#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 1.06 -0.07 1.61 7.64 -1.26 -4.91 113.62 117.69 1ukx n SER 2 Ca 0.00 1.14 -0.15 0.00 1.01 0.00 0.00 58.87 60.87 1ukx n SER 2 Cb 0.00 -1.03 -0.14 0.00 -1.01 0.00 0.00 64.21 62.04 1ukx n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ukx n SER 3 N 2.83 1.39 0.00 6.43 7.64 -1.26 -5.00 113.62 125.65 1ukx n SER 3 Ca 0.22 0.09 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1ukx n SER 3 Cb 0.09 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 1ukx n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ukx n GLY 4 N 1.95 1.12 2.51 0.23 0.00 -1.26 -4.67 105.19 105.06 1ukx n GLY 4 Ca -0.34 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.50 1ukx n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ukx n SER 5 N 2.46 -4.92 -4.60 1.61 2.88 -1.26 -4.95 113.62 104.85 1ukx n SER 5 Ca 0.00 -0.12 -0.47 0.00 -1.33 0.00 0.00 58.87 56.96 1ukx n SER 5 Cb 0.00 -3.91 -0.05 0.00 -0.75 0.00 0.00 64.21 59.51 1ukx n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ukx n SER 6 N -1.28 3.13 -2.65 -3.46 2.88 -1.26 -4.96 113.62 106.01 1ukx n SER 6 Ca -0.14 0.58 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 1ukx n SER 6 Cb 0.62 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 1ukx n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ukx n GLY 7 N 5.39 -1.39 2.50 0.46 0.00 -1.26 -4.81 105.19 106.08 1ukx n GLY 7 Ca 0.29 -1.58 -0.08 0.00 0.00 0.00 0.00 46.02 44.65 1ukx n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ukx n MET 8 N -0.60 -1.28 -0.34 1.61 2.00 -1.26 -4.92 117.12 112.32 1ukx n MET 8 Ca 0.00 0.51 0.19 0.00 0.00 0.00 0.00 57.70 58.40 1ukx n MET 8 Cb 0.00 -3.99 0.42 0.00 0.00 0.00 0.00 33.22 29.65 1ukx n MET 8 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 175.97 177.02 1ukx h GLU 9 N -0.60 0.50 -1.45 0.03 4.11 -2.02 -3.38 114.58 111.76 1ukx h GLU 9 Ca -0.34 -0.03 0.06 0.00 0.07 0.00 0.00 59.36 59.12 1ukx h GLU 9 Cb 1.17 -0.11 -0.22 0.00 0.50 0.00 0.00 28.75 30.09 1ukx h GLU 9 CO 0.25 0.33 -0.25 0.45 0.07 0.00 0.00 179.01 179.87 1ukx s SER 10 N -5.15 -1.13 0.40 3.06 0.15 -1.26 -5.06 113.70 104.71 1ukx s SER 10 Ca -0.10 1.05 0.07 0.00 0.70 0.00 0.00 55.95 57.67 1ukx s SER 10 Cb 0.27 2.09 0.85 0.00 -1.71 0.00 0.00 66.02 67.53 1ukx s SER 10 CO 0.80 -0.25 2.04 1.88 1.20 0.00 0.00 173.24 178.91 1ukx h TYR 11 N 8.02 0.55 -0.42 3.44 0.05 -1.90 -2.81 116.97 123.91 1ukx h TYR 11 Ca -0.21 0.01 0.05 0.00 0.05 0.00 0.00 58.73 58.63 1ukx h TYR 11 Cb 1.14 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.67 1ukx h TYR 11 CO 0.13 0.33 0.28 0.66 -1.05 0.00 0.00 178.16 178.51 1ukx h SER 12 N 0.58 0.33 0.01 3.88 4.64 -1.95 -2.09 113.55 118.95 1ukx h SER 12 Ca 0.18 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1ukx h SER 12 Cb -0.00 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1ukx h SER 12 CO -0.04 0.22 -0.01 1.56 -0.87 0.00 0.00 176.83 177.70 1ukx h GLN 13 N 0.38 -0.02 -0.97 4.77 4.20 -1.93 -1.04 115.11 120.50 1ukx h GLN 13 Ca 0.18 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.91 1ukx h GLN 13 Cb 0.22 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.96 1ukx h GLN 13 CO -0.04 0.02 0.64 0.00 -0.67 0.00 0.00 178.83 178.78 1ukx h ARG 14 N -0.05 1.25 0.50 1.46 3.08 -1.54 0.46 114.38 119.54 1ukx h ARG 14 Ca -0.00 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1ukx h ARG 14 Cb 0.05 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 1ukx h ARG 14 CO 0.00 0.83 -0.38 1.96 -1.07 0.00 0.00 179.97 181.31 1ukx h GLN 15 N 1.29 -0.83 -0.34 0.04 4.20 -1.10 -0.94 115.11 117.43 1ukx h GLN 15 Ca 0.37 0.06 -0.08 0.00 0.06 0.00 0.00 58.65 59.05 1ukx h GLN 15 Cb -0.10 0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1ukx h GLN 15 CO -0.09 -0.56 -0.14 0.22 -0.67 0.00 0.00 178.83 177.59 1ukx h ASP 16 N -0.87 0.58 -0.13 1.46 1.82 -0.82 0.28 116.42 118.75 1ukx h ASP 16 Ca -0.05 -0.16 0.04 0.00 -0.39 0.00 0.00 57.03 56.46 1ukx h ASP 16 Cb 0.74 -0.16 -0.04 0.00 0.68 0.00 0.00 39.33 40.55 1ukx h ASP 16 CO 0.01 0.74 -0.11 0.45 -1.61 0.00 0.00 179.24 178.71 1ukx h HIS 17 N 0.54 -0.28 0.00 0.28 3.86 -0.85 -1.12 115.15 117.58 1ukx h HIS 17 Ca 0.09 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.28 1ukx h HIS 17 Cb 0.55 0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.16 1ukx h HIS 17 CO 0.02 -0.17 -0.20 1.49 0.86 0.00 0.00 177.93 179.94 1ukx h GLU 18 N -0.13 0.00 0.18 2.45 4.57 -0.55 -1.07 114.58 120.03 1ukx h GLU 18 Ca 0.08 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 1ukx h GLU 18 Cb 0.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1ukx h GLU 18 CO -0.21 0.20 -0.09 -0.07 -1.18 0.00 0.00 179.01 177.66 1ukx h LEU 19 N 0.00 -0.21 -1.42 1.64 3.38 -0.68 -0.44 115.31 117.58 1ukx h LEU 19 Ca -0.00 -0.29 0.14 0.00 0.09 0.00 0.00 57.88 57.81 1ukx h LEU 19 Cb 0.95 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.69 1ukx h LEU 19 CO 0.03 0.22 0.54 1.56 0.09 0.00 0.00 178.44 180.87 1ukx h GLN 20 N -0.69 0.56 -0.18 1.13 4.20 -1.07 -0.60 115.11 118.47 1ukx h GLN 20 Ca -0.03 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 1ukx h GLN 20 Cb 0.49 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 1ukx h GLN 20 CO 0.04 0.37 -0.11 0.00 -0.67 0.00 0.00 178.83 178.46 1ukx h ALA 21 N 1.62 0.25 0.00 3.87 0.00 -1.14 -3.19 119.26 120.67 1ukx h ALA 21 Ca 0.40 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1ukx h ALA 21 Cb 0.73 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1ukx h ALA 21 CO -0.16 0.10 -0.13 -0.07 0.00 0.00 0.00 179.25 178.99 1ukx h LEU 22 N 0.06 0.00 -0.95 0.00 3.38 0.36 -1.76 115.31 116.40 1ukx h LEU 22 Ca 0.04 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1ukx h LEU 22 Cb 0.61 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1ukx h LEU 22 CO 0.03 0.13 -0.04 -0.08 0.09 0.00 0.00 178.44 178.58 1ukx h GLU 23 N 0.00 0.73 -0.16 1.13 4.81 -1.16 -0.43 114.58 119.50 1ukx h GLU 23 Ca -0.00 -0.20 -0.17 0.00 -0.13 0.00 0.00 59.36 58.86 1ukx h GLU 23 Cb 0.28 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1ukx h GLU 23 CO 0.02 0.76 -0.59 0.00 -0.73 0.00 0.00 179.01 178.47 1ukx h ALA 24 N 1.29 0.67 0.04 2.92 0.00 -1.33 -2.11 119.26 120.73 1ukx h ALA 24 Ca 0.13 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1ukx h ALA 24 Cb 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ukx h ALA 24 CO 0.02 0.70 -0.02 0.82 0.00 0.00 0.00 179.25 180.78 1ukx h ILE 25 N 0.39 0.00 0.11 0.00 1.08 -1.27 -3.41 117.51 114.41 1ukx h ILE 25 Ca -0.00 -0.66 -0.33 0.00 -0.39 0.00 0.00 64.86 63.48 1ukx h ILE 25 Cb 1.14 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 1ukx h ILE 25 CO 0.11 0.00 -1.74 1.88 -0.69 0.00 0.00 178.15 177.71 1ukx h TYR 26 N -0.71 0.43 0.00 1.37 0.05 -1.22 -3.48 116.97 113.41 1ukx h TYR 26 Ca -0.00 -0.32 0.00 0.00 0.05 0.00 0.00 58.73 58.46 1ukx h TYR 26 Cb 0.04 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.76 1ukx h TYR 26 CO 0.00 1.49 0.00 0.41 -1.05 0.00 0.00 178.16 179.02 1ukx n GLY 27 N 1.78 0.93 0.05 3.88 0.00 -0.79 -3.82 105.19 107.22 1ukx n GLY 27 Ca -0.23 0.53 0.05 0.00 0.00 0.00 0.00 46.02 46.37 1ukx n GLY 27 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ukx n SER 28 N 2.90 0.20 0.26 1.61 7.64 -1.26 -4.00 113.62 120.97 1ukx n SER 28 Ca 0.00 0.08 0.14 0.00 1.01 0.00 0.00 58.87 60.11 1ukx n SER 28 Cb 0.00 1.38 0.64 0.00 -1.01 0.00 0.00 64.21 65.22 1ukx n SER 28 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1ukx h ASP 29 N 0.00 0.00 -3.29 6.43 5.19 -1.89 -3.42 116.42 119.44 1ukx h ASP 29 Ca -0.14 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 55.68 1ukx h ASP 29 Cb 1.34 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.77 1ukx h ASP 29 CO 0.01 0.10 0.45 0.12 -3.12 0.00 0.00 179.24 176.80 1ukx s PHE 30 N -3.77 3.35 -0.21 4.55 5.36 -1.26 -1.24 117.98 124.76 1ukx s PHE 30 Ca -0.00 1.19 0.02 0.00 -0.96 0.00 0.00 56.93 57.17 1ukx s PHE 30 Cb 0.10 -3.04 0.03 0.00 -0.34 0.00 0.00 43.02 39.78 1ukx s PHE 30 CO 0.58 -0.34 -0.17 -1.14 -1.46 0.00 0.00 175.22 172.69 1ukx s GLN 31 N 2.60 2.71 0.28 10.12 0.74 0.15 -4.96 119.66 131.29 1ukx s GLN 31 Ca 0.36 -1.00 -0.29 0.00 0.05 0.00 0.00 55.36 54.48 1ukx s GLN 31 Cb -0.16 -2.67 -0.10 0.00 1.10 0.00 0.00 33.01 31.19 1ukx s GLN 31 CO 0.09 -0.33 1.21 0.34 -0.55 0.00 0.00 175.29 176.04 1ukx s ASP 32 N 1.23 7.04 0.00 6.67 2.15 -1.26 -0.89 116.67 131.60 1ukx s ASP 32 Ca 0.00 2.42 0.09 0.00 0.43 0.00 0.00 52.55 55.49 1ukx s ASP 32 Cb -0.15 -2.63 0.14 0.00 -0.30 0.00 0.00 42.92 39.98 1ukx s ASP 32 CO -0.10 -0.35 0.95 0.18 -0.17 0.00 0.00 175.17 175.68 1ukx n LEU 33 N 1.39 2.15 -4.68 -1.34 4.77 -0.55 -4.93 117.00 113.81 1ukx n LEU 33 Ca 0.01 -1.39 -0.42 0.00 -0.03 0.00 0.00 56.01 54.18 1ukx n LEU 33 Cb 0.43 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 1ukx n LEU 33 CO 0.56 0.48 1.48 -0.13 -1.33 0.00 0.00 177.39 178.45 1ukx s ARG 34 N -0.85 4.16 -0.04 3.23 0.52 -1.25 -4.87 118.95 119.85 1ukx s ARG 34 Ca 0.14 2.49 0.00 0.00 -0.52 0.00 0.00 55.73 57.84 1ukx s ARG 34 Cb 0.08 -3.86 0.05 0.00 0.52 0.00 0.00 34.95 31.74 1ukx s ARG 34 CO 0.12 -0.86 1.34 -0.35 0.02 0.00 0.00 175.30 175.56 1ukx n PRO 35 N 6.54 1.11 -1.53 3.54 -0.04 -1.26 -4.95 135.00 138.42 1ukx n PRO 35 Ca 0.18 -0.24 -0.29 0.00 -0.04 0.00 0.00 63.50 63.11 1ukx n PRO 35 Cb 0.40 -1.09 -0.12 0.00 -0.04 0.00 0.00 33.50 32.65 1ukx n PRO 35 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ukx n ASP 36 N 0.64 0.75 -0.09 3.54 -0.08 -1.26 -4.81 116.55 115.24 1ukx n ASP 36 Ca 0.05 -0.55 -0.23 0.00 -1.51 0.00 0.00 54.79 52.55 1ukx n ASP 36 Cb 0.57 -1.17 -0.12 0.00 2.34 0.00 0.00 41.12 42.74 1ukx n ASP 36 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ukx n ALA 37 N 12.62 0.90 0.00 -1.67 0.00 -1.26 -4.93 120.51 126.16 1ukx n ALA 37 Ca 0.55 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1ukx n ALA 37 Cb 0.28 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.26 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 -4.14 0.00 0.00 0.00 0.00 -1.26 -5.09 116.66 106.16 1ukx n ARG 38 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.49 1ukx n ARG 38 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.27 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 -0.13 -0.33 7.00 5.14 0.00 -1.26 -5.16 105.19 110.44 1ukx n GLY 39 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1ukx n GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ukx n ARG 40 N 0.00 0.00 -1.66 1.61 0.63 -1.26 -4.64 116.66 111.34 1ukx n ARG 40 Ca 0.00 0.00 -0.49 0.00 -0.92 0.00 0.00 57.85 56.44 1ukx n ARG 40 Cb 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.86 1ukx n ARG 40 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 1ukx n VAL 41 N -1.81 0.17 -1.79 5.15 3.14 -1.26 -4.91 118.33 117.01 1ukx n VAL 41 Ca 0.00 -0.03 -0.39 0.00 -2.96 0.00 0.00 64.34 60.96 1ukx n VAL 41 Cb 0.00 -1.43 0.03 0.00 -1.06 0.00 0.00 33.84 31.37 1ukx n VAL 41 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 1ukx s ARG 42 N 1.83 3.50 0.22 1.45 6.06 -1.26 -5.02 118.95 125.73 1ukx s ARG 42 Ca 0.85 2.36 0.05 0.00 -2.50 0.00 0.00 55.73 56.49 1ukx s ARG 42 Cb -0.78 -2.52 -0.05 0.00 0.06 0.00 0.00 34.95 31.66 1ukx s ARG 42 CO 0.46 -0.94 -0.07 -1.21 -2.50 0.00 0.00 175.30 171.04 1ukx s GLU 43 N -2.60 1.32 0.73 5.12 2.02 -1.26 -5.16 118.70 118.87 1ukx s GLU 43 Ca 0.64 -1.63 -0.11 0.00 0.02 0.00 0.00 54.97 53.90 1ukx s GLU 43 Cb -0.43 -0.84 0.04 0.00 0.10 0.00 0.00 34.13 33.00 1ukx s GLU 43 CO 0.53 0.03 1.11 -1.25 0.02 0.00 0.00 175.26 175.70 1ukx s PRO 44 N -3.76 2.50 -1.31 0.39 0.04 -1.26 -4.94 135.00 126.65 1ukx s PRO 44 Ca 0.25 0.25 -0.18 0.00 0.04 0.00 0.00 61.00 61.36 1ukx s PRO 44 Cb 0.03 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.59 1ukx s PRO 44 CO 0.07 -1.22 1.88 -0.35 0.04 0.00 0.00 177.00 177.41 1ukx n PRO 45 N -3.08 2.93 -2.13 0.56 -0.04 -1.17 -4.94 135.00 127.14 1ukx n PRO 45 Ca 0.07 -3.00 -0.43 0.00 -0.04 0.00 0.00 63.50 60.10 1ukx n PRO 45 Cb 0.59 -3.45 -0.03 0.00 -0.04 0.00 0.00 33.50 30.57 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 4.20 3.89 0.22 0.54 2.12 -1.24 -4.51 118.70 123.93 1ukx s GLU 46 Ca 0.54 1.74 0.05 0.00 0.36 0.00 0.00 54.97 57.65 1ukx s GLU 46 Cb 0.06 -4.00 -0.05 0.00 0.26 0.00 0.00 34.13 30.40 1ukx s GLU 46 CO 0.05 -1.17 -0.04 0.96 -0.54 0.00 0.00 175.26 174.51 1ukx s ILE 47 N 4.87 1.24 -0.18 -3.70 -5.25 -0.62 -1.48 121.20 116.09 1ukx s ILE 47 Ca 0.70 -2.07 -0.01 0.00 -0.99 0.00 0.00 60.65 58.28 1ukx s ILE 47 Cb -0.26 -2.25 0.05 0.00 2.95 0.00 0.00 42.46 42.95 1ukx s ILE 47 CO 0.28 -0.42 -0.02 0.21 -1.79 0.00 0.00 174.94 173.20 1ukx s ASN 48 N -3.31 2.89 -0.31 4.36 2.47 -0.07 -2.85 114.94 118.12 1ukx s ASN 48 Ca 0.26 -0.74 -0.04 0.00 0.42 0.00 0.00 52.86 52.76 1ukx s ASN 48 Cb 0.04 -0.80 0.04 0.00 -1.45 0.00 0.00 41.25 39.08 1ukx s ASN 48 CO 0.08 -0.24 0.05 -0.76 -3.72 0.00 0.00 177.10 172.51 1ukx s LEU 49 N 1.71 3.99 0.59 3.21 1.43 -0.48 -0.67 118.68 128.46 1ukx s LEU 49 Ca -0.00 -1.10 -0.19 0.00 -1.03 0.00 0.00 54.13 51.81 1ukx s LEU 49 Cb -0.16 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 1ukx s LEU 49 CO -0.07 -0.26 1.19 -0.69 0.23 0.00 0.00 176.35 176.74 1ukx s VAL 50 N 1.36 2.76 0.07 -1.59 1.01 -0.38 -0.56 120.40 123.07 1ukx s VAL 50 Ca -0.02 0.46 -0.08 0.00 0.00 0.00 0.00 61.98 62.34 1ukx s VAL 50 Cb -0.19 -3.17 -0.00 0.00 0.00 0.00 0.00 36.38 33.02 1ukx s VAL 50 CO 0.01 -0.11 0.17 -0.76 0.00 0.00 0.00 175.10 174.40 1ukx s LEU 51 N -4.08 1.52 0.23 3.92 1.43 -0.39 -4.83 118.68 116.48 1ukx s LEU 51 Ca 0.76 -0.61 0.02 0.00 -1.03 0.00 0.00 54.13 53.27 1ukx s LEU 51 Cb -0.29 0.92 -0.05 0.00 0.03 0.00 0.00 46.19 46.81 1ukx s LEU 51 CO 0.32 -0.67 0.05 -0.31 0.23 0.00 0.00 176.35 175.98 1ukx s TYR 52 N -3.49 1.47 0.96 0.29 1.51 -1.26 -2.15 117.35 114.67 1ukx s TYR 52 Ca 0.02 -1.09 -0.12 0.00 -1.01 0.00 0.00 57.07 54.87 1ukx s TYR 52 Cb 0.03 -0.86 0.16 0.00 -0.11 0.00 0.00 41.96 41.19 1ukx s TYR 52 CO -0.09 -0.25 1.10 -1.25 -1.11 0.00 0.00 175.55 173.95 1ukx s PRO 53 N -3.97 0.77 3.20 -1.71 0.04 -1.26 -4.58 135.00 127.49 1ukx s PRO 53 Ca 0.33 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.95 1ukx s PRO 53 Cb 0.07 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.84 1ukx s PRO 53 CO 0.10 -2.52 0.00 0.94 0.04 0.00 0.00 177.00 175.57 1ukx n GLN 54 N -4.04 0.00 -1.30 4.56 0.00 -1.26 -2.59 117.38 112.76 1ukx n GLN 54 Ca 0.06 0.00 0.03 0.00 -0.00 0.00 0.00 57.00 57.09 1ukx n GLN 54 Cb 0.57 0.00 0.09 0.00 0.00 0.00 0.00 30.24 30.90 1ukx n GLN 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ukx n GLY 55 N 0.00 2.94 0.07 1.69 0.00 -1.26 -4.84 105.19 103.79 1ukx n GLY 55 Ca 0.00 -1.15 -0.12 0.00 0.00 0.00 0.00 46.02 44.75 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 1.19 -0.01 -2.63 0.99 3.38 -1.85 -3.50 115.31 112.89 1ukx h LEU 56 Ca -0.10 -0.83 -0.05 0.00 0.09 0.00 0.00 57.88 56.99 1ukx h LEU 56 Cb 1.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.25 1ukx h LEU 56 CO 0.11 0.88 -0.91 0.00 0.09 0.00 0.00 178.44 178.61 1ukx n ALA 57 N -2.60 -2.90 -2.62 1.53 0.00 -1.26 -4.31 120.51 108.34 1ukx n ALA 57 Ca -0.09 0.53 -0.05 0.00 0.00 0.00 0.00 53.44 53.84 1ukx n ALA 57 Cb 0.40 -1.71 0.02 0.00 0.00 0.00 0.00 19.45 18.16 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 0.49 0.55 0.00 0.00 0.00 -1.26 -5.03 105.19 99.94 1ukx n GLY 58 Ca 0.02 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.50 0.32 0.00 1.61 2.13 -1.26 -5.14 120.64 116.80 1ukx n GLU 59 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 1ukx n GLU 59 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.23 1ukx n GLU 59 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1ukx n GLU 60 N 0.00 0.00 -0.65 5.31 -0.58 -1.26 -5.05 120.64 118.41 1ukx n GLU 60 Ca 0.00 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.83 1ukx n GLU 60 Cb 0.00 -0.63 -0.02 0.00 -0.57 0.00 0.00 31.44 30.22 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 -0.30 0.00 0.00 2.62 0.24 -1.26 -4.88 118.33 114.75 1ukx n VAL 61 Ca 0.00 0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1ukx n VAL 61 Cb 0.00 -0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 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 -2.50 0.00 -3.91 6.34 4.02 -1.26 -5.07 117.16 114.77 1ukx n TYR 62 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.79 1ukx n TYR 62 Cb 0.30 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.51 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 -0.99 0.08 -0.19 -0.72 -7.23 -1.26 -3.79 120.40 106.30 1ukx s VAL 63 Ca 0.00 -0.62 -0.30 0.00 -1.81 0.00 0.00 61.98 59.25 1ukx s VAL 63 Cb 0.00 -0.28 0.14 0.00 0.56 0.00 0.00 36.38 36.80 1ukx s VAL 63 CO 0.00 -0.34 1.08 0.00 -0.31 0.00 0.00 175.10 175.53 1ukx s GLN 64 N -1.08 0.47 0.11 4.82 1.03 -1.20 -4.18 119.66 119.63 1ukx s GLN 64 Ca -0.12 0.09 -0.10 0.00 0.04 0.00 0.00 55.36 55.28 1ukx s GLN 64 Cb -0.07 0.22 0.00 0.00 0.03 0.00 0.00 33.01 33.19 1ukx s GLN 64 CO 0.00 -0.15 0.24 0.54 -2.54 0.00 0.00 175.29 173.38 1ukx s VAL 65 N -1.18 0.12 -0.15 3.63 0.11 -0.91 -0.70 120.40 121.31 1ukx s VAL 65 Ca 0.01 -1.16 -0.07 0.00 -2.93 0.00 0.00 61.98 57.83 1ukx s VAL 65 Cb -0.01 -1.44 -0.04 0.00 -1.53 0.00 0.00 36.38 33.36 1ukx s VAL 65 CO -0.01 -0.53 0.09 -1.61 -3.33 0.00 0.00 175.10 169.71 1ukx s GLU 66 N -3.88 3.67 -0.27 1.54 2.02 -0.09 -1.26 118.70 120.42 1ukx s GLU 66 Ca 0.08 -0.26 -0.18 0.00 0.02 0.00 0.00 54.97 54.63 1ukx s GLU 66 Cb 0.04 -3.17 -0.02 0.00 0.10 0.00 0.00 34.13 31.07 1ukx s GLU 66 CO -0.08 0.53 0.52 -1.17 0.02 0.00 0.00 175.26 175.07 1ukx s LEU 67 N -0.33 4.08 -0.18 1.80 2.96 0.28 -1.95 118.68 125.34 1ukx s LEU 67 Ca 0.10 0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 54.46 1ukx s LEU 67 Cb -0.12 -2.65 0.00 0.00 0.50 0.00 0.00 46.19 43.92 1ukx s LEU 67 CO 0.01 -0.31 -0.14 -0.13 -1.32 0.00 0.00 176.35 174.46 1ukx s ARG 68 N 2.33 3.18 -0.14 1.98 1.81 -0.33 -1.38 118.95 126.40 1ukx s ARG 68 Ca 0.21 -0.74 -0.01 0.00 -1.72 0.00 0.00 55.73 53.46 1ukx s ARG 68 Cb -0.16 -2.71 0.04 0.00 -0.45 0.00 0.00 34.95 31.68 1ukx s ARG 68 CO 0.10 -0.11 -0.02 0.08 -0.68 0.00 0.00 175.30 174.67 1ukx s VAL 69 N 1.14 0.73 -0.06 3.52 1.01 -1.13 -2.60 120.40 123.02 1ukx s VAL 69 Ca 0.01 -0.36 -0.21 0.00 0.00 0.00 0.00 61.98 61.42 1ukx s VAL 69 Cb -0.14 -0.98 -0.16 0.00 0.00 0.00 0.00 36.38 35.10 1ukx s VAL 69 CO -0.05 0.10 0.87 0.50 0.00 0.00 0.00 175.10 176.51 1ukx h LYS 70 N 8.22 -0.17 -0.85 2.72 3.64 -1.85 -1.64 116.57 126.64 1ukx h LYS 70 Ca -0.21 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1ukx h LYS 70 Cb 1.12 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1ukx h LYS 70 CO 0.34 0.30 -0.14 0.00 -2.27 0.00 0.00 179.45 177.68 1ukx s PRO 72 N -3.44 1.52 0.00 0.00 0.04 -1.26 -4.68 135.00 127.18 1ukx s PRO 72 Ca 0.00 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1ukx s PRO 72 Cb 0.00 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1ukx s PRO 72 CO 0.00 -2.10 0.38 -0.35 0.04 0.00 0.00 177.00 174.97 1ukx n PRO 73 N -3.81 0.50 0.00 0.56 -0.04 -1.26 -1.54 135.00 129.42 1ukx n PRO 73 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1ukx n PRO 73 Cb 0.54 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 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 -0.15 0.00 -1.85 0.52 -2.24 -1.26 -4.99 114.28 104.31 1ukx n THR 74 Ca 0.00 -0.30 -0.39 0.00 -2.27 0.00 0.00 64.05 61.10 1ukx n THR 74 Cb 0.06 0.81 0.02 0.00 -2.10 0.00 0.00 70.33 69.13 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 -1.19 2.44 -1.65 4.78 6.14 -0.59 -0.77 117.35 126.51 1ukx s TYR 75 Ca 0.00 1.35 0.06 0.00 0.64 0.00 0.00 57.07 59.12 1ukx s TYR 75 Cb 0.00 -3.81 0.22 0.00 0.42 0.00 0.00 41.96 38.80 1ukx s TYR 75 CO 0.00 -2.75 1.10 -0.35 0.64 0.00 0.00 175.55 174.19 1ukx n PRO 76 N -0.57 1.74 -0.22 4.97 -0.04 -1.26 -4.82 135.00 134.80 1ukx n PRO 76 Ca 0.08 -0.89 -0.02 0.00 -0.04 0.00 0.00 63.50 62.63 1ukx n PRO 76 Cb 0.44 -1.34 0.09 0.00 -0.04 0.00 0.00 33.50 32.65 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 1.35 0.49 -1.84 3.54 1.82 -1.31 -3.35 116.42 117.11 1ukx h ASP 77 Ca 0.00 0.04 -0.59 0.00 -0.39 0.00 0.00 57.03 56.08 1ukx h ASP 77 Cb 0.50 -0.06 -0.11 0.00 0.68 0.00 0.00 39.33 40.34 1ukx h ASP 77 CO 0.04 0.32 -0.61 0.68 -1.61 0.00 0.00 179.24 178.06 1ukx s VAL 78 N -6.10 2.43 0.30 2.25 -7.23 -1.23 -4.61 120.40 106.20 1ukx s VAL 78 Ca -0.13 -1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 57.76 1ukx s VAL 78 Cb 0.16 -2.82 -0.11 0.00 0.56 0.00 0.00 36.38 34.17 1ukx s VAL 78 CO 0.75 -0.15 1.53 0.68 -0.31 0.00 0.00 175.10 177.61 1ukx s VAL 79 N -2.57 2.22 1.26 1.32 -7.23 -1.26 -4.31 120.40 109.83 1ukx s VAL 79 Ca 0.35 0.20 -0.20 0.00 -1.81 0.00 0.00 61.98 60.52 1ukx s VAL 79 Cb 0.02 -3.12 0.31 0.00 0.56 0.00 0.00 36.38 34.15 1ukx s VAL 79 CO 0.19 0.03 1.05 -2.16 -0.31 0.00 0.00 175.10 173.90 1ukx s PRO 80 N -0.77 -1.70 0.75 4.82 0.04 -1.26 -4.76 135.00 132.12 1ukx s PRO 80 Ca 0.60 0.06 -0.12 0.00 0.04 0.00 0.00 61.00 61.59 1ukx s PRO 80 Cb -0.46 -1.53 0.04 0.00 0.04 0.00 0.00 34.50 32.59 1ukx s PRO 80 CO 0.49 -4.05 1.13 -1.83 0.04 0.00 0.00 177.00 172.78 1ukx s GLU 81 N -5.24 2.49 -0.07 4.56 -1.05 -1.26 -4.97 118.70 113.16 1ukx s GLU 81 Ca 0.70 0.30 0.00 0.00 -0.15 0.00 0.00 54.97 55.83 1ukx s GLU 81 Cb -0.12 -2.00 0.02 0.00 -0.44 0.00 0.00 34.13 31.59 1ukx s GLU 81 CO 0.57 -1.26 -0.05 0.42 0.95 0.00 0.00 175.26 175.90 1ukx s ILE 82 N -3.44 0.66 -0.10 1.83 -1.09 -1.26 -4.69 121.20 113.11 1ukx s ILE 82 Ca 0.60 -0.14 -0.07 0.00 -2.23 0.00 0.00 60.65 58.80 1ukx s ILE 82 Cb -0.11 -0.70 0.03 0.00 -1.58 0.00 0.00 42.46 40.10 1ukx s ILE 82 CO 0.50 0.28 0.25 -1.81 -1.23 0.00 0.00 174.94 172.93 1ukx s ASP 83 N 1.27 -0.26 0.01 3.58 1.01 -1.07 -5.04 116.67 116.18 1ukx s ASP 83 Ca -0.05 0.51 0.01 0.00 0.71 0.00 0.00 52.55 53.73 1ukx s ASP 83 Cb -0.14 0.47 -0.04 0.00 1.01 0.00 0.00 42.92 44.23 1ukx s ASP 83 CO -0.02 -0.11 0.03 -0.76 0.21 0.00 0.00 175.17 174.51 1ukx s LEU 84 N 0.53 3.62 0.19 1.23 2.01 -1.26 -1.18 118.68 123.82 1ukx s LEU 84 Ca -0.03 0.01 0.02 0.00 0.01 0.00 0.00 54.13 54.14 1ukx s LEU 84 Cb -0.05 -2.13 -0.05 0.00 0.01 0.00 0.00 46.19 43.98 1ukx s LEU 84 CO -0.03 0.26 0.01 -0.54 1.01 0.00 0.00 176.35 177.07 1ukx s LYS 85 N -1.73 1.19 -1.14 1.70 -0.14 -0.82 -4.91 119.74 113.89 1ukx s LYS 85 Ca 0.22 -1.59 -0.09 0.00 -1.36 0.00 0.00 55.97 53.15 1ukx s LYS 85 Cb -0.12 -0.33 0.07 0.00 -1.68 0.00 0.00 37.83 35.78 1ukx s LYS 85 CO 0.13 -0.15 0.38 0.09 -0.76 0.00 0.00 175.35 175.04 1ukx n ASN 86 N -0.30 -3.11 -4.60 2.83 3.02 -1.26 -0.91 115.26 110.92 1ukx n ASN 86 Ca -0.05 -0.30 -0.43 0.00 -0.03 0.00 0.00 54.58 53.77 1ukx n ASN 86 Cb 0.64 -2.62 -0.03 0.00 -0.61 0.00 0.00 39.78 37.16 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 -2.80 2.94 0.15 5.41 0.00 -1.26 -4.34 121.76 121.87 1ukx s ALA 87 Ca 0.35 0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.57 1ukx s ALA 87 Cb -0.19 -3.99 -0.04 0.00 0.00 0.00 0.00 23.12 18.90 1ukx s ALA 87 CO 0.43 -2.52 0.31 0.15 0.00 0.00 0.00 175.76 174.13 1ukx s LYS 88 N 5.46 3.46 0.00 0.00 1.02 0.12 -2.11 119.74 127.69 1ukx s LYS 88 Ca 0.77 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 56.26 1ukx s LYS 88 Cb -0.22 -2.94 0.00 0.00 -0.52 0.00 0.00 37.83 34.15 1ukx s LYS 88 CO 0.33 0.50 0.00 0.41 -0.92 0.00 0.00 175.35 175.67 1ukx n GLY 89 N -0.47 0.20 0.00 -3.33 0.00 -1.25 -3.22 105.19 97.13 1ukx n GLY 89 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1ukx n GLY 89 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ukx n LEU 90 N 0.00 0.00 0.00 0.99 4.77 -1.26 -4.94 117.00 116.56 1ukx n LEU 90 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ukx n LEU 90 Cb 0.09 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1ukx n LEU 90 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 174.86 1ukx n SER 91 N -0.48 0.00 -2.66 -1.43 7.64 -0.90 -0.20 113.62 115.59 1ukx n SER 91 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ukx n SER 91 Cb 0.03 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.29 1ukx n SER 91 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1ukx n ASN 92 N 0.85 0.86 0.00 6.43 2.85 -1.26 -4.39 115.26 120.59 1ukx n ASN 92 Ca 0.00 -2.06 0.00 0.00 -0.11 0.00 0.00 54.58 52.41 1ukx n ASN 92 Cb 0.00 -0.22 0.00 0.00 1.24 0.00 0.00 39.78 40.80 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 -0.69 0.00 0.00 1.20 1.02 0.72 -4.56 120.64 118.33 1ukx n GLU 93 Ca 0.01 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.28 1ukx n GLU 93 Cb 0.84 0.00 0.71 0.00 -0.02 0.00 0.00 31.44 32.97 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 -0.24 1.62 3.41 -1.26 -1.89 113.62 115.26 1ukx n SER 94 Ca 0.00 -0.59 -0.00 0.00 -0.26 0.00 0.00 58.87 58.01 1ukx n SER 94 Cb 0.00 -0.08 0.06 0.00 -0.26 0.00 0.00 64.21 63.94 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 0.25 -0.42 -3.33 2.07 -1.89 -0.88 116.25 112.05 1ukx h VAL 95 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 1ukx h VAL 95 Cb 0.06 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1ukx h VAL 95 CO 0.00 0.00 0.01 0.78 0.02 0.00 0.00 177.57 178.38 1ukx h ASN 96 N -0.04 0.65 0.65 0.57 2.35 -1.62 0.46 115.58 118.60 1ukx h ASN 96 Ca 0.32 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.90 1ukx h ASN 96 Cb 0.54 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.74 1ukx h ASN 96 CO -0.73 0.72 -0.31 0.25 -1.65 0.00 0.00 177.43 175.70 1ukx h LEU 97 N 0.65 -0.74 -1.27 1.61 6.46 -1.55 -2.75 115.31 117.73 1ukx h LEU 97 Ca 0.13 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.89 1ukx h LEU 97 Cb 0.40 0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.48 1ukx h LEU 97 CO 0.01 -0.48 0.39 0.25 -0.62 0.00 0.00 178.44 177.99 1ukx h LEU 98 N -0.94 0.78 -0.55 2.25 5.85 -0.80 -1.53 115.31 120.37 1ukx h LEU 98 Ca -0.09 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.62 1ukx h LEU 98 Cb 0.69 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 1ukx h LEU 98 CO 0.15 0.61 0.32 0.50 -0.34 0.00 0.00 178.44 179.67 1ukx h LYS 99 N 0.90 0.60 -0.97 1.25 3.64 -0.84 0.22 116.57 121.37 1ukx h LYS 99 Ca 0.24 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1ukx h LYS 99 Cb -0.02 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 31.61 1ukx h LYS 99 CO -0.04 0.40 0.64 1.03 -2.27 0.00 0.00 179.45 179.20 1ukx h SER 100 N 0.62 1.11 -0.23 4.20 0.87 -1.00 -0.07 113.55 119.05 1ukx h SER 100 Ca 0.23 -0.03 -0.17 0.00 -1.23 0.00 0.00 61.79 60.59 1ukx h SER 100 Cb 0.07 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1ukx h SER 100 CO -0.12 0.81 -0.48 0.45 -0.53 0.00 0.00 176.83 176.96 1ukx h HIS 101 N 1.31 0.99 -0.66 2.24 3.86 -0.37 -1.97 115.15 120.55 1ukx h HIS 101 Ca 0.35 -0.33 -0.07 0.00 -1.16 0.00 0.00 60.37 59.17 1ukx h HIS 101 Cb -0.15 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.10 1ukx h HIS 101 CO -0.00 1.12 0.14 -0.07 0.86 0.00 0.00 177.93 179.98 1ukx h LEU 102 N 0.63 1.02 -0.60 2.43 3.38 -0.48 0.10 115.31 121.79 1ukx h LEU 102 Ca 0.03 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.78 1ukx h LEU 102 Cb 1.06 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 1ukx h LEU 102 CO 0.11 1.00 0.38 -0.33 0.09 0.00 0.00 178.44 179.69 1ukx h GLU 103 N 1.00 0.72 0.01 1.13 5.08 -0.75 0.15 114.58 121.91 1ukx h GLU 103 Ca 0.20 -0.04 -0.23 0.00 -1.00 0.00 0.00 59.36 58.29 1ukx h GLU 103 Cb 0.40 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1ukx h GLU 103 CO 0.01 0.48 -0.96 0.93 -1.00 0.00 0.00 179.01 178.47 1ukx h GLU 104 N 0.75 0.40 -0.92 2.33 4.39 -1.07 -2.79 114.58 117.67 1ukx h GLU 104 Ca 0.24 -0.44 0.07 0.00 0.34 0.00 0.00 59.36 59.56 1ukx h GLU 104 Cb 0.00 0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 28.71 1ukx h GLU 104 CO -0.09 1.11 0.58 1.25 -1.16 0.00 0.00 179.01 180.70 1ukx h LEU 105 N 0.22 0.91 -0.24 1.33 5.85 -0.63 -1.25 115.31 121.50 1ukx h LEU 105 Ca -0.08 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.69 1ukx h LEU 105 Cb 1.60 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.42 1ukx h LEU 105 CO 0.17 0.57 0.02 0.00 -0.34 0.00 0.00 178.44 178.86 1ukx h ALA 106 N 1.43 0.22 -0.33 1.25 0.00 -0.73 -0.35 119.26 120.76 1ukx h ALA 106 Ca 0.40 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 1ukx h ALA 106 Cb 0.20 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1ukx h ALA 106 CO -0.18 -0.40 0.17 0.87 0.00 0.00 0.00 179.25 179.70 1ukx h LYS 107 N 0.10 0.45 0.00 0.00 6.56 -1.04 0.11 116.57 122.75 1ukx h LYS 107 Ca 0.11 -0.04 -0.15 0.00 -1.06 0.00 0.00 60.65 59.51 1ukx h LYS 107 Cb 0.13 -0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 31.68 1ukx h LYS 107 CO -0.18 0.35 -0.72 0.87 -2.06 0.00 0.00 179.45 177.72 1ukx h LYS 108 N 0.46 0.00 -0.01 3.15 1.57 -0.34 -3.09 116.57 118.30 1ukx h LYS 108 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1ukx h LYS 108 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1ukx h LYS 108 CO -0.02 0.72 -0.55 1.04 -0.57 0.00 0.00 179.45 180.07 1ukx n GLN 109 N -3.47 0.96 -1.92 3.15 1.13 -0.23 -4.98 117.38 112.02 1ukx n GLN 109 Ca 0.00 -0.78 -0.42 0.00 -1.94 0.00 0.00 57.00 53.87 1ukx n GLN 109 Cb 0.75 -1.48 -0.03 0.00 0.11 0.00 0.00 30.24 29.60 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 2.98 1.28 0.42 0.00 0.00 -1.26 -5.02 105.19 103.59 1ukx n GLY 111 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 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 0.11 -1.77 1.61 0.28 -1.23 -4.92 120.64 114.72 1ukx n GLU 112 Ca 0.00 -0.22 -0.39 0.00 -0.16 0.00 0.00 57.16 56.38 1ukx n GLU 112 Cb 0.00 0.28 0.03 0.00 1.43 0.00 0.00 31.44 33.19 1ukx n GLU 112 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1ukx s VAL 113 N -2.79 2.03 0.00 3.84 -7.23 -1.26 -4.86 120.40 110.12 1ukx s VAL 113 Ca 0.02 0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.21 1ukx s VAL 113 Cb -0.00 -3.01 0.00 0.00 0.56 0.00 0.00 36.38 33.92 1ukx s VAL 113 CO 0.01 0.00 0.00 1.15 -0.31 0.00 0.00 175.10 175.95 1ukx n MET 114 N -0.62 0.04 0.16 4.82 0.00 -1.26 -4.92 117.12 115.34 1ukx n MET 114 Ca 0.08 0.00 0.09 0.00 0.00 0.00 0.00 57.70 57.87 1ukx n MET 114 Cb 0.43 -0.00 0.60 0.00 0.00 0.00 0.00 33.22 34.24 1ukx n MET 114 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1ukx h ILE 115 N 0.00 0.98 -0.69 3.17 2.04 -1.99 0.12 117.51 121.15 1ukx h ILE 115 Ca 0.00 -0.05 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 1ukx h ILE 115 Cb 0.00 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1ukx h ILE 115 CO 0.00 0.02 0.23 -0.26 0.00 0.00 0.00 178.15 178.14 1ukx h PHE 116 N 0.13 1.09 -0.01 1.37 0.04 -1.99 -1.58 116.94 115.99 1ukx h PHE 116 Ca 0.07 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 1ukx h PHE 116 Cb 0.13 -0.32 -0.00 0.00 2.20 0.00 0.00 35.95 37.96 1ukx h PHE 116 CO -0.00 0.87 0.00 1.49 -0.60 0.00 0.00 178.31 180.07 1ukx h GLU 117 N 1.00 0.02 -0.13 1.51 4.22 -1.21 -2.23 114.58 117.76 1ukx h GLU 117 Ca 0.22 -0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.70 1ukx h GLU 117 Cb 0.28 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1ukx h GLU 117 CO -0.01 0.28 -0.13 -0.07 -2.18 0.00 0.00 179.01 176.91 1ukx h LEU 118 N -0.25 -0.39 -0.07 1.64 3.38 -1.04 -0.25 115.31 118.32 1ukx h LEU 118 Ca 0.00 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1ukx h LEU 118 Cb 0.27 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1ukx h LEU 118 CO 0.00 -0.17 -0.10 0.00 0.09 0.00 0.00 178.44 178.26 1ukx h ALA 119 N 0.92 -0.05 -0.53 1.53 0.00 -1.34 -2.05 119.26 117.75 1ukx h ALA 119 Ca 0.09 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.13 1ukx h ALA 119 Cb 0.28 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 1ukx h ALA 119 CO -0.22 -0.57 0.09 1.25 0.00 0.00 0.00 179.25 179.80 1ukx h HIS 120 N -0.14 0.14 -0.66 0.00 2.76 -0.69 -1.18 115.15 115.37 1ukx h HIS 120 Ca 0.06 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.29 1ukx h HIS 120 Cb 0.23 0.02 -0.04 0.00 1.55 0.00 0.00 27.41 29.17 1ukx h HIS 120 CO -0.20 -0.03 0.41 1.25 -1.30 0.00 0.00 177.93 178.06 1ukx h HIS 121 N 0.22 0.77 0.12 5.26 6.17 -0.85 -1.23 115.15 125.62 1ukx h HIS 121 Ca 0.27 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.37 1ukx h HIS 121 Cb 0.38 -0.25 -0.01 0.00 2.52 0.00 0.00 27.41 30.05 1ukx h HIS 121 CO -0.25 0.45 -0.10 0.28 0.71 0.00 0.00 177.93 179.02 1ukx h VAL 122 N 0.81 0.78 -0.75 5.26 2.07 -0.74 -1.53 116.25 122.15 1ukx h VAL 122 Ca 0.26 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.84 1ukx h VAL 122 Cb 0.01 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 1ukx h VAL 122 CO -0.10 0.00 0.45 1.56 0.02 0.00 0.00 177.57 179.50 1ukx h GLN 123 N -0.23 0.81 -0.33 1.57 4.20 -0.62 0.13 115.11 120.64 1ukx h GLN 123 Ca -0.00 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.68 1ukx h GLN 123 Cb 0.22 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1ukx h GLN 123 CO -0.02 0.54 0.18 0.77 -0.67 0.00 0.00 178.83 179.63 1ukx h SER 124 N 0.83 0.28 -0.53 1.46 0.02 -1.11 -2.17 113.55 112.33 1ukx h SER 124 Ca 0.32 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.17 1ukx h SER 124 Cb 0.14 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1ukx h SER 124 CO -0.16 0.20 -0.12 0.15 -1.14 0.00 0.00 176.83 175.76 1ukx h PHE 125 N 0.37 1.14 -0.22 3.45 3.57 -0.34 -2.80 116.94 122.12 1ukx h PHE 125 Ca 0.13 -0.24 0.02 0.00 3.53 0.00 0.00 57.97 61.41 1ukx h PHE 125 Cb 0.03 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.46 1ukx h PHE 125 CO -0.09 1.06 0.09 -0.07 -2.23 0.00 0.00 178.31 177.08 1ukx h LEU 126 N 0.90 0.12 -1.90 0.59 3.38 -0.53 -1.37 115.31 116.50 1ukx h LEU 126 Ca 0.14 0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.32 1ukx h LEU 126 Cb 0.69 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1ukx h LEU 126 CO 0.05 0.10 0.50 0.28 0.09 0.00 0.00 178.44 179.46 1ukx h SER 127 N 0.20 0.09 0.46 -0.43 0.02 -1.22 -0.64 113.55 112.04 1ukx h SER 127 Ca 0.09 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1ukx h SER 127 Cb 0.04 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1ukx h SER 127 CO -0.08 0.04 -0.22 -0.08 -1.14 0.00 0.00 176.83 175.35 1ukx h GLU 128 N 0.09 -0.60 0.00 3.45 4.22 -0.99 0.38 114.58 121.13 1ukx h GLU 128 Ca 0.34 0.04 -0.05 0.00 0.08 0.00 0.00 59.36 59.77 1ukx h GLU 128 Cb 1.24 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 1ukx h GLU 128 CO -0.03 -0.30 -0.24 0.45 -2.18 0.00 0.00 179.01 176.70 1ukx h HIS 129 N -0.88 0.00 0.75 0.92 3.86 -1.36 -3.21 115.15 115.24 1ukx h HIS 129 Ca -0.06 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.11 1ukx h HIS 129 Cb 0.58 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.05 1ukx h HIS 129 CO 0.00 0.24 -0.36 -0.97 0.86 0.00 0.00 177.93 177.71 1ukx h ASN 130 N 0.00 -0.85 -6.63 2.45 -0.73 -0.94 -3.47 115.58 105.41 1ukx h ASN 130 Ca -0.00 0.01 -0.44 0.00 1.87 0.00 0.00 56.30 57.74 1ukx h ASN 130 Cb 0.49 0.22 -0.12 0.00 0.27 0.00 0.00 38.32 39.18 1ukx h ASN 130 CO 0.03 -0.51 -0.70 0.29 -0.37 0.00 0.00 177.43 176.17 1ukx n LYS 131 N -5.47 -0.84 -3.46 6.67 5.02 0.11 -4.93 118.16 115.26 1ukx n LYS 131 Ca -0.13 0.02 -0.25 0.00 -2.02 0.00 0.00 58.31 55.93 1ukx n LYS 131 Cb 0.41 -2.29 -0.12 0.00 -0.02 0.00 0.00 35.03 33.01 1ukx n LYS 131 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1ukx s SER 132 N -3.98 2.67 0.72 4.39 0.01 -1.26 -5.12 113.70 111.13 1ukx s SER 132 Ca 0.08 -1.54 -0.14 0.00 1.31 0.00 0.00 55.95 55.65 1ukx s SER 132 Cb -0.05 -0.08 0.04 0.00 0.21 0.00 0.00 66.02 66.14 1ukx s SER 132 CO 0.71 -0.36 1.16 -0.83 0.41 0.00 0.00 173.24 174.33 1ukx s GLY 133 N 1.70 2.19 -0.24 3.44 0.00 -1.26 -4.98 107.32 108.16 1ukx s GLY 133 Ca 0.13 0.71 -0.29 0.00 0.00 0.00 0.00 44.72 45.27 1ukx s GLY 133 CO -0.18 1.09 1.63 2.56 0.00 0.00 0.00 173.10 178.20 1ukx s PRO 134 N -4.09 3.72 0.61 2.90 0.04 -1.26 -5.02 135.00 131.91 1ukx s PRO 134 Ca 0.70 1.59 -0.17 0.00 0.04 0.00 0.00 61.00 63.17 1ukx s PRO 134 Cb -0.25 -4.06 -0.02 0.00 0.04 0.00 0.00 34.50 30.21 1ukx s PRO 134 CO 0.45 -1.38 1.11 -1.12 0.04 0.00 0.00 177.00 176.11 1ukx s SER 135 N 4.47 5.37 0.95 6.66 0.01 -1.26 -5.06 113.70 124.83 1ukx s SER 135 Ca 0.72 2.06 -0.13 0.00 1.31 0.00 0.00 55.95 59.90 1ukx s SER 135 Cb -0.24 -2.56 0.16 0.00 0.21 0.00 0.00 66.02 63.59 1ukx s SER 135 CO 0.30 -1.46 1.14 -0.94 0.41 0.00 0.00 173.24 172.70 1ukx s SER 136 N -2.29 3.13 0.00 2.44 1.04 -1.26 -5.30 113.70 111.46 1ukx s SER 136 Ca 0.69 0.91 0.27 0.00 0.48 0.00 0.00 55.95 58.29 1ukx s SER 136 Cb -0.21 -1.43 0.76 0.00 0.10 0.00 0.00 66.02 65.23 1ukx s SER 136 CO 0.36 -2.78 1.58 0.61 0.98 0.00 0.00 173.24 173.99