23 1ukx h HIS 101 Ca 0.25 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.43 1ukx h HIS 101 Cb 0.28 0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.74 1ukx h HIS 101 CO -0.00 0.19 0.25 -0.07 0.86 0.00 0.00 177.93 179.15 1ukx h LEU 102 N -0.29 0.75 -1.07 2.43 3.38 -0.50 0.11 115.31 120.12 1ukx h LEU 102 Ca -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1ukx h LEU 102 Cb 0.26 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1ukx h LEU 102 CO 0.01 0.66 0.00 -0.33 0.09 0.00 0.00 178.44 178.87 1ukx h GLU 103 N 0.82 0.00 0.00 1.13 5.08 -0.73 -0.53 114.58 120.35 1ukx h GLU 103 Ca 0.20 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.39 1ukx h GLU 103 Cb 0.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1ukx h GLU 103 CO -0.02 0.00 -0.90 1.05 -1.00 0.00 0.00 179.01 178.14 1ukx h GLU 104 N 0.00 0.01 -0.98 2.33 4.11 0.12 -3.37 114.58 116.80 1ukx h GLU 104 Ca 0.00 -0.01 0.22 0.00 0.07 0.00 0.00 59.36 59.64 1ukx h GLU 104 Cb 0.44 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.58 1ukx h GLU 104 CO 0.00 1.01 0.56 1.25 0.07 0.00 0.00 179.01 181.90 1ukx h LEU 105 N -0.98 0.66 -0.57 3.06 5.85 -0.80 0.14 115.31 122.67 1ukx h LEU 105 Ca -0.25 0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.66 1ukx h LEU 105 Cb 1.23 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.22 1ukx h LEU 105 CO -0.14 0.15 0.27 0.00 -0.34 0.00 0.00 178.44 178.38 1ukx h ALA 106 N 1.69 0.73 -0.47 1.25 0.00 -1.27 -1.18 119.26 120.02 1ukx h ALA 106 Ca 0.60 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.52 1ukx h ALA 106 Cb 1.07 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1ukx h ALA 106 CO -0.45 -0.10 0.15 0.87 0.00 0.00 0.00 179.25 179.72 1ukx h LYS 107 N 0.50 0.69 0.00 0.00 6.56 -0.89 -0.27 116.57 123.16 1ukx h LYS 107 Ca 0.26 -0.11 0.00 0.00 -1.06 0.00 0.00 60.65 59.74 1ukx h LYS 107 Cb 0.22 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 31.76 1ukx h LYS 107 CO -0.21 0.60 0.00 1.63 -2.06 0.00 0.00 179.45 179.42 1ukx n LYS 108 N -4.32 0.02 0.00 3.15 5.02 -0.56 -2.63 118.16 118.84 1ukx n LYS 108 Ca 0.03 0.09 0.02 0.00 -2.02 0.00 0.00 58.31 56.43 1ukx n LYS 108 Cb 0.18 -1.53 0.01 0.00 -0.02 0.00 0.00 35.03 33.68 1ukx n LYS 108 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1ukx n GLN 109 N -1.56 1.01 -1.91 1.97 1.13 -0.56 -5.07 117.38 112.39 1ukx n GLN 109 Ca 0.06 -0.56 -0.41 0.00 -1.94 0.00 0.00 57.00 54.15 1ukx n GLN 109 Cb 0.30 -0.98 -0.02 0.00 0.11 0.00 0.00 30.24 29.66 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 1.60 3.16 3.58 0.00 0.00 -0.08 -5.03 105.19 108.42 1ukx n GLY 111 Ca 0.05 -1.01 -0.27 0.00 0.00 0.00 0.00 46.02 44.79 1ukx n GLY 111 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ukx s GLU 112 N 0.00 1.88 0.37 1.61 2.12 -0.95 -4.60 118.70 119.12 1ukx s GLU 112 Ca 0.00 -2.04 -0.28 0.00 0.36 0.00 0.00 54.97 53.02 1ukx s GLU 112 Cb 0.00 -1.60 -0.11 0.00 0.26 0.00 0.00 34.13 32.68 1ukx s GLU 112 CO 0.00 0.00 1.41 1.33 -0.54 0.00 0.00 175.26 177.46 1ukx n VAL 113 N -0.89 2.02 -0.12 3.70 0.24 -1.26 -4.77 118.33 117.24 1ukx n VAL 113 Ca -0.05 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.75 1ukx n VAL 113 Cb 0.66 -1.81 0.00 0.00 -1.47 0.00 0.00 33.84 31.22 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 0.47 1.17 -0.29 7.34 0.00 -1.26 -4.85 117.12 119.70 1ukx n MET 114 Ca 0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 57.70 57.71 1ukx n MET 114 Cb 0.38 -0.18 0.19 0.00 0.00 0.00 0.00 33.22 33.62 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 0.12 1.21 -0.39 3.17 2.04 -1.99 0.10 117.51 121.77 1ukx h ILE 115 Ca 0.00 -0.40 0.06 0.00 1.00 0.00 0.00 64.86 65.52 1ukx h ILE 115 Cb 0.06 -0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 36.04 1ukx h ILE 115 CO 0.00 0.21 0.09 -0.26 0.00 0.00 0.00 178.15 178.19 1ukx h PHE 116 N 1.16 0.14 -0.44 1.37 -1.00 -2.00 -1.84 116.94 114.33 1ukx h PHE 116 Ca 0.32 0.02 -0.05 0.00 2.81 0.00 0.00 57.97 61.07 1ukx h PHE 116 Cb -0.11 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.43 1ukx h PHE 116 CO -0.00 0.02 0.06 1.49 -1.61 0.00 0.00 178.31 178.28 1ukx h GLU 117 N 0.22 0.73 0.06 1.51 4.22 -1.41 -1.55 114.58 118.36 1ukx h GLU 117 Ca 0.19 -0.20 0.02 0.00 0.08 0.00 0.00 59.36 59.45 1ukx h GLU 117 Cb 0.22 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1ukx h GLU 117 CO -0.24 0.76 -0.16 -0.07 -2.18 0.00 0.00 179.01 177.12 1ukx h LEU 118 N 0.58 -0.45 -0.41 1.64 3.38 -0.40 0.85 115.31 120.51 1ukx h LEU 118 Ca 0.13 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.23 1ukx h LEU 118 Cb 0.39 0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 1ukx h LEU 118 CO 0.01 -0.23 0.04 0.00 0.09 0.00 0.00 178.44 178.35 1ukx h ALA 119 N 0.58 0.41 -0.52 1.53 0.00 -1.32 -0.60 119.26 119.34 1ukx h ALA 119 Ca 0.03 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1ukx h ALA 119 Cb 0.33 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1ukx h ALA 119 CO -0.11 -0.36 -0.00 1.25 0.00 0.00 0.00 179.25 180.03 1ukx h HIS 120 N 0.16 0.94 0.01 0.00 2.76 -0.24 0.31 115.15 119.10 1ukx h HIS 120 Ca 0.20 -0.14 -0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1ukx h HIS 120 Cb 0.26 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 28.97 1ukx h HIS 120 CO -0.23 0.86 -0.01 1.25 -1.30 0.00 0.00 177.93 178.50 1ukx h HIS 121 N 0.81 -0.01 -0.29 5.26 6.17 -0.73 -2.13 115.15 124.23 1ukx h HIS 121 Ca 0.15 -0.00 0.06 0.00 0.71 0.00 0.00 60.37 61.30 1ukx h HIS 121 Cb 0.49 0.00 -0.06 0.00 2.52 0.00 0.00 27.41 30.36 1ukx h HIS 121 CO 0.03 0.05 -0.13 0.28 0.71 0.00 0.00 177.93 178.87 1ukx h VAL 122 N -0.07 0.59 -0.67 5.26 2.07 -0.63 -0.25 116.25 122.55 1ukx h VAL 122 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1ukx h VAL 122 Cb 0.07 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1ukx h VAL 122 CO 0.00 0.00 0.43 1.56 0.02 0.00 0.00 177.57 179.58 1ukx h GLN 123 N -0.08 0.90 -0.33 1.57 4.20 -0.80 0.17 115.11 120.73 1ukx h GLN 123 Ca 0.15 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1ukx h GLN 123 Cb 0.30 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1ukx h GLN 123 CO -0.34 0.61 0.22 0.77 -0.67 0.00 0.00 178.83 179.42 1ukx h SER 124 N 0.91 0.38 -0.14 1.46 0.02 -1.05 -1.73 113.55 113.40 1ukx h SER 124 Ca 0.24 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.07 1ukx h SER 124 Cb -0.08 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1ukx h SER 124 CO -0.05 0.27 -0.29 0.15 -1.14 0.00 0.00 176.83 175.77 1ukx h PHE 125 N 0.45 0.71 -0.21 3.45 3.04 -0.34 -2.26 116.94 121.77 1ukx h PHE 125 Ca 0.12 -0.17 -0.02 0.00 3.98 0.00 0.00 57.97 61.88 1ukx h PHE 125 Cb -0.05 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.29 1ukx h PHE 125 CO -0.06 0.84 0.05 -0.07 -2.02 0.00 0.00 178.31 177.06 1ukx h LEU 126 N 0.53 0.31 -1.12 0.59 3.38 -0.56 -1.04 115.31 117.40 1ukx h LEU 126 Ca 0.07 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1ukx h LEU 126 Cb 0.77 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1ukx h LEU 126 CO 0.06 0.45 0.13 0.77 0.09 0.00 0.00 178.44 179.94 1ukx h SER 127 N 0.15 0.69 0.04 -0.43 4.64 -1.33 0.47 113.55 117.78 1ukx h SER 127 Ca 0.07 -0.11 0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1ukx h SER 127 Cb 0.26 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 1ukx h SER 127 CO -0.00 0.68 -0.33 -0.33 -0.87 0.00 0.00 176.83 175.98 1ukx h GLU 128 N 0.73 -0.43 0.00 4.77 5.08 -1.26 -2.75 114.58 120.72 1ukx h GLU 128 Ca 0.16 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1ukx h GLU 128 Cb 0.26 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1ukx h GLU 128 CO -0.00 -0.28 0.00 1.58 -1.00 0.00 0.00 179.01 179.30 1ukx n HIS 129 N -4.32 0.00 0.03 4.33 -0.00 -0.41 -1.44 115.22 113.41 1ukx n HIS 129 Ca -0.05 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.01 1ukx n HIS 129 Cb 0.25 -0.04 -0.14 0.00 -0.12 0.00 0.00 29.99 29.94 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 0.17 0.00 0.26 -0.73 -0.76 -3.48 115.58 111.04 1ukx h ASN 130 Ca 0.00 -0.25 0.00 0.00 1.87 0.00 0.00 56.30 57.92 1ukx h ASN 130 Cb 0.03 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 38.56 1ukx h ASN 130 CO 0.00 1.21 0.00 0.29 -0.37 0.00 0.00 177.43 178.56 1ukx n LYS 131 N -3.31 0.00 0.00 6.67 4.76 -0.52 -4.91 118.16 120.85 1ukx n LYS 131 Ca -0.13 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 1ukx n LYS 131 Cb 1.02 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.21 1ukx n LYS 131 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1ukx n SER 132 N 1.47 -5.73 0.00 4.39 2.88 -1.26 -4.94 113.62 110.43 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 -1.87 3.66 0.46 0.00 -1.26 -5.13 105.19 101.05 1ukx n GLY 133 Ca 0.00 0.90 -0.42 0.00 0.00 0.00 0.00 46.02 46.50 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 0.00 4.17 0.22 1.61 0.04 -1.26 -4.94 135.00 134.84 1ukx s PRO 134 Ca 0.00 2.32 -0.32 0.00 0.04 0.00 0.00 61.00 63.04 1ukx s PRO 134 Cb 0.00 -3.98 -0.13 0.00 0.04 0.00 0.00 34.50 30.43 1ukx s PRO 134 CO 0.00 -0.86 1.59 0.43 0.04 0.00 0.00 177.00 178.20 1ukx n SER 135 N 7.03 3.41 -4.02 6.66 7.64 -1.26 -4.99 113.62 128.09 1ukx n SER 135 Ca 0.18 1.10 -0.17 0.00 1.01 0.00 0.00 58.87 60.99 1ukx n SER 135 Cb 0.42 -1.50 -0.14 0.00 -1.01 0.00 0.00 64.21 61.98 1ukx n SER 135 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ukx s SER 136 N 0.77 0.93 0.00 6.43 0.15 -1.26 -5.30 113.70 115.42 1ukx s SER 136 Ca 0.73 -0.23 0.20 0.00 0.70 0.00 0.00 55.95 57.35 1ukx s SER 136 Cb -0.59 -0.07 0.16 0.00 -1.71 0.00 0.00 66.02 63.80 1ukx s SER 136 CO 0.41 0.04 1.13 0.61 1.20 0.00 0.00 173.24 176.63