#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 4.77 -0.14 1.61 0.15 -1.26 -5.06 113.70 113.76 1ukx s SER 2 Ca 0.00 2.42 -0.30 0.00 0.70 0.00 0.00 55.95 58.77 1ukx s SER 2 Cb 0.00 -2.60 0.11 0.00 -1.71 0.00 0.00 66.02 61.82 1ukx s SER 2 CO 0.00 -1.88 0.92 -0.55 1.20 0.00 0.00 173.24 172.93 1ukx s SER 3 N -1.70 -0.44 0.26 5.45 0.15 -1.26 -5.17 113.70 110.99 1ukx s SER 3 Ca 0.77 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.93 1ukx s SER 3 Cb -0.31 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 1ukx s SER 3 CO 0.38 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 175.04 1ukx n GLY 4 N 0.85 -1.97 0.05 9.45 0.00 -1.26 -4.55 105.19 107.76 1ukx n GLY 4 Ca -0.12 -1.26 0.09 0.00 0.00 0.00 0.00 46.02 44.73 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 -3.38 0.29 0.00 1.61 7.64 -1.26 -4.94 113.62 113.58 1ukx n SER 5 Ca -0.01 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.44 1ukx n SER 5 Cb 0.44 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 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 -1.81 0.00 -4.04 6.43 7.64 -1.26 -3.44 113.62 117.14 1ukx n SER 6 Ca 0.03 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.49 1ukx n SER 6 Cb 0.20 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 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 0.00 3.87 2.22 0.23 0.00 -1.26 -3.60 105.19 106.64 1ukx n GLY 7 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1ukx n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ukx n MET 8 N 6.45 0.00 -1.44 1.61 1.56 -1.22 -5.13 117.12 118.95 1ukx n MET 8 Ca 0.49 0.00 -0.32 0.00 -0.27 0.00 0.00 57.70 57.59 1ukx n MET 8 Cb 0.41 0.00 0.08 0.00 2.15 0.00 0.00 33.22 35.86 1ukx n MET 8 CO 0.00 0.00 0.00 -2.00 -0.73 0.00 0.00 175.97 173.24 1ukx s GLU 9 N -1.92 2.32 0.00 2.12 2.12 -1.24 -4.81 118.70 117.29 1ukx s GLU 9 Ca 0.00 1.41 0.00 0.00 0.36 0.00 0.00 54.97 56.74 1ukx s GLU 9 Cb 0.00 -1.89 0.00 0.00 0.26 0.00 0.00 34.13 32.50 1ukx s GLU 9 CO 0.00 -1.63 0.00 0.45 -0.54 0.00 0.00 175.26 173.54 1ukx n SER 10 N -2.99 -0.73 -0.02 -1.70 2.88 -1.26 -4.94 113.62 104.86 1ukx n SER 10 Ca 0.11 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.63 1ukx n SER 10 Cb 0.52 0.97 -0.02 0.00 -0.75 0.00 0.00 64.21 64.94 1ukx n SER 10 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1ukx n TYR 11 N -1.05 0.00 0.05 0.66 4.01 -1.26 -4.66 117.16 114.91 1ukx n TYR 11 Ca 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.75 1ukx n TYR 11 Cb 0.00 -0.12 0.34 0.00 -0.31 0.00 0.00 39.34 39.24 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 0.39 0.55 7.72 4.64 -1.92 -1.83 113.55 123.09 1ukx h SER 12 Ca -0.07 -0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.15 1ukx h SER 12 Cb 1.12 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1ukx h SER 12 CO -0.01 0.49 -0.28 1.56 -0.87 0.00 0.00 176.83 177.72 1ukx h GLN 13 N 0.39 -0.73 -0.48 4.77 4.20 -1.95 0.15 115.11 121.47 1ukx h GLN 13 Ca 0.08 0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.86 1ukx h GLN 13 Cb 0.34 0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 1ukx h GLN 13 CO 0.01 -0.48 0.32 0.00 -0.67 0.00 0.00 178.83 178.01 1ukx h ARG 14 N -0.75 0.56 0.54 1.46 3.08 -1.79 0.12 114.38 117.59 1ukx h ARG 14 Ca -0.07 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 1ukx h ARG 14 Cb 0.58 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 30.51 1ukx h ARG 14 CO 0.11 0.37 -0.26 1.96 -1.07 0.00 0.00 179.97 181.09 1ukx h GLN 15 N 0.58 -0.69 -0.64 0.04 4.20 -0.92 -2.14 115.11 115.53 1ukx h GLN 15 Ca 0.19 0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.92 1ukx h GLN 15 Cb 0.03 0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 1ukx h GLN 15 CO -0.04 -0.41 0.29 0.22 -0.67 0.00 0.00 178.83 178.22 1ukx h ASP 16 N -0.85 0.84 -0.88 1.46 3.58 -0.71 -0.70 116.42 119.16 1ukx h ASP 16 Ca -0.07 -0.14 0.18 0.00 0.42 0.00 0.00 57.03 57.42 1ukx h ASP 16 Cb 0.60 -0.22 -0.11 0.00 1.72 0.00 0.00 39.33 41.33 1ukx h ASP 16 CO 0.12 0.75 0.44 0.45 -2.88 0.00 0.00 179.24 178.11 1ukx h HIS 17 N 0.88 0.75 0.00 0.28 3.86 -0.81 -0.39 115.15 119.72 1ukx h HIS 17 Ca 0.22 0.04 -0.24 0.00 -1.16 0.00 0.00 60.37 59.23 1ukx h HIS 17 Cb 0.14 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 28.38 1ukx h HIS 17 CO 0.00 0.08 -1.22 1.49 0.86 0.00 0.00 177.93 179.14 1ukx h GLU 18 N 0.54 0.00 -0.25 2.45 4.57 -0.64 -1.61 114.58 119.65 1ukx h GLU 18 Ca 0.52 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.66 1ukx h GLU 18 Cb 0.86 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.45 1ukx h GLU 18 CO -0.44 0.85 0.05 -0.07 -1.18 0.00 0.00 179.01 178.22 1ukx h LEU 19 N 0.00 0.39 -0.47 1.64 3.38 -0.46 0.15 115.31 119.95 1ukx h LEU 19 Ca -0.10 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.64 1ukx h LEU 19 Cb 1.85 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 42.47 1ukx h LEU 19 CO 0.12 0.54 0.29 1.56 0.09 0.00 0.00 178.44 181.03 1ukx h GLN 20 N 0.23 0.57 -0.52 1.13 4.20 -1.16 -1.26 115.11 118.30 1ukx h GLN 20 Ca 0.08 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.78 1ukx h GLN 20 Cb 0.30 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 1ukx h GLN 20 CO 0.00 0.37 0.31 0.00 -0.67 0.00 0.00 178.83 178.85 1ukx h ALA 21 N 1.19 0.67 -0.90 3.87 0.00 -0.97 -1.21 119.26 121.91 1ukx h ALA 21 Ca 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1ukx h ALA 21 Cb -0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1ukx h ALA 21 CO -0.07 0.02 0.53 -0.07 0.00 0.00 0.00 179.25 179.66 1ukx h LEU 22 N 0.62 1.09 -1.38 0.00 3.38 -0.40 -1.21 115.31 117.41 1ukx h LEU 22 Ca 0.21 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1ukx h LEU 22 Cb 0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1ukx h LEU 22 CO -0.09 0.84 -0.29 -0.08 0.09 0.00 0.00 178.44 178.91 1ukx h GLU 23 N 1.24 0.00 0.00 1.13 4.81 -0.60 0.16 114.58 121.33 1ukx h GLU 23 Ca 0.32 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.44 1ukx h GLU 23 Cb -0.03 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1ukx h GLU 23 CO -0.06 0.29 -0.68 0.00 -0.73 0.00 0.00 179.01 177.83 1ukx h ALA 24 N 1.71 0.67 0.00 2.92 0.00 -0.38 -3.08 119.26 121.10 1ukx h ALA 24 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1ukx h ALA 24 Cb 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1ukx h ALA 24 CO 0.04 0.64 -0.50 -0.89 0.00 0.00 0.00 179.25 178.54 1ukx n ILE 25 N -3.13 0.77 0.01 0.00 2.08 -0.54 -4.78 119.36 113.77 1ukx n ILE 25 Ca -0.00 0.32 -0.00 0.00 0.56 0.00 0.00 62.75 63.62 1ukx n ILE 25 Cb 0.74 -1.94 -0.00 0.00 -0.75 0.00 0.00 39.64 37.69 1ukx n ILE 25 CO 0.00 0.00 0.00 1.88 0.56 0.00 0.00 176.55 178.99 1ukx h TYR 26 N -0.52 -0.02 0.00 1.39 -1.99 -0.90 -3.50 116.97 111.43 1ukx h TYR 26 Ca 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1ukx h TYR 26 Cb 0.50 0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.24 1ukx h TYR 26 CO -0.21 -0.01 0.00 0.41 -0.00 0.00 0.00 178.16 178.34 1ukx n GLY 27 N 0.33 0.69 0.31 3.88 0.00 -1.16 -4.54 105.19 104.69 1ukx n GLY 27 Ca -0.00 -1.51 0.14 0.00 0.00 0.00 0.00 46.02 44.65 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 0.00 -0.52 1.61 0.87 -1.94 -0.55 113.55 113.02 1ukx h SER 28 Ca 0.00 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.60 1ukx h SER 28 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1ukx h SER 28 CO 0.00 0.00 0.35 -2.24 -0.53 0.00 0.00 176.83 174.41 1ukx h ASP 29 N 0.00 0.47 -3.28 6.23 2.03 -1.90 -3.40 116.42 116.57 1ukx h ASP 29 Ca 0.07 -0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.80 1ukx h ASP 29 Cb 0.32 -0.11 -0.04 0.00 -0.83 0.00 0.00 39.33 38.67 1ukx h ASP 29 CO -0.00 0.32 -0.00 0.12 -1.03 0.00 0.00 179.24 178.65 1ukx s PHE 30 N -5.50 3.82 -0.14 4.15 5.36 -0.21 -1.28 117.98 124.19 1ukx s PHE 30 Ca -0.08 1.33 -0.03 0.00 -0.96 0.00 0.00 56.93 57.19 1ukx s PHE 30 Cb 0.18 -2.54 0.05 0.00 -0.34 0.00 0.00 43.02 40.37 1ukx s PHE 30 CO 0.74 0.58 0.05 -1.14 -1.46 0.00 0.00 175.22 174.00 1ukx s GLN 31 N -1.11 0.30 0.14 10.12 0.74 0.23 -4.80 119.66 125.28 1ukx s GLN 31 Ca 0.30 -0.06 -0.30 0.00 0.05 0.00 0.00 55.36 55.34 1ukx s GLN 31 Cb -0.20 -1.53 -0.07 0.00 1.10 0.00 0.00 33.01 32.30 1ukx s GLN 31 CO 0.20 -0.54 1.19 0.16 -0.55 0.00 0.00 175.29 175.76 1ukx s ASP 32 N 2.04 7.09 -0.02 6.67 1.47 -1.26 -1.13 116.67 131.53 1ukx s ASP 32 Ca 0.02 2.15 0.06 0.00 1.18 0.00 0.00 52.55 55.96 1ukx s ASP 32 Cb -0.15 -2.60 -0.09 0.00 -0.34 0.00 0.00 42.92 39.75 1ukx s ASP 32 CO -0.07 -0.40 0.10 0.18 0.68 0.00 0.00 175.17 175.66 1ukx n LEU 33 N 3.02 0.00 -3.99 2.11 4.77 -0.26 -4.86 117.00 117.78 1ukx n LEU 33 Ca 0.06 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.74 1ukx n LEU 33 Cb 0.45 0.04 -0.16 0.00 -2.33 0.00 0.00 43.42 41.42 1ukx n LEU 33 CO 0.56 0.04 -0.47 -0.13 -1.33 0.00 0.00 177.39 176.06 1ukx s ARG 34 N -2.33 2.08 0.67 3.23 3.00 -1.12 -4.89 118.95 119.59 1ukx s ARG 34 Ca -0.02 -0.56 -0.11 0.00 0.00 0.00 0.00 55.73 55.03 1ukx s ARG 34 Cb 0.03 -2.08 0.16 0.00 0.00 0.00 0.00 34.95 33.06 1ukx s ARG 34 CO 0.24 -0.29 0.81 -0.35 0.00 0.00 0.00 175.30 175.71 1ukx n PRO 35 N 4.79 -1.23 0.25 3.54 -0.04 -1.26 -4.47 135.00 136.58 1ukx n PRO 35 Ca -0.16 -1.26 0.16 0.00 -0.04 0.00 0.00 63.50 62.21 1ukx n PRO 35 Cb 0.49 -0.92 0.88 0.00 -0.04 0.00 0.00 33.50 33.91 1ukx n PRO 35 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1ukx h ASP 36 N -1.38 0.00 0.00 3.54 2.03 -2.00 -2.86 116.42 115.75 1ukx h ASP 36 Ca -0.27 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 55.94 1ukx h ASP 36 Cb 0.77 0.00 -0.19 0.00 -0.83 0.00 0.00 39.33 39.08 1ukx h ASP 36 CO 0.19 0.00 -0.73 0.00 -1.03 0.00 0.00 179.24 177.67 1ukx n ALA 37 N -2.31 2.23 -0.19 4.15 0.00 -1.26 -4.99 120.51 118.14 1ukx n ALA 37 Ca -0.01 -1.59 0.00 0.00 0.00 0.00 0.00 53.44 51.84 1ukx n ALA 37 Cb 0.21 -0.59 0.03 0.00 0.00 0.00 0.00 19.45 19.10 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 0.24 -0.10 -0.07 0.00 0.00 -1.08 -0.88 116.66 114.76 1ukx n ARG 38 Ca 0.02 0.77 0.09 0.00 -0.00 0.00 0.00 57.85 58.73 1ukx n ARG 38 Cb 0.91 -1.14 0.13 0.00 0.00 0.00 0.00 32.46 32.36 1ukx n ARG 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ukx n GLY 39 N -1.25 4.72 5.00 5.14 0.00 -1.26 -5.01 105.19 112.53 1ukx n GLY 39 Ca 0.06 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.34 0.00 -1.44 1.61 3.00 -0.06 -4.92 116.66 113.51 1ukx n ARG 40 Ca 0.15 0.00 -0.49 0.00 -0.00 0.00 0.00 57.85 57.51 1ukx n ARG 40 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 33.04 1ukx n ARG 40 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 1ukx n VAL 41 N 0.00 1.78 -2.43 5.15 0.24 -1.26 -4.83 118.33 116.98 1ukx n VAL 41 Ca 0.00 -0.44 -0.43 0.00 -2.04 0.00 0.00 64.34 61.43 1ukx n VAL 41 Cb 0.00 -0.14 -0.02 0.00 -1.47 0.00 0.00 33.84 32.21 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 -0.95 3.96 0.22 7.34 3.00 -1.26 -4.87 118.95 126.39 1ukx s ARG 42 Ca 0.66 1.30 -0.14 0.00 -1.00 0.00 0.00 55.73 56.56 1ukx s ARG 42 Cb -0.93 -3.86 0.01 0.00 0.00 0.00 0.00 34.95 30.16 1ukx s ARG 42 CO 0.56 -1.06 0.47 -1.83 0.00 0.00 0.00 175.30 173.45 1ukx s GLU 43 N 4.06 1.45 -0.22 5.12 -1.05 -1.26 -5.12 118.70 121.68 1ukx s GLU 43 Ca 0.56 -1.11 -0.29 0.00 -0.15 0.00 0.00 54.97 53.97 1ukx s GLU 43 Cb -0.17 0.48 0.01 0.00 -0.44 0.00 0.00 34.13 34.00 1ukx s GLU 43 CO 0.22 -0.60 1.06 -1.25 0.95 0.00 0.00 175.26 175.63 1ukx s PRO 44 N -3.96 4.26 -0.67 -4.83 0.04 -1.26 -4.97 135.00 123.60 1ukx s PRO 44 Ca 0.17 1.39 -0.26 0.00 0.04 0.00 0.00 61.00 62.33 1ukx s PRO 44 Cb -0.00 -3.65 -0.02 0.00 0.04 0.00 0.00 34.50 30.87 1ukx s PRO 44 CO 0.04 -0.63 1.78 -1.25 0.04 0.00 0.00 177.00 176.98 1ukx s PRO 45 N 3.18 2.72 0.44 0.56 0.04 -1.02 -4.89 135.00 136.03 1ukx s PRO 45 Ca 0.45 0.34 -0.21 0.00 0.04 0.00 0.00 61.00 61.61 1ukx s PRO 45 Cb -0.16 -4.46 -0.10 0.00 0.04 0.00 0.00 34.50 29.82 1ukx s PRO 45 CO 0.07 -2.72 1.00 -2.00 0.04 0.00 0.00 177.00 173.39 1ukx s GLU 46 N 6.81 4.08 0.20 4.56 2.12 -1.26 -4.31 118.70 130.89 1ukx s GLU 46 Ca 0.62 1.28 -0.01 0.00 0.36 0.00 0.00 54.97 57.22 1ukx s GLU 46 Cb -0.11 -2.23 -0.04 0.00 0.26 0.00 0.00 34.13 32.01 1ukx s GLU 46 CO 0.17 -0.18 0.12 0.96 -0.54 0.00 0.00 175.26 175.78 1ukx s ILE 47 N -2.00 0.08 -0.00 -3.70 -5.25 -1.04 -1.10 121.20 108.18 1ukx s ILE 47 Ca 0.63 -1.99 0.03 0.00 -0.99 0.00 0.00 60.65 58.33 1ukx s ILE 47 Cb -0.14 -2.45 -0.01 0.00 2.95 0.00 0.00 42.46 42.81 1ukx s ILE 47 CO 0.18 -0.07 -0.11 0.21 -1.79 0.00 0.00 174.94 173.36 1ukx s ASN 48 N -3.16 1.30 -0.14 4.36 2.47 -0.28 -4.03 114.94 115.46 1ukx s ASN 48 Ca 0.37 -0.23 -0.01 0.00 0.42 0.00 0.00 52.86 53.41 1ukx s ASN 48 Cb 0.07 -0.13 0.03 0.00 -1.45 0.00 0.00 41.25 39.77 1ukx s ASN 48 CO 0.11 0.12 -0.05 -0.76 -3.72 0.00 0.00 177.10 172.79 1ukx s LEU 49 N -0.37 1.29 0.10 3.21 1.43 0.36 -0.60 118.68 124.11 1ukx s LEU 49 Ca 0.04 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.37 1ukx s LEU 49 Cb -0.05 -0.81 -0.06 0.00 0.03 0.00 0.00 46.19 45.31 1ukx s LEU 49 CO -0.00 -0.17 1.00 -0.69 0.23 0.00 0.00 176.35 176.72 1ukx s VAL 50 N 1.72 4.43 -0.03 -1.59 1.01 -0.41 -0.43 120.40 125.10 1ukx s VAL 50 Ca 0.03 1.97 0.01 0.00 0.00 0.00 0.00 61.98 63.98 1ukx s VAL 50 Cb -0.14 -4.26 0.02 0.00 0.00 0.00 0.00 36.38 32.00 1ukx s VAL 50 CO -0.08 0.28 -0.03 -0.76 0.00 0.00 0.00 175.10 174.51 1ukx s LEU 51 N 0.14 1.46 0.12 3.92 1.43 -1.06 -4.82 118.68 119.87 1ukx s LEU 51 Ca 0.49 -0.08 0.08 0.00 -1.03 0.00 0.00 54.13 53.59 1ukx s LEU 51 Cb -0.24 -0.31 -0.04 0.00 0.03 0.00 0.00 46.19 45.63 1ukx s LEU 51 CO 0.30 -0.04 -0.19 -0.31 0.23 0.00 0.00 176.35 176.35 1ukx s TYR 52 N 0.66 1.72 0.42 0.29 2.02 -1.26 -3.15 117.35 118.04 1ukx s TYR 52 Ca -0.07 -0.45 -0.24 0.00 -0.37 0.00 0.00 57.07 55.93 1ukx s TYR 52 Cb -0.11 -0.91 -0.08 0.00 -0.40 0.00 0.00 41.96 40.46 1ukx s TYR 52 CO -0.01 0.23 1.17 -1.25 -1.57 0.00 0.00 175.55 174.12 1ukx s PRO 53 N -2.28 3.96 0.42 -1.71 0.04 -1.26 -4.59 135.00 129.59 1ukx s PRO 53 Ca 0.09 1.81 -0.26 0.00 0.04 0.00 0.00 61.00 62.68 1ukx s PRO 53 Cb -0.08 -2.59 -0.09 0.00 0.04 0.00 0.00 34.50 31.78 1ukx s PRO 53 CO 0.05 -0.39 1.39 1.14 0.04 0.00 0.00 177.00 179.22 1ukx s GLN 54 N -2.43 3.89 0.00 4.56 -2.07 -1.25 -2.60 119.66 119.76 1ukx s GLN 54 Ca 0.59 2.34 0.00 0.00 -1.82 0.00 0.00 55.36 56.47 1ukx s GLN 54 Cb -0.30 -2.77 0.00 0.00 -1.09 0.00 0.00 33.01 28.85 1ukx s GLN 54 CO 0.37 -0.62 0.00 0.41 -1.32 0.00 0.00 175.29 174.13 1ukx n GLY 55 N 0.60 2.06 0.23 2.60 0.00 -1.26 -4.73 105.19 104.70 1ukx n GLY 55 Ca 0.04 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 0.10 0.00 0.99 3.38 -1.96 -3.46 115.31 114.36 1ukx h LEU 56 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ukx h LEU 56 Cb 0.00 0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1ukx h LEU 56 CO 0.00 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.60 1ukx n ALA 57 N -2.53 0.00 -2.73 1.53 0.00 -1.07 -3.06 120.51 112.65 1ukx n ALA 57 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.09 1ukx n ALA 57 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 3.77 0.00 0.00 0.00 -1.26 -4.79 105.19 102.90 1ukx n GLY 58 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 5.24 0.00 0.00 1.61 0.00 -1.17 -5.10 120.64 121.22 1ukx n GLU 59 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.54 1ukx n GLU 59 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.85 1ukx n GLU 59 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1ukx n GLU 60 N 0.00 0.00 -1.87 5.31 -0.58 -1.26 -5.02 120.64 117.22 1ukx n GLU 60 Ca 0.00 0.58 -0.02 0.00 -0.42 0.00 0.00 57.16 57.30 1ukx n GLU 60 Cb 0.00 -1.48 -0.01 0.00 -0.57 0.00 0.00 31.44 29.38 1ukx n GLU 60 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1ukx n VAL 61 N -2.13 -7.75 -0.08 2.62 0.31 -1.26 -4.96 118.33 105.08 1ukx n VAL 61 Ca 0.00 1.44 -0.10 0.00 -0.01 0.00 0.00 64.34 65.68 1ukx n VAL 61 Cb 0.00 -4.79 -0.03 0.00 -0.91 0.00 0.00 33.84 28.11 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 2.03 0.39 -4.01 3.52 -1.99 -1.99 -3.44 116.97 111.48 1ukx h TYR 62 Ca -0.16 -0.02 -0.43 0.00 2.00 0.00 0.00 58.73 60.11 1ukx h TYR 62 Cb 0.37 -0.12 -0.30 0.00 2.00 0.00 0.00 36.73 38.68 1ukx h TYR 62 CO 0.00 0.36 -0.79 0.14 -0.00 0.00 0.00 178.16 177.87 1ukx s VAL 63 N -5.73 0.87 0.23 -2.88 -7.23 -1.26 -1.45 120.40 102.94 1ukx s VAL 63 Ca -0.13 -0.45 -0.20 0.00 -1.81 0.00 0.00 61.98 59.39 1ukx s VAL 63 Cb 0.09 -0.74 0.03 0.00 0.56 0.00 0.00 36.38 36.32 1ukx s VAL 63 CO 0.72 0.25 0.63 0.00 -0.31 0.00 0.00 175.10 176.39 1ukx s GLN 64 N -0.11 1.55 0.07 4.82 -2.07 -1.26 -4.23 119.66 118.43 1ukx s GLN 64 Ca 0.02 -0.85 -0.10 0.00 -1.82 0.00 0.00 55.36 52.60 1ukx s GLN 64 Cb -0.06 0.57 0.01 0.00 -1.09 0.00 0.00 33.01 32.44 1ukx s GLN 64 CO -0.00 -0.69 0.22 0.54 -1.32 0.00 0.00 175.29 174.04 1ukx s VAL 65 N -3.87 0.12 -0.08 3.63 0.11 -1.19 -2.10 120.40 117.02 1ukx s VAL 65 Ca 0.09 -0.96 -0.21 0.00 -2.93 0.00 0.00 61.98 57.97 1ukx s VAL 65 Cb -0.03 -1.12 -0.04 0.00 -1.53 0.00 0.00 36.38 33.66 1ukx s VAL 65 CO -0.00 -0.53 0.59 -1.61 -3.33 0.00 0.00 175.10 170.22 1ukx s GLU 66 N -3.20 4.38 -0.24 1.54 2.02 -0.44 -2.55 118.70 120.20 1ukx s GLU 66 Ca -0.00 0.67 -0.08 0.00 0.02 0.00 0.00 54.97 55.58 1ukx s GLU 66 Cb 0.02 -3.42 -0.04 0.00 0.10 0.00 0.00 34.13 30.78 1ukx s GLU 66 CO -0.07 0.15 0.10 -1.17 0.02 0.00 0.00 175.26 174.29 1ukx s LEU 67 N 0.56 3.73 -0.14 1.80 0.20 0.43 -1.27 118.68 123.99 1ukx s LEU 67 Ca 0.32 -0.06 0.01 0.00 0.69 0.00 0.00 54.13 55.08 1ukx s LEU 67 Cb -0.17 -2.00 -0.00 0.00 -0.43 0.00 0.00 46.19 43.60 1ukx s LEU 67 CO 0.15 0.02 -0.17 -0.13 -0.29 0.00 0.00 176.35 175.93 1ukx s ARG 68 N 1.30 3.19 0.01 1.98 0.52 0.08 -0.49 118.95 125.55 1ukx s ARG 68 Ca 0.06 -0.77 0.05 0.00 -0.52 0.00 0.00 55.73 54.55 1ukx s ARG 68 Cb -0.15 -2.55 -0.02 0.00 0.52 0.00 0.00 34.95 32.75 1ukx s ARG 68 CO 0.05 0.06 -0.17 0.08 0.02 0.00 0.00 175.30 175.35 1ukx s VAL 69 N 0.68 1.32 -0.03 3.52 1.01 -1.26 -1.97 120.40 123.67 1ukx s VAL 69 Ca -0.08 -0.87 0.15 0.00 0.00 0.00 0.00 61.98 61.18 1ukx s VAL 69 Cb -0.16 -1.13 -0.23 0.00 0.00 0.00 0.00 36.38 34.86 1ukx s VAL 69 CO 0.02 0.25 0.33 2.29 0.00 0.00 0.00 175.10 177.99 1ukx n LYS 70 N 2.32 0.48 -2.35 2.72 -0.00 -1.26 -2.49 118.16 117.58 1ukx n LYS 70 Ca -0.16 -0.14 -0.01 0.00 -0.00 0.00 0.00 58.31 58.01 1ukx n LYS 70 Cb 0.54 -1.36 -0.01 0.00 -0.00 0.00 0.00 35.03 34.21 1ukx n LYS 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ukx s PRO 72 N -0.26 0.56 0.00 0.00 0.04 -1.26 -4.48 135.00 129.60 1ukx s PRO 72 Ca -0.03 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1ukx s PRO 72 Cb 0.00 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.85 1ukx s PRO 72 CO 0.09 -2.87 0.35 -0.35 0.04 0.00 0.00 177.00 174.27 1ukx n PRO 73 N -4.38 0.43 0.00 0.56 -0.04 -1.26 -1.87 135.00 128.45 1ukx n PRO 73 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1ukx n PRO 73 Cb 0.53 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 32.91 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 -0.21 0.00 -1.77 0.52 -2.24 -1.26 -4.93 114.28 104.38 1ukx n THR 74 Ca 0.00 -0.15 -0.40 0.00 -2.27 0.00 0.00 64.05 61.23 1ukx n THR 74 Cb 0.04 0.77 0.01 0.00 -2.10 0.00 0.00 70.33 69.05 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 -0.53 2.47 -1.97 4.78 6.14 -0.78 -0.54 117.35 126.91 1ukx s TYR 75 Ca 0.00 1.21 0.06 0.00 0.64 0.00 0.00 57.07 58.98 1ukx s TYR 75 Cb 0.00 -3.99 0.16 0.00 0.42 0.00 0.00 41.96 38.56 1ukx s TYR 75 CO 0.00 -3.05 1.13 -0.35 0.64 0.00 0.00 175.55 173.92 1ukx n PRO 76 N 0.02 1.44 0.24 4.97 -0.04 -1.26 -4.77 135.00 135.60 1ukx n PRO 76 Ca 0.04 -0.66 0.09 0.00 -0.04 0.00 0.00 63.50 62.93 1ukx n PRO 76 Cb 0.41 -1.16 0.62 0.00 -0.04 0.00 0.00 33.50 33.34 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 1.07 0.00 -4.07 3.54 3.58 -1.11 -1.78 116.42 117.65 1ukx h ASP 77 Ca 0.00 0.00 -0.41 0.00 0.42 0.00 0.00 57.03 57.04 1ukx h ASP 77 Cb 0.26 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 41.13 1ukx h ASP 77 CO 0.00 0.16 -0.76 0.68 -2.88 0.00 0.00 179.24 176.45 1ukx s VAL 78 N -4.34 1.30 0.10 2.25 -7.23 -1.24 -4.62 120.40 106.61 1ukx s VAL 78 Ca -0.03 -1.72 -0.31 0.00 -1.81 0.00 0.00 61.98 58.11 1ukx s VAL 78 Cb 0.14 -1.53 -0.09 0.00 0.56 0.00 0.00 36.38 35.47 1ukx s VAL 78 CO 0.63 -0.43 1.61 0.68 -0.31 0.00 0.00 175.10 177.27 1ukx s VAL 79 N -2.19 2.95 0.71 1.32 -7.23 -1.26 -4.38 120.40 110.32 1ukx s VAL 79 Ca 0.09 0.52 -0.11 0.00 -1.81 0.00 0.00 61.98 60.66 1ukx s VAL 79 Cb -0.05 -3.33 0.02 0.00 0.56 0.00 0.00 36.38 33.58 1ukx s VAL 79 CO 0.03 0.01 1.07 -2.16 -0.31 0.00 0.00 175.10 173.74 1ukx s PRO 80 N 2.11 2.83 0.47 4.82 0.04 -1.26 -4.93 135.00 139.08 1ukx s PRO 80 Ca 0.72 0.72 -0.23 0.00 0.04 0.00 0.00 61.00 62.24 1ukx s PRO 80 Cb -0.40 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.07 1ukx s PRO 80 CO 0.32 -1.12 1.21 -1.21 0.04 0.00 0.00 177.00 176.24 1ukx s GLU 81 N -5.17 3.68 -0.21 4.56 8.01 -1.26 -4.98 118.70 123.33 1ukx s GLU 81 Ca 0.58 1.90 -0.04 0.00 0.01 0.00 0.00 54.97 57.42 1ukx s GLU 81 Cb -0.13 -2.42 0.07 0.00 -4.31 0.00 0.00 34.13 27.34 1ukx s GLU 81 CO 0.54 -0.65 0.09 0.42 0.01 0.00 0.00 175.26 175.66 1ukx s ILE 82 N -1.47 0.10 -0.13 -1.63 1.01 -1.26 -4.08 121.20 113.74 1ukx s ILE 82 Ca 0.64 -0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.87 1ukx s ILE 82 Cb -0.32 -0.81 -0.00 0.00 0.01 0.00 0.00 42.46 41.34 1ukx s ILE 82 CO 0.38 -0.38 -0.19 -1.81 0.00 0.00 0.00 174.94 172.94 1ukx s ASP 83 N 2.04 3.40 -0.13 3.58 1.01 -0.83 -5.00 116.67 120.75 1ukx s ASP 83 Ca 0.03 -0.51 -0.02 0.00 0.71 0.00 0.00 52.55 52.77 1ukx s ASP 83 Cb -0.16 -1.49 -0.02 0.00 1.01 0.00 0.00 42.92 42.25 1ukx s ASP 83 CO -0.15 0.12 -0.07 -0.76 0.21 0.00 0.00 175.17 174.52 1ukx s LEU 84 N 0.59 3.10 0.20 1.23 1.02 -1.26 -0.74 118.68 122.81 1ukx s LEU 84 Ca -0.11 -0.15 -0.04 0.00 0.02 0.00 0.00 54.13 53.85 1ukx s LEU 84 Cb -0.16 -1.72 -0.03 0.00 0.02 0.00 0.00 46.19 44.30 1ukx s LEU 84 CO 0.03 0.21 0.20 -0.54 0.02 0.00 0.00 176.35 176.27 1ukx s LYS 85 N 0.09 1.23 -1.27 1.70 -0.14 -0.39 -4.94 119.74 116.02 1ukx s LYS 85 Ca -0.02 -1.51 -0.07 0.00 -1.36 0.00 0.00 55.97 53.02 1ukx s LYS 85 Cb -0.14 0.31 0.05 0.00 -1.68 0.00 0.00 37.83 36.37 1ukx s LYS 85 CO 0.03 -0.43 0.40 0.09 -0.76 0.00 0.00 175.35 174.68 1ukx n ASN 86 N -0.27 -4.10 -4.61 2.83 3.02 -1.26 -1.33 115.26 109.54 1ukx n ASN 86 Ca -0.00 -0.24 -0.33 0.00 -0.03 0.00 0.00 54.58 53.97 1ukx n ASN 86 Cb 0.65 -3.40 0.12 0.00 -0.61 0.00 0.00 39.78 36.54 1ukx n ASN 86 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ukx n ALA 87 N -3.23 -0.76 -1.89 5.41 0.00 -1.26 -4.39 120.51 114.39 1ukx n ALA 87 Ca -0.06 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1ukx n ALA 87 Cb 0.57 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1ukx n ALA 87 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ukx n LYS 88 N -2.77 0.00 0.26 0.00 4.81 -0.89 -4.32 118.16 115.25 1ukx n LYS 88 Ca 0.12 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.63 1ukx n LYS 88 Cb 0.51 0.00 0.40 0.00 0.02 0.00 0.00 35.03 35.96 1ukx n LYS 88 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1ukx h GLY 89 N 0.00 0.00 0.47 3.14 0.00 -1.52 0.11 103.07 105.27 1ukx h GLY 89 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 1ukx h GLY 89 CO 0.00 0.00 -1.91 1.04 0.00 0.00 0.00 176.54 175.67 1ukx n LEU 90 N -2.42 0.42 -3.54 3.11 4.77 -1.26 -4.96 117.00 113.12 1ukx n LEU 90 Ca -0.01 0.19 -0.23 0.00 -0.03 0.00 0.00 56.01 55.93 1ukx n LEU 90 Cb 0.55 0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.85 1ukx n LEU 90 CO 0.06 0.29 -0.08 -0.24 -1.33 0.00 0.00 177.39 176.10 1ukx n SER 91 N -2.77 -1.92 0.00 -1.43 2.88 0.39 -0.27 113.62 110.50 1ukx n SER 91 Ca -0.19 -0.42 0.00 0.00 -1.33 0.00 0.00 58.87 56.93 1ukx n SER 91 Cb 0.95 -1.69 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 1ukx n SER 91 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1ukx n ASN 92 N -2.07 -1.78 0.00 -3.46 2.85 -1.26 -5.02 115.26 104.53 1ukx n ASN 92 Ca 0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.52 1ukx n ASN 92 Cb 0.49 -0.30 0.00 0.00 1.24 0.00 0.00 39.78 41.21 1ukx n ASN 92 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1ukx n GLU 93 N -2.59 0.00 0.00 1.20 1.02 0.63 -4.51 120.64 116.38 1ukx n GLU 93 Ca 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.22 1ukx n GLU 93 Cb 0.00 -0.00 0.45 0.00 -0.02 0.00 0.00 31.44 31.87 1ukx n GLU 93 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1ukx n SER 94 N 0.00 0.00 -0.21 1.62 3.41 -1.26 -1.52 113.62 115.65 1ukx n SER 94 Ca 0.00 -0.48 0.02 0.00 -0.26 0.00 0.00 58.87 58.15 1ukx n SER 94 Cb 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.07 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 0.56 -0.40 -3.33 2.07 -1.87 -2.00 116.25 111.29 1ukx h VAL 95 Ca 0.00 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1ukx h VAL 95 Cb 0.00 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 1ukx h VAL 95 CO 0.00 0.04 0.17 0.78 0.02 0.00 0.00 177.57 178.58 1ukx h ASN 96 N 0.22 0.50 0.67 0.57 2.35 -1.51 0.17 115.58 118.54 1ukx h ASN 96 Ca 0.34 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 56.01 1ukx h ASN 96 Cb 0.54 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 38.79 1ukx h ASN 96 CO -0.47 0.45 -0.32 0.25 -1.65 0.00 0.00 177.43 175.69 1ukx h LEU 97 N 0.56 -0.76 -1.24 1.61 6.46 -1.59 -3.03 115.31 117.32 1ukx h LEU 97 Ca 0.14 -0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.92 1ukx h LEU 97 Cb 0.10 0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.18 1ukx h LEU 97 CO -0.02 -0.40 0.52 0.25 -0.62 0.00 0.00 178.44 178.18 1ukx h LEU 98 N -1.16 0.87 -0.05 2.25 5.85 -1.09 -1.21 115.31 120.78 1ukx h LEU 98 Ca -0.09 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.63 1ukx h LEU 98 Cb 0.72 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1ukx h LEU 98 CO 0.15 0.61 -0.06 0.50 -0.34 0.00 0.00 178.44 179.30 1ukx h LYS 99 N 1.02 -0.08 -0.84 1.25 3.64 -1.01 0.57 116.57 121.10 1ukx h LYS 99 Ca 0.30 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.76 1ukx h LYS 99 Cb -0.04 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.74 1ukx h LYS 99 CO -0.08 -0.06 0.52 0.77 -2.27 0.00 0.00 179.45 178.33 1ukx h SER 100 N -0.09 0.80 -0.33 4.20 0.02 -1.22 0.47 113.55 117.40 1ukx h SER 100 Ca 0.04 0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.92 1ukx h SER 100 Cb 0.15 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1ukx h SER 100 CO -0.10 0.50 -0.13 0.45 -1.14 0.00 0.00 176.83 176.41 1ukx h HIS 101 N 0.93 0.85 -0.21 3.45 3.86 -0.16 0.11 115.15 123.98 1ukx h HIS 101 Ca 0.37 -0.16 -0.06 0.00 -1.16 0.00 0.00 60.37 59.36 1ukx h HIS 101 Cb 0.20 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 1ukx h HIS 101 CO -0.04 0.85 -0.10 -0.07 0.86 0.00 0.00 177.93 179.43 1ukx h LEU 102 N 0.69 0.45 -1.32 2.43 3.38 -0.70 0.11 115.31 120.35 1ukx h LEU 102 Ca 0.11 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 57.70 1ukx h LEU 102 Cb 0.61 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1ukx h LEU 102 CO 0.04 0.76 0.47 -0.33 0.09 0.00 0.00 178.44 179.47 1ukx h GLU 103 N 0.13 0.87 0.09 1.13 5.08 -0.54 -0.53 114.58 120.81 1ukx h GLU 103 Ca 0.05 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.14 1ukx h GLU 103 Cb 0.59 -0.20 0.02 0.00 0.50 0.00 0.00 28.75 29.67 1ukx h GLU 103 CO 0.03 0.58 -0.88 0.93 -1.00 0.00 0.00 179.01 178.67 1ukx h GLU 104 N 0.90 0.44 -0.94 2.33 4.39 -0.70 -3.24 114.58 117.76 1ukx h GLU 104 Ca 0.28 -0.59 0.17 0.00 0.34 0.00 0.00 59.36 59.56 1ukx h GLU 104 Cb 0.00 0.20 -0.08 0.00 -0.10 0.00 0.00 28.75 28.77 1ukx h GLU 104 CO -0.07 1.24 0.60 1.25 -1.16 0.00 0.00 179.01 180.87 1ukx h LEU 105 N -0.08 0.68 -0.67 1.33 5.85 -0.48 -0.67 115.31 121.26 1ukx h LEU 105 Ca -0.13 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.70 1ukx h LEU 105 Cb 1.62 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.52 1ukx h LEU 105 CO 0.17 0.30 0.37 0.00 -0.34 0.00 0.00 178.44 178.94 1ukx h ALA 106 N 1.61 0.89 0.00 1.25 0.00 -1.12 -1.10 119.26 120.78 1ukx h ALA 106 Ca 0.50 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1ukx h ALA 106 Cb 0.84 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1ukx h ALA 106 CO -0.26 0.06 0.00 0.87 0.00 0.00 0.00 179.25 179.92 1ukx h LYS 107 N 0.70 0.00 -0.02 0.00 6.56 -1.18 -1.95 116.57 120.67 1ukx h LYS 107 Ca 0.30 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.89 1ukx h LYS 107 Cb 0.17 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.83 1ukx h LYS 107 CO -0.17 0.00 -0.10 1.63 -2.06 0.00 0.00 179.45 178.75 1ukx n LYS 108 N -3.03 1.81 0.00 3.15 5.02 -0.46 -4.14 118.16 120.52 1ukx n LYS 108 Ca -0.01 -1.35 0.00 0.00 -2.02 0.00 0.00 58.31 54.93 1ukx n LYS 108 Cb 0.20 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 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 0.59 1.79 -2.54 1.97 1.13 -0.79 -5.08 117.38 114.44 1ukx n GLN 109 Ca 0.15 -1.10 -0.40 0.00 -1.94 0.00 0.00 57.00 53.71 1ukx n GLN 109 Cb 0.48 -0.81 -0.05 0.00 0.11 0.00 0.00 30.24 29.97 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 1.33 2.20 2.80 0.00 0.00 -0.67 -5.04 105.19 105.81 1ukx n GLY 111 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.36 0.40 -2.26 1.61 0.28 -1.24 -4.74 120.64 114.34 1ukx n GLU 112 Ca 0.00 -2.79 -0.43 0.00 -0.16 0.00 0.00 57.16 53.78 1ukx n GLU 112 Cb 0.00 2.36 -0.02 0.00 1.43 0.00 0.00 31.44 35.21 1ukx n GLU 112 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1ukx s VAL 113 N -3.09 3.94 -0.50 3.84 -7.23 -1.26 -4.79 120.40 111.31 1ukx s VAL 113 Ca 0.33 1.09 0.11 0.00 -1.81 0.00 0.00 61.98 61.70 1ukx s VAL 113 Cb 0.01 -3.87 -0.13 0.00 0.56 0.00 0.00 36.38 32.96 1ukx s VAL 113 CO 0.23 -0.28 0.47 1.15 -0.31 0.00 0.00 175.10 176.36 1ukx n MET 114 N 7.26 3.01 -0.30 4.82 0.00 -1.26 -4.68 117.12 125.97 1ukx n MET 114 Ca 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 57.70 57.84 1ukx n MET 114 Cb 0.45 -1.06 0.16 0.00 0.00 0.00 0.00 33.22 32.77 1ukx n MET 114 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1ukx h ILE 115 N 0.00 1.23 -0.82 3.17 2.04 -1.98 -0.84 117.51 120.31 1ukx h ILE 115 Ca 0.00 -0.49 0.04 0.00 1.00 0.00 0.00 64.86 65.41 1ukx h ILE 115 Cb 0.29 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.32 1ukx h ILE 115 CO 0.00 0.24 0.52 -0.26 0.00 0.00 0.00 178.15 178.65 1ukx h PHE 116 N 1.18 0.98 -0.48 1.37 -1.00 -1.99 0.88 116.94 117.87 1ukx h PHE 116 Ca 0.31 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 61.09 1ukx h PHE 116 Cb -0.07 -0.32 -0.02 0.00 3.61 0.00 0.00 35.95 39.15 1ukx h PHE 116 CO 0.00 0.55 0.17 1.49 -1.61 0.00 0.00 178.31 178.92 1ukx h GLU 117 N 1.00 0.73 0.21 1.51 4.22 -1.51 -0.58 114.58 120.17 1ukx h GLU 117 Ca 0.34 -0.14 -0.01 0.00 0.08 0.00 0.00 59.36 59.62 1ukx h GLU 117 Cb 0.04 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1ukx h GLU 117 CO -0.13 0.67 -0.10 -0.07 -2.18 0.00 0.00 179.01 177.21 1ukx h LEU 118 N 0.64 -0.24 -0.35 1.64 3.38 -0.32 0.14 115.31 120.21 1ukx h LEU 118 Ca 0.16 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.16 1ukx h LEU 118 Cb 0.23 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1ukx h LEU 118 CO -0.01 -0.15 0.11 0.00 0.09 0.00 0.00 178.44 178.49 1ukx h ALA 119 N 0.49 0.40 -0.16 1.53 0.00 -0.80 -0.52 119.26 120.20 1ukx h ALA 119 Ca -0.03 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1ukx h ALA 119 Cb 0.23 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1ukx h ALA 119 CO 0.05 -0.28 -0.06 0.45 0.00 0.00 0.00 179.25 179.40 1ukx h HIS 120 N 0.25 -0.15 -0.35 0.00 3.86 -0.88 -2.28 115.15 115.60 1ukx h HIS 120 Ca 0.16 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.36 1ukx h HIS 120 Cb 0.15 0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 1ukx h HIS 120 CO -0.15 -0.11 0.10 1.25 0.86 0.00 0.00 177.93 179.88 1ukx h HIS 121 N -0.04 0.51 0.24 2.45 6.17 -0.11 0.49 115.15 124.86 1ukx h HIS 121 Ca 0.09 -0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.13 1ukx h HIS 121 Cb 0.17 -0.16 0.00 0.00 2.52 0.00 0.00 27.41 29.94 1ukx h HIS 121 CO -0.21 0.44 -0.11 0.28 0.71 0.00 0.00 177.93 179.04 1ukx h VAL 122 N 0.51 0.77 -0.95 5.26 2.07 -0.94 0.06 116.25 123.02 1ukx h VAL 122 Ca 0.12 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.62 1ukx h VAL 122 Cb 0.18 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 1ukx h VAL 122 CO -0.01 0.01 0.63 1.56 0.02 0.00 0.00 177.57 179.78 1ukx h GLN 123 N -0.34 1.21 0.10 1.57 4.20 -0.57 0.11 115.11 121.39 1ukx h GLN 123 Ca -0.03 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 1ukx h GLN 123 Cb 0.26 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1ukx h GLN 123 CO 0.05 0.80 -0.05 0.77 -0.67 0.00 0.00 178.83 179.74 1ukx h SER 124 N 1.25 -0.11 -0.38 1.46 0.02 -0.91 -1.97 113.55 112.91 1ukx h SER 124 Ca 0.36 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.30 1ukx h SER 124 Cb -0.08 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 1ukx h SER 124 CO -0.10 -0.08 0.17 0.15 -1.14 0.00 0.00 176.83 175.83 1ukx h PHE 125 N -0.13 0.56 -0.06 3.45 3.57 -0.14 -1.96 116.94 122.22 1ukx h PHE 125 Ca -0.01 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.47 1ukx h PHE 125 Cb 0.10 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1ukx h PHE 125 CO -0.07 0.49 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.39 1ukx h LEU 126 N 0.47 -0.11 -1.03 0.59 3.38 -0.82 -1.88 115.31 115.91 1ukx h LEU 126 Ca 0.13 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.23 1ukx h LEU 126 Cb 0.15 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.89 1ukx h LEU 126 CO -0.01 -0.05 0.63 0.77 0.09 0.00 0.00 178.44 179.87 1ukx h SER 127 N -0.03 0.94 -0.57 -0.43 4.64 -0.94 -0.51 113.55 116.64 1ukx h SER 127 Ca 0.04 0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 61.31 1ukx h SER 127 Cb 0.09 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 1ukx h SER 127 CO -0.08 0.53 0.02 -0.08 -0.87 0.00 0.00 176.83 176.34 1ukx h GLU 128 N 1.02 1.02 0.00 4.77 4.22 -0.60 0.16 114.58 125.17 1ukx h GLU 128 Ca 0.48 -0.31 0.00 0.00 0.08 0.00 0.00 59.36 59.61 1ukx h GLU 128 Cb 0.41 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1ukx h GLU 128 CO -0.24 0.99 -0.12 0.45 -2.18 0.00 0.00 179.01 177.92 1ukx h HIS 129 N 0.94 0.00 0.11 0.92 3.86 -1.18 -3.38 115.15 116.41 1ukx h HIS 129 Ca 0.17 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.16 1ukx h HIS 129 Cb 0.52 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1ukx h HIS 129 CO 0.04 0.00 -1.09 -0.97 0.86 0.00 0.00 177.93 176.76 1ukx h ASN 130 N 0.00 0.35 -3.92 2.45 -0.73 0.18 -3.44 115.58 110.47 1ukx h ASN 130 Ca 0.00 -0.87 -0.50 0.00 1.87 0.00 0.00 56.30 56.79 1ukx h ASN 130 Cb 0.84 -0.11 0.04 0.00 0.27 0.00 0.00 38.32 39.36 1ukx h ASN 130 CO 0.00 1.49 0.49 -1.59 -0.37 0.00 0.00 177.43 177.45 1ukx s LYS 131 N -2.43 4.18 0.00 6.67 0.00 0.42 -4.96 119.74 123.62 1ukx s LYS 131 Ca -0.18 1.81 0.00 0.00 0.00 0.00 0.00 55.97 57.59 1ukx s LYS 131 Cb 0.03 -2.76 0.00 0.00 0.00 0.00 0.00 37.83 35.10 1ukx s LYS 131 CO 0.77 -0.20 0.00 0.43 0.00 0.00 0.00 175.35 176.35 1ukx n SER 132 N 0.27 0.00 -4.66 0.03 7.64 -1.26 -4.87 113.62 110.78 1ukx n SER 132 Ca 0.03 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.57 1ukx n SER 132 Cb 0.46 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.77 1ukx n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ukx n GLY 133 N 0.00 -0.19 3.68 0.23 0.00 -1.26 -5.00 105.19 102.64 1ukx n GLY 133 Ca 0.00 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.75 0.45 0.00 1.61 0.04 -1.26 -5.02 135.00 127.08 1ukx s PRO 134 Ca 0.74 0.53 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1ukx s PRO 134 Cb -0.32 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1ukx s PRO 134 CO 0.50 -2.72 0.00 -1.13 0.04 0.00 0.00 177.00 173.69 1ukx n SER 135 N -4.17 2.92 -3.33 6.66 3.41 -1.26 -5.11 113.62 112.73 1ukx n SER 135 Ca 0.05 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.56 1ukx n SER 135 Cb 0.57 0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.56 1ukx n SER 135 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ukx s SER 136 N -3.48 0.27 0.00 4.04 0.15 -1.26 -5.35 113.70 108.06 1ukx s SER 136 Ca 0.00 -1.16 0.00 0.00 0.70 0.00 0.00 55.95 55.49 1ukx s SER 136 Cb 0.00 0.73 0.00 0.00 -1.71 0.00 0.00 66.02 65.04 1ukx s SER 136 CO 0.00 -1.42 0.00 0.61 1.20 0.00 0.00 173.24 173.63