#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 1.04 0.34 1.61 0.01 -1.26 -5.15 113.70 110.30 1ukx s SER 2 Ca 0.00 0.04 -0.10 0.00 1.31 0.00 0.00 55.95 57.20 1ukx s SER 2 Cb 0.00 0.44 0.02 0.00 0.21 0.00 0.00 66.02 66.70 1ukx s SER 2 CO 0.00 -0.30 0.61 -0.55 0.41 0.00 0.00 173.24 173.42 1ukx s SER 3 N 2.34 0.33 0.00 2.44 0.15 -1.26 -5.17 113.70 112.54 1ukx s SER 3 Ca 0.05 -1.21 0.00 0.00 0.70 0.00 0.00 55.95 55.49 1ukx s SER 3 Cb -0.14 0.73 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 1ukx s SER 3 CO -0.10 -1.43 0.00 0.61 1.20 0.00 0.00 173.24 173.52 1ukx n GLY 4 N -0.52 -0.18 3.30 9.45 0.00 -1.26 -5.12 105.19 110.86 1ukx n GLY 4 Ca -0.03 -1.37 -0.21 0.00 0.00 0.00 0.00 46.02 44.40 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 0.66 -6.21 -4.54 1.61 7.64 -1.26 -5.05 113.62 106.47 1ukx n SER 5 Ca 0.00 0.18 -0.24 0.00 1.01 0.00 0.00 58.87 59.82 1ukx n SER 5 Cb 0.00 -2.15 -0.09 0.00 -1.01 0.00 0.00 64.21 60.96 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 -1.42 4.00 0.00 6.43 0.01 -1.26 -4.65 113.70 116.82 1ukx s SER 6 Ca 0.22 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.63 1ukx s SER 6 Cb -0.03 -0.54 0.00 0.00 0.21 0.00 0.00 66.02 65.67 1ukx s SER 6 CO 0.57 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.86 1ukx n GLY 7 N -0.70 0.81 0.00 3.44 0.00 -1.26 -4.69 105.19 102.79 1ukx n GLY 7 Ca -0.06 -0.69 0.06 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 0.01 -2.97 1.61 0.00 -1.26 -3.79 117.12 110.72 1ukx n MET 8 Ca 0.00 0.29 -0.44 0.00 -0.00 0.00 0.00 57.70 57.55 1ukx n MET 8 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.72 1ukx n MET 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1ukx n GLU 9 N -1.49 3.80 0.05 2.12 -0.58 -1.26 -4.62 120.64 118.65 1ukx n GLU 9 Ca 0.03 -4.19 0.00 0.00 -0.42 0.00 0.00 57.16 52.59 1ukx n GLU 9 Cb 0.14 -2.71 0.00 0.00 -0.57 0.00 0.00 31.44 28.30 1ukx n GLU 9 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1ukx n SER 10 N 3.12 0.86 -0.02 1.62 7.64 -1.25 -4.81 113.62 120.78 1ukx n SER 10 Ca 0.30 0.13 0.01 0.00 1.01 0.00 0.00 58.87 60.32 1ukx n SER 10 Cb 0.38 -0.25 0.33 0.00 -1.01 0.00 0.00 64.21 63.66 1ukx n SER 10 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1ukx h TYR 11 N 0.00 0.57 0.00 1.43 0.05 -1.86 -2.84 116.97 114.32 1ukx h TYR 11 Ca 0.00 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1ukx h TYR 11 Cb 0.00 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 37.56 1ukx h TYR 11 CO 0.00 0.48 0.00 0.77 -1.05 0.00 0.00 178.16 178.36 1ukx h SER 12 N 0.56 0.00 0.53 3.88 0.02 -1.88 -1.03 113.55 115.64 1ukx h SER 12 Ca 0.13 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1ukx h SER 12 Cb 0.18 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.73 1ukx h SER 12 CO -0.01 0.00 -0.26 1.56 -1.14 0.00 0.00 176.83 176.99 1ukx h GLN 13 N 0.00 -0.69 0.00 3.45 4.20 -1.82 -1.28 115.11 118.97 1ukx h GLN 13 Ca 0.00 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1ukx h GLN 13 Cb 0.01 0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1ukx h GLN 13 CO 0.00 -0.46 0.12 0.54 -0.67 0.00 0.00 178.83 178.35 1ukx n ARG 14 N -5.00 0.04 -0.00 1.46 1.74 -0.48 -0.68 116.66 113.74 1ukx n ARG 14 Ca -0.09 0.46 -0.00 0.00 -0.77 0.00 0.00 57.85 57.45 1ukx n ARG 14 Cb 0.28 -1.73 -0.00 0.00 -1.02 0.00 0.00 32.46 29.99 1ukx n ARG 14 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1ukx h GLN 15 N 0.00 0.00 -0.61 5.56 4.20 -1.24 -3.37 115.11 119.65 1ukx h GLN 15 Ca 0.00 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 1ukx h GLN 15 Cb 0.23 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.96 1ukx h GLN 15 CO 0.00 0.00 0.34 0.22 -0.67 0.00 0.00 178.83 178.72 1ukx h ASP 16 N -0.04 0.51 0.00 1.46 3.58 -0.59 -0.36 116.42 120.98 1ukx h ASP 16 Ca 0.00 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 1ukx h ASP 16 Cb 0.01 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 1ukx h ASP 16 CO 0.00 0.34 -0.07 -0.74 -2.88 0.00 0.00 179.24 175.89 1ukx h HIS 17 N 0.64 0.17 0.12 0.28 2.76 -1.14 -2.39 115.15 115.60 1ukx h HIS 17 Ca 0.27 -0.01 -0.30 0.00 -2.20 0.00 0.00 60.37 58.13 1ukx h HIS 17 Cb 0.14 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.05 1ukx h HIS 17 CO -0.08 0.25 -1.43 1.49 -1.30 0.00 0.00 177.93 176.85 1ukx h GLU 18 N 0.17 0.26 -0.12 5.26 4.57 -1.27 -2.43 114.58 121.01 1ukx h GLU 18 Ca 0.04 -0.44 0.02 0.00 -1.18 0.00 0.00 59.36 57.79 1ukx h GLU 18 Cb 0.24 0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 1ukx h GLU 18 CO 0.01 1.15 0.02 -0.07 -1.18 0.00 0.00 179.01 178.94 1ukx h LEU 19 N 0.07 -0.00 -1.48 1.64 3.38 -0.88 0.35 115.31 118.39 1ukx h LEU 19 Ca -0.21 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1ukx h LEU 19 Cb 2.00 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.76 1ukx h LEU 19 CO 0.18 0.02 0.12 1.56 0.09 0.00 0.00 178.44 180.41 1ukx h GLN 20 N 0.07 0.47 0.13 1.13 4.20 -1.53 -0.60 115.11 118.97 1ukx h GLN 20 Ca 0.05 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1ukx h GLN 20 Cb 0.05 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1ukx h GLN 20 CO -0.08 0.40 -0.06 0.00 -0.67 0.00 0.00 178.83 178.42 1ukx h ALA 21 N 1.67 -0.17 0.00 3.87 0.00 -0.79 -3.24 119.26 120.60 1ukx h ALA 21 Ca 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ukx h ALA 21 Cb 0.11 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ukx h ALA 21 CO -0.01 -0.44 -0.07 -0.07 0.00 0.00 0.00 179.25 178.66 1ukx h LEU 22 N -0.48 0.00 -2.22 0.00 3.38 0.25 0.11 115.31 116.36 1ukx h LEU 22 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ukx h LEU 22 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1ukx h LEU 22 CO 0.03 0.07 0.00 -0.08 0.09 0.00 0.00 178.44 178.55 1ukx h GLU 23 N 0.00 0.00 0.00 1.13 4.81 -1.15 -1.65 114.58 117.72 1ukx h GLU 23 Ca -0.00 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.93 1ukx h GLU 23 Cb 0.13 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 1ukx h GLU 23 CO 0.01 0.00 -1.67 0.00 -0.73 0.00 0.00 179.01 176.62 1ukx n ALA 24 N -2.06 0.92 -0.23 2.92 0.00 0.33 -2.07 120.51 120.31 1ukx n ALA 24 Ca -0.01 -0.71 -0.00 0.00 0.00 0.00 0.00 53.44 52.71 1ukx n ALA 24 Cb 0.17 -0.28 0.11 0.00 0.00 0.00 0.00 19.45 19.46 1ukx n ALA 24 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1ukx h ILE 25 N -1.00 0.91 0.00 0.00 5.03 -1.31 -3.33 117.51 117.81 1ukx h ILE 25 Ca -0.45 -0.22 0.00 0.00 -0.12 0.00 0.00 64.86 64.07 1ukx h ILE 25 Cb 1.37 0.22 0.00 0.00 -3.03 0.00 0.00 36.82 35.38 1ukx h ILE 25 CO -0.27 0.12 -0.17 -1.22 -0.68 0.00 0.00 178.15 175.92 1ukx n TYR 26 N -4.83 0.09 -0.74 1.37 4.01 -0.63 -4.99 117.16 111.44 1ukx n TYR 26 Ca 0.09 0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 1ukx n TYR 26 Cb 0.22 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 1ukx n TYR 26 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ukx n GLY 27 N 1.60 0.30 0.00 2.72 0.00 -0.88 -4.35 105.19 104.58 1ukx n GLY 27 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.14 0.00 0.08 1.61 7.64 -1.26 -4.93 113.62 116.62 1ukx n SER 28 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 1ukx n SER 28 Cb 0.07 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.16 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 0.12 -3.93 6.43 5.19 -1.89 -3.46 116.42 118.89 1ukx h ASP 29 Ca 0.00 -0.13 -0.47 0.00 -0.62 0.00 0.00 57.03 55.82 1ukx h ASP 29 Cb 0.00 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 1ukx h ASP 29 CO 0.00 1.08 0.36 0.12 -3.12 0.00 0.00 179.24 177.68 1ukx s PHE 30 N -2.76 3.53 -0.09 4.55 5.36 -1.26 -1.80 117.98 125.51 1ukx s PHE 30 Ca -0.01 1.72 -0.04 0.00 -0.96 0.00 0.00 56.93 57.65 1ukx s PHE 30 Cb 0.09 -2.96 0.05 0.00 -0.34 0.00 0.00 43.02 39.86 1ukx s PHE 30 CO 0.83 -0.03 0.20 -1.14 -1.46 0.00 0.00 175.22 173.62 1ukx s GLN 31 N -2.33 0.11 0.38 10.12 0.74 -0.29 -4.89 119.66 123.49 1ukx s GLN 31 Ca 0.54 0.53 -0.26 0.00 0.05 0.00 0.00 55.36 56.22 1ukx s GLN 31 Cb -0.18 -0.16 -0.09 0.00 1.10 0.00 0.00 33.01 33.68 1ukx s GLN 31 CO 0.23 -0.22 1.11 0.16 -0.55 0.00 0.00 175.29 176.02 1ukx s ASP 32 N 1.72 6.75 -0.05 6.67 1.47 -1.26 -1.45 116.67 130.52 1ukx s ASP 32 Ca -0.04 2.22 0.01 0.00 1.18 0.00 0.00 52.55 55.91 1ukx s ASP 32 Cb -0.11 -2.61 -0.03 0.00 -0.34 0.00 0.00 42.92 39.83 1ukx s ASP 32 CO -0.07 -0.51 -0.04 0.18 0.68 0.00 0.00 175.17 175.42 1ukx n LEU 33 N 0.24 2.80 -4.15 2.11 4.32 -0.89 -4.91 117.00 116.52 1ukx n LEU 33 Ca 0.03 -0.02 -0.11 0.00 -0.02 0.00 0.00 56.01 55.89 1ukx n LEU 33 Cb 0.47 -0.15 -0.10 0.00 -1.62 0.00 0.00 43.42 42.02 1ukx n LEU 33 CO 0.49 0.55 -0.39 0.00 -1.22 0.00 0.00 177.39 176.82 1ukx s ARG 34 N -2.09 0.78 0.81 3.23 1.70 -1.24 -5.04 118.95 117.11 1ukx s ARG 34 Ca -0.06 -1.23 -0.14 0.00 -0.47 0.00 0.00 55.73 53.83 1ukx s ARG 34 Cb 0.02 -0.23 0.19 0.00 -0.57 0.00 0.00 34.95 34.35 1ukx s ARG 34 CO 0.11 -0.00 1.09 -0.35 -1.08 0.00 0.00 175.30 175.07 1ukx n PRO 35 N 0.23 -1.14 -4.20 3.89 -0.04 -1.26 -4.53 135.00 127.95 1ukx n PRO 35 Ca -0.14 -1.68 -0.12 0.00 -0.04 0.00 0.00 63.50 61.51 1ukx n PRO 35 Cb 0.60 -1.14 -0.10 0.00 -0.04 0.00 0.00 33.50 32.82 1ukx n PRO 35 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1ukx s ASP 36 N -4.97 0.27 0.29 3.54 -1.08 -1.26 -4.82 116.67 108.64 1ukx s ASP 36 Ca 0.62 -1.40 -0.18 0.00 -0.52 0.00 0.00 52.55 51.07 1ukx s ASP 36 Cb -0.02 0.41 0.02 0.00 -1.46 0.00 0.00 42.92 41.87 1ukx s ASP 36 CO 0.44 -0.88 0.68 0.00 0.52 0.00 0.00 175.17 175.93 1ukx s ALA 37 N -4.09 -0.93 -0.73 3.66 0.00 -1.26 -5.09 121.76 113.33 1ukx s ALA 37 Ca 0.38 -0.50 -0.26 0.00 0.00 0.00 0.00 51.96 51.58 1ukx s ALA 37 Cb 0.06 0.88 -0.02 0.00 0.00 0.00 0.00 23.12 24.04 1ukx s ALA 37 CO 0.13 -0.99 1.78 0.50 0.00 0.00 0.00 175.76 177.17 1ukx s ARG 38 N -3.72 2.75 0.00 0.00 3.52 -1.26 -4.22 118.95 116.02 1ukx s ARG 38 Ca 0.14 0.16 0.00 0.00 -0.13 0.00 0.00 55.73 55.90 1ukx s ARG 38 Cb -0.05 -4.59 0.00 0.00 -1.56 0.00 0.00 34.95 28.76 1ukx s ARG 38 CO 0.08 -2.78 0.00 0.41 -0.81 0.00 0.00 175.30 172.20 1ukx n GLY 39 N 6.01 0.80 3.39 8.12 0.00 -1.26 -5.04 105.19 117.21 1ukx n GLY 39 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.37 -2.06 -0.47 1.61 3.52 -1.26 -4.78 118.95 115.15 1ukx s ARG 40 Ca 0.00 0.38 -0.35 0.00 -0.13 0.00 0.00 55.73 55.63 1ukx s ARG 40 Cb 0.00 -1.46 -0.13 0.00 -1.56 0.00 0.00 34.95 31.80 1ukx s ARG 40 CO 0.00 -4.36 2.27 1.55 -0.81 0.00 0.00 175.30 173.95 1ukx n VAL 41 N -5.30 0.11 -2.43 7.11 3.14 -1.26 -4.80 118.33 114.89 1ukx n VAL 41 Ca 0.09 -0.25 -0.43 0.00 -2.96 0.00 0.00 64.34 60.78 1ukx n VAL 41 Cb 0.58 -1.48 -0.02 0.00 -1.06 0.00 0.00 33.84 31.86 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 6.77 4.13 0.33 1.45 3.00 -1.26 -4.93 118.95 128.44 1ukx s ARG 42 Ca 1.13 1.51 -0.04 0.00 -1.00 0.00 0.00 55.73 57.33 1ukx s ARG 42 Cb -0.92 -3.80 0.00 0.00 0.00 0.00 0.00 34.95 30.24 1ukx s ARG 42 CO 0.49 -0.84 0.48 -1.83 0.00 0.00 0.00 175.30 173.60 1ukx s GLU 43 N 3.71 1.87 -0.32 5.12 -1.05 -1.26 -5.14 118.70 121.62 1ukx s GLU 43 Ca 0.55 -1.69 -0.21 0.00 -0.15 0.00 0.00 54.97 53.47 1ukx s GLU 43 Cb -0.20 0.45 -0.00 0.00 -0.44 0.00 0.00 34.13 33.94 1ukx s GLU 43 CO 0.17 -0.78 0.66 -1.25 0.95 0.00 0.00 175.26 175.01 1ukx s PRO 44 N -3.15 3.87 -0.44 -4.83 0.04 -1.26 -4.93 135.00 124.29 1ukx s PRO 44 Ca 0.29 0.30 -0.27 0.00 0.04 0.00 0.00 61.00 61.36 1ukx s PRO 44 Cb -0.00 -3.74 -0.04 0.00 0.04 0.00 0.00 34.50 30.75 1ukx s PRO 44 CO 0.18 -0.62 2.05 -1.25 0.04 0.00 0.00 177.00 177.40 1ukx s PRO 45 N 2.70 2.74 -0.12 0.56 0.04 -0.86 -4.86 135.00 135.20 1ukx s PRO 45 Ca 0.26 1.27 -0.20 0.00 0.04 0.00 0.00 61.00 62.38 1ukx s PRO 45 Cb -0.15 -4.39 -0.04 0.00 0.04 0.00 0.00 34.50 29.97 1ukx s PRO 45 CO 0.13 -2.56 0.54 -2.00 0.04 0.00 0.00 177.00 173.15 1ukx s GLU 46 N 6.91 4.34 0.05 4.56 2.12 -1.26 -4.09 118.70 131.33 1ukx s GLU 46 Ca 0.84 0.56 0.01 0.00 0.36 0.00 0.00 54.97 56.74 1ukx s GLU 46 Cb -0.20 -3.46 -0.03 0.00 0.26 0.00 0.00 34.13 30.70 1ukx s GLU 46 CO 0.28 0.08 -0.06 0.96 -0.54 0.00 0.00 175.26 175.98 1ukx s ILE 47 N 0.85 0.44 -0.17 -3.70 -5.25 -0.64 -2.09 121.20 110.64 1ukx s ILE 47 Ca 0.29 -1.34 0.01 0.00 -0.99 0.00 0.00 60.65 58.62 1ukx s ILE 47 Cb -0.16 -0.90 0.03 0.00 2.95 0.00 0.00 42.46 44.38 1ukx s ILE 47 CO 0.12 -0.60 -0.13 0.21 -1.79 0.00 0.00 174.94 172.74 1ukx s ASN 48 N -2.07 3.05 -0.07 4.36 2.47 -0.53 -2.44 114.94 119.72 1ukx s ASN 48 Ca -0.04 -0.68 -0.00 0.00 0.42 0.00 0.00 52.86 52.56 1ukx s ASN 48 Cb -0.04 -1.25 -0.03 0.00 -1.45 0.00 0.00 41.25 38.48 1ukx s ASN 48 CO -0.02 -0.09 -0.03 -0.76 -3.72 0.00 0.00 177.10 172.48 1ukx s LEU 49 N 1.42 3.38 -0.11 3.21 1.43 -0.31 -1.13 118.68 126.56 1ukx s LEU 49 Ca 0.02 0.05 -0.04 0.00 -1.03 0.00 0.00 54.13 53.13 1ukx s LEU 49 Cb -0.14 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1ukx s LEU 49 CO -0.10 0.36 0.05 -0.69 0.23 0.00 0.00 176.35 176.20 1ukx s VAL 50 N -0.87 4.74 0.01 -1.59 1.01 -0.74 -0.57 120.40 122.39 1ukx s VAL 50 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1ukx s VAL 50 Cb -0.11 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 1ukx s VAL 50 CO 0.03 0.58 -0.02 -0.76 0.00 0.00 0.00 175.10 174.93 1ukx s LEU 51 N -0.69 2.08 0.19 3.92 1.43 -0.97 -4.84 118.68 119.79 1ukx s LEU 51 Ca 0.12 -0.19 0.04 0.00 -1.03 0.00 0.00 54.13 53.07 1ukx s LEU 51 Cb -0.12 -0.04 -0.05 0.00 0.03 0.00 0.00 46.19 46.02 1ukx s LEU 51 CO 0.02 -0.08 -0.07 -0.31 0.23 0.00 0.00 176.35 176.15 1ukx s TYR 52 N -0.50 1.44 0.39 0.29 2.02 -1.26 -3.11 117.35 116.62 1ukx s TYR 52 Ca -0.04 -0.80 -0.23 0.00 -0.37 0.00 0.00 57.07 55.62 1ukx s TYR 52 Cb -0.04 -0.77 -0.10 0.00 -0.40 0.00 0.00 41.96 40.65 1ukx s TYR 52 CO -0.00 0.07 0.99 -1.25 -1.57 0.00 0.00 175.55 173.78 1ukx s PRO 53 N -3.78 4.28 0.41 -1.71 0.04 -1.26 -4.71 135.00 128.26 1ukx s PRO 53 Ca 0.22 1.32 -0.27 0.00 0.04 0.00 0.00 61.00 62.32 1ukx s PRO 53 Cb 0.04 -2.47 -0.10 0.00 0.04 0.00 0.00 34.50 32.01 1ukx s PRO 53 CO 0.05 -0.01 1.46 0.00 0.04 0.00 0.00 177.00 178.54 1ukx n GLN 54 N -0.14 2.47 -0.24 4.56 -0.00 -1.26 -2.44 117.38 120.33 1ukx n GLN 54 Ca 0.05 0.87 0.00 0.00 -0.00 0.00 0.00 57.00 57.92 1ukx n GLN 54 Cb 0.51 -2.65 0.00 0.00 -0.00 0.00 0.00 30.24 28.10 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 0.51 1.40 2.55 2.61 0.00 -1.26 -4.96 105.19 106.04 1ukx n GLY 55 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1ukx n GLY 55 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ukx s LEU 56 N 0.00 1.90 -0.21 0.99 1.43 -1.02 -5.10 118.68 116.67 1ukx s LEU 56 Ca 0.00 -2.71 0.01 0.00 -1.03 0.00 0.00 54.13 50.40 1ukx s LEU 56 Cb 0.00 -0.69 0.04 0.00 0.03 0.00 0.00 46.19 45.57 1ukx s LEU 56 CO 0.00 -0.24 -0.13 0.00 0.23 0.00 0.00 176.35 176.22 1ukx s ALA 57 N 0.35 2.24 -1.45 4.21 0.00 -1.26 -4.29 121.76 121.57 1ukx s ALA 57 Ca 0.23 -1.37 -0.09 0.00 0.00 0.00 0.00 51.96 50.73 1ukx s ALA 57 Cb -0.14 -1.34 0.03 0.00 0.00 0.00 0.00 23.12 21.67 1ukx s ALA 57 CO -0.07 -0.81 0.96 0.41 0.00 0.00 0.00 175.76 176.24 1ukx n GLY 58 N 4.60 -0.53 0.00 0.00 0.00 -1.26 -4.95 105.19 103.05 1ukx n GLY 58 Ca -0.16 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1ukx n GLY 58 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ukx n GLU 59 N -4.62 0.00 0.00 1.61 -0.58 -1.26 -5.11 120.64 110.67 1ukx n GLU 59 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1ukx n GLU 59 Cb 0.56 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.43 1ukx n GLU 59 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1ukx n GLU 60 N 0.00 0.00 -0.92 3.49 1.02 -1.26 -5.00 120.64 117.97 1ukx n GLU 60 Ca 0.00 0.61 0.12 0.00 -0.02 0.00 0.00 57.16 57.87 1ukx n GLU 60 Cb 0.00 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 29.88 1ukx n GLU 60 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ukx n VAL 61 N -2.21 0.00 0.00 2.62 0.31 -1.26 -4.98 118.33 112.80 1ukx n VAL 61 Ca 0.00 0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 1ukx n VAL 61 Cb 0.00 -0.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 1ukx n VAL 61 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1ukx n TYR 62 N -3.36 -0.16 -5.00 3.52 4.02 -1.26 -5.06 117.16 109.86 1ukx n TYR 62 Ca -0.01 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.59 1ukx n TYR 62 Cb 0.42 0.36 -0.17 0.00 -0.02 0.00 0.00 39.34 39.94 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 -1.73 1.71 0.07 -0.72 -7.23 -1.26 -1.45 120.40 109.78 1ukx s VAL 63 Ca 0.00 -0.84 -0.25 0.00 -1.81 0.00 0.00 61.98 59.08 1ukx s VAL 63 Cb 0.00 -1.48 0.06 0.00 0.56 0.00 0.00 36.38 35.53 1ukx s VAL 63 CO 0.00 0.48 0.60 0.00 -0.31 0.00 0.00 175.10 175.87 1ukx s GLN 64 N 0.22 1.14 0.08 4.82 1.03 -1.25 -4.25 119.66 121.45 1ukx s GLN 64 Ca -0.11 -0.20 -0.10 0.00 0.04 0.00 0.00 55.36 55.00 1ukx s GLN 64 Cb -0.15 0.53 0.00 0.00 0.03 0.00 0.00 33.01 33.42 1ukx s GLN 64 CO 0.05 -0.44 0.22 0.54 -2.54 0.00 0.00 175.29 173.12 1ukx s VAL 65 N -2.63 0.13 -0.11 3.63 0.11 -1.18 -1.25 120.40 119.10 1ukx s VAL 65 Ca -0.04 -1.04 -0.12 0.00 -2.93 0.00 0.00 61.98 57.84 1ukx s VAL 65 Cb -0.01 -1.22 -0.05 0.00 -1.53 0.00 0.00 36.38 33.58 1ukx s VAL 65 CO -0.03 -0.58 0.28 -1.61 -3.33 0.00 0.00 175.10 169.84 1ukx s GLU 66 N -3.52 3.96 -0.27 1.54 2.02 -0.40 -2.30 118.70 119.73 1ukx s GLU 66 Ca 0.02 0.12 -0.18 0.00 0.02 0.00 0.00 54.97 54.96 1ukx s GLU 66 Cb 0.03 -3.31 -0.03 0.00 0.10 0.00 0.00 34.13 30.93 1ukx s GLU 66 CO -0.09 0.50 0.50 -1.17 0.02 0.00 0.00 175.26 175.02 1ukx s LEU 67 N -0.35 4.07 -0.27 1.80 0.20 0.26 -1.02 118.68 123.38 1ukx s LEU 67 Ca 0.18 0.45 -0.07 0.00 0.69 0.00 0.00 54.13 55.38 1ukx s LEU 67 Cb -0.14 -2.63 -0.01 0.00 -0.43 0.00 0.00 46.19 42.99 1ukx s LEU 67 CO 0.06 -0.29 0.07 -0.60 -0.29 0.00 0.00 176.35 175.31 1ukx s ARG 68 N 2.29 3.36 0.08 1.98 6.06 0.25 -1.16 118.95 131.81 1ukx s ARG 68 Ca 0.20 -0.67 0.08 0.00 -2.50 0.00 0.00 55.73 52.84 1ukx s ARG 68 Cb -0.16 -3.34 -0.03 0.00 0.06 0.00 0.00 34.95 31.49 1ukx s ARG 68 CO 0.10 -0.32 -0.22 0.08 -2.50 0.00 0.00 175.30 172.43 1ukx s VAL 69 N 1.55 1.83 -0.17 7.11 1.01 -1.02 -2.32 120.40 128.40 1ukx s VAL 69 Ca 0.05 -1.44 0.06 0.00 0.00 0.00 0.00 61.98 60.65 1ukx s VAL 69 Cb -0.16 -1.62 -0.08 0.00 0.00 0.00 0.00 36.38 34.52 1ukx s VAL 69 CO 0.03 0.11 0.20 2.29 0.00 0.00 0.00 175.10 177.73 1ukx n LYS 70 N 1.41 3.01 -2.92 2.72 2.85 -1.26 -1.62 118.16 122.36 1ukx n LYS 70 Ca -0.18 -0.02 -0.02 0.00 -1.05 0.00 0.00 58.31 57.04 1ukx n LYS 70 Cb 0.53 -0.93 -0.02 0.00 -0.65 0.00 0.00 35.03 33.96 1ukx n LYS 70 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ukx s PRO 72 N -0.22 0.56 0.00 0.00 0.04 -1.26 -4.19 135.00 129.93 1ukx s PRO 72 Ca -0.10 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1ukx s PRO 72 Cb 0.01 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.86 1ukx s PRO 72 CO 0.26 -2.89 0.53 -0.35 0.04 0.00 0.00 177.00 174.59 1ukx n PRO 73 N -4.40 0.60 0.00 0.56 -0.04 -1.26 -1.40 135.00 129.06 1ukx n PRO 73 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1ukx n PRO 73 Cb 0.53 -1.07 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 -0.34 0.00 -1.73 0.52 -2.24 -1.26 -4.77 114.28 104.47 1ukx n THR 74 Ca 0.00 -0.32 -0.42 0.00 -2.27 0.00 0.00 64.05 61.03 1ukx n THR 74 Cb 0.04 1.29 -0.01 0.00 -2.10 0.00 0.00 70.33 69.55 1ukx n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ukx n TYR 75 N -0.11 2.61 0.46 4.78 9.36 -0.49 -0.61 117.16 133.16 1ukx n TYR 75 Ca 0.00 0.43 0.07 0.00 3.32 0.00 0.00 57.90 61.72 1ukx n TYR 75 Cb 0.07 -2.50 0.21 0.00 -0.63 0.00 0.00 39.34 36.49 1ukx n TYR 75 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1ukx n PRO 76 N 1.19 2.16 0.25 2.98 -0.04 -1.26 -4.86 135.00 135.42 1ukx n PRO 76 Ca 0.06 -1.72 0.09 0.00 -0.04 0.00 0.00 63.50 61.89 1ukx n PRO 76 Cb 0.36 -1.39 0.65 0.00 -0.04 0.00 0.00 33.50 33.07 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 2.77 0.00 -1.01 3.54 3.58 -1.14 -2.81 116.42 121.35 1ukx h ASP 77 Ca 0.00 0.00 -0.59 0.00 0.42 0.00 0.00 57.03 56.86 1ukx h ASP 77 Cb 0.67 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.64 1ukx h ASP 77 CO 0.01 0.13 -0.43 0.54 -2.88 0.00 0.00 179.24 176.61 1ukx s VAL 78 N -4.50 1.89 0.13 2.25 0.11 -1.22 -4.77 120.40 114.28 1ukx s VAL 78 Ca -0.04 -1.66 -0.28 0.00 -2.93 0.00 0.00 61.98 57.07 1ukx s VAL 78 Cb 0.15 -2.55 -0.07 0.00 -1.53 0.00 0.00 36.38 32.38 1ukx s VAL 78 CO 0.64 0.00 0.88 0.68 -3.33 0.00 0.00 175.10 173.97 1ukx s VAL 79 N -2.70 4.46 0.53 2.04 -7.23 -1.26 -4.60 120.40 111.63 1ukx s VAL 79 Ca 0.33 1.92 -0.18 0.00 -1.81 0.00 0.00 61.98 62.24 1ukx s VAL 79 Cb 0.01 -4.25 -0.07 0.00 0.56 0.00 0.00 36.38 32.63 1ukx s VAL 79 CO 0.19 0.39 1.02 -2.16 -0.31 0.00 0.00 175.10 174.23 1ukx s PRO 80 N -0.40 3.70 0.46 4.82 0.04 -1.26 -4.92 135.00 137.44 1ukx s PRO 80 Ca 0.42 1.17 -0.25 0.00 0.04 0.00 0.00 61.00 62.39 1ukx s PRO 80 Cb -0.23 -2.09 -0.08 0.00 0.04 0.00 0.00 34.50 32.14 1ukx s PRO 80 CO 0.28 -0.49 1.39 0.39 0.04 0.00 0.00 177.00 178.61 1ukx n GLU 81 N -1.49 2.12 -4.22 4.56 4.71 -1.26 -5.00 120.64 120.06 1ukx n GLU 81 Ca 0.08 0.76 -0.26 0.00 -0.01 0.00 0.00 57.16 57.73 1ukx n GLU 81 Cb 0.53 -2.57 -0.17 0.00 -1.01 0.00 0.00 31.44 28.22 1ukx n GLU 81 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1ukx s ILE 82 N -1.21 1.07 -0.03 -3.67 1.01 -1.26 -4.40 121.20 112.71 1ukx s ILE 82 Ca 0.62 -0.38 0.03 0.00 0.00 0.00 0.00 60.65 60.93 1ukx s ILE 82 Cb -0.46 -1.04 0.00 0.00 0.01 0.00 0.00 42.46 40.98 1ukx s ILE 82 CO 0.57 0.36 -0.12 -1.81 0.00 0.00 0.00 174.94 173.94 1ukx s ASP 83 N 1.21 1.55 -0.21 3.58 1.01 -0.98 -5.04 116.67 117.79 1ukx s ASP 83 Ca -0.04 -0.25 -0.02 0.00 0.71 0.00 0.00 52.55 52.96 1ukx s ASP 83 Cb -0.14 -0.44 0.01 0.00 1.01 0.00 0.00 42.92 43.36 1ukx s ASP 83 CO -0.03 0.09 -0.11 -0.76 0.21 0.00 0.00 175.17 174.58 1ukx s LEU 84 N 0.19 2.66 0.38 1.23 1.02 -1.26 -0.58 118.68 122.32 1ukx s LEU 84 Ca -0.04 -0.59 0.08 0.00 0.02 0.00 0.00 54.13 53.60 1ukx s LEU 84 Cb -0.10 -1.62 -0.07 0.00 0.02 0.00 0.00 46.19 44.42 1ukx s LEU 84 CO 0.01 -0.03 0.01 -0.54 0.02 0.00 0.00 176.35 175.82 1ukx s LYS 85 N 1.37 1.99 -1.91 1.70 -0.14 -0.19 -4.82 119.74 117.75 1ukx s LYS 85 Ca 0.04 -1.94 0.00 0.00 -1.36 0.00 0.00 55.97 52.71 1ukx s LYS 85 Cb -0.14 -1.78 0.00 0.00 -1.68 0.00 0.00 37.83 34.23 1ukx s LYS 85 CO -0.07 0.03 0.00 0.09 -0.76 0.00 0.00 175.35 174.64 1ukx n ASN 86 N -0.96 -5.17 -4.73 2.83 3.02 -1.26 -1.28 115.26 107.70 1ukx n ASN 86 Ca -0.04 0.34 -0.42 0.00 -0.03 0.00 0.00 54.58 54.43 1ukx n ASN 86 Cb 0.65 -4.52 -0.01 0.00 -0.61 0.00 0.00 39.78 35.29 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 0.21 1.82 -2.87 5.41 0.00 -1.26 -4.74 120.51 119.07 1ukx n ALA 87 Ca -0.20 0.36 -0.22 0.00 0.00 0.00 0.00 53.44 53.38 1ukx n ALA 87 Cb 0.64 -2.34 -0.04 0.00 0.00 0.00 0.00 19.45 17.72 1ukx n ALA 87 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ukx s LYS 88 N -1.71 3.10 0.00 0.00 3.01 -0.38 -3.71 119.74 120.05 1ukx s LYS 88 Ca 0.56 -0.94 0.00 0.00 -1.01 0.00 0.00 55.97 54.58 1ukx s LYS 88 Cb -0.53 -2.68 0.00 0.00 -1.01 0.00 0.00 37.83 33.61 1ukx s LYS 88 CO 0.61 0.42 0.00 0.41 0.51 0.00 0.00 175.35 177.29 1ukx n GLY 89 N -1.20 1.33 0.19 -3.33 0.00 -0.53 -3.87 105.19 97.78 1ukx n GLY 89 Ca -0.08 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 1ukx n GLY 89 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ukx h LEU 90 N 0.00 0.65 0.00 0.99 3.38 -1.85 -3.48 115.31 115.00 1ukx h LEU 90 Ca 0.00 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1ukx h LEU 90 Cb 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1ukx h LEU 90 CO 0.00 1.21 0.00 -0.24 0.09 0.00 0.00 178.44 179.50 1ukx n SER 91 N -3.86 0.00 0.00 -0.43 2.88 -1.24 -1.09 113.62 109.88 1ukx n SER 91 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1ukx n SER 91 Cb 0.74 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.20 1ukx n SER 91 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1ukx n ASN 92 N 0.00 0.00 0.00 -3.46 3.02 -1.26 -4.20 115.26 109.36 1ukx n ASN 92 Ca 0.00 -0.46 0.00 0.00 -0.03 0.00 0.00 54.58 54.09 1ukx n ASN 92 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1ukx n ASN 92 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ukx n GLU 93 N 0.00 0.00 0.00 3.52 1.02 -0.25 -2.45 120.64 122.48 1ukx n GLU 93 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.17 1ukx n GLU 93 Cb 0.11 -0.58 0.18 0.00 -0.02 0.00 0.00 31.44 31.13 1ukx n GLU 93 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1ukx n SER 94 N -0.18 0.00 -0.12 1.62 7.64 -1.26 -2.11 113.62 119.22 1ukx n SER 94 Ca 0.00 -0.87 -0.11 0.00 1.01 0.00 0.00 58.87 58.90 1ukx n SER 94 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 1ukx n SER 94 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1ukx h VAL 95 N 0.00 1.27 -0.31 0.44 2.07 -1.87 0.03 116.25 117.89 1ukx h VAL 95 Ca 0.00 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.06 1ukx h VAL 95 Cb 0.00 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1ukx h VAL 95 CO 0.00 0.49 0.20 0.78 0.02 0.00 0.00 177.57 179.06 1ukx h ASN 96 N 0.76 0.36 0.43 0.57 2.35 -1.08 -0.87 115.58 118.09 1ukx h ASN 96 Ca 0.08 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1ukx h ASN 96 Cb 0.86 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 39.14 1ukx h ASN 96 CO 0.08 0.27 -0.26 0.25 -1.65 0.00 0.00 177.43 176.12 1ukx h LEU 97 N 0.41 -0.64 -1.24 1.61 6.46 -1.61 -1.11 115.31 119.19 1ukx h LEU 97 Ca 0.11 0.04 -0.07 0.00 -0.12 0.00 0.00 57.88 57.84 1ukx h LEU 97 Cb -0.03 0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 1ukx h LEU 97 CO -0.02 -0.41 -0.20 0.25 -0.62 0.00 0.00 178.44 177.43 1ukx h LEU 98 N -0.66 0.26 0.22 2.25 5.85 -0.98 -1.03 115.31 121.22 1ukx h LEU 98 Ca -0.05 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1ukx h LEU 98 Cb 0.53 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1ukx h LEU 98 CO 0.06 0.48 -0.19 0.50 -0.34 0.00 0.00 178.44 178.95 1ukx h LYS 99 N 0.25 -0.42 -0.55 1.25 3.64 -0.78 -0.07 116.57 119.89 1ukx h LYS 99 Ca 0.04 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.56 1ukx h LYS 99 Cb 0.50 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 1ukx h LYS 99 CO 0.03 -0.28 0.38 0.77 -2.27 0.00 0.00 179.45 178.08 1ukx h SER 100 N -0.43 0.28 -0.05 4.20 0.02 -0.19 0.14 113.55 117.52 1ukx h SER 100 Ca -0.01 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1ukx h SER 100 Cb 0.39 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 1ukx h SER 100 CO -0.02 0.17 -0.08 0.45 -1.14 0.00 0.00 176.83 176.20 1ukx h HIS 101 N 0.31 0.18 -0.61 3.45 3.86 -0.73 -3.12 115.15 118.48 1ukx h HIS 101 Ca 0.26 -0.06 -0.06 0.00 -1.16 0.00 0.00 60.37 59.35 1ukx h HIS 101 Cb 0.60 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 29.01 1ukx h HIS 101 CO -0.00 0.65 0.15 -0.07 0.86 0.00 0.00 177.93 179.52 1ukx h LEU 102 N -0.35 0.93 -1.94 2.43 3.38 -0.13 0.14 115.31 119.76 1ukx h LEU 102 Ca 0.00 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1ukx h LEU 102 Cb 0.64 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1ukx h LEU 102 CO 0.02 0.92 -0.11 -0.33 0.09 0.00 0.00 178.44 179.03 1ukx h GLU 103 N 0.90 0.00 0.07 1.13 5.08 -0.83 -0.25 114.58 120.68 1ukx h GLU 103 Ca 0.19 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.24 1ukx h GLU 103 Cb 0.36 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1ukx h GLU 103 CO 0.00 0.11 -1.73 0.39 -1.00 0.00 0.00 179.01 176.79 1ukx n GLU 104 N -3.91 0.68 -0.28 2.33 -0.58 -1.07 -4.09 120.64 113.72 1ukx n GLU 104 Ca -0.02 0.39 0.07 0.00 -0.42 0.00 0.00 57.16 57.18 1ukx n GLU 104 Cb 0.21 -1.72 0.22 0.00 -0.57 0.00 0.00 31.44 29.58 1ukx n GLU 104 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1ukx h LEU 105 N -0.37 0.39 -0.86 -4.62 5.85 -0.50 -1.06 115.31 114.14 1ukx h LEU 105 Ca -0.40 0.11 0.14 0.00 0.84 0.00 0.00 57.88 58.57 1ukx h LEU 105 Cb 1.74 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 42.74 1ukx h LEU 105 CO -0.04 0.13 0.46 0.00 -0.34 0.00 0.00 178.44 178.65 1ukx h ALA 106 N 1.58 1.30 -0.66 1.25 0.00 -1.19 -0.60 119.26 120.94 1ukx h ALA 106 Ca 0.46 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.41 1ukx h ALA 106 Cb 0.72 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1ukx h ALA 106 CO -0.41 -0.06 0.24 0.87 0.00 0.00 0.00 179.25 179.89 1ukx h LYS 107 N 0.66 0.99 0.00 0.00 6.56 -1.34 -0.05 116.57 123.39 1ukx h LYS 107 Ca 0.47 -0.19 0.00 0.00 -1.06 0.00 0.00 60.65 59.87 1ukx h LYS 107 Cb 0.64 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 32.15 1ukx h LYS 107 CO -0.35 0.84 0.00 1.63 -2.06 0.00 0.00 179.45 179.51 1ukx n LYS 108 N -4.39 0.08 0.00 3.15 5.02 -0.33 -1.58 118.16 120.12 1ukx n LYS 108 Ca 0.05 0.26 0.04 0.00 -2.02 0.00 0.00 58.31 56.63 1ukx n LYS 108 Cb 0.19 -1.64 0.03 0.00 -0.02 0.00 0.00 35.03 33.59 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 -1.79 0.46 -2.29 1.97 1.13 -0.64 -5.02 117.38 111.20 1ukx n GLN 109 Ca 0.04 -0.92 -0.42 0.00 -1.94 0.00 0.00 57.00 53.76 1ukx n GLN 109 Cb 0.24 -1.14 -0.03 0.00 0.11 0.00 0.00 30.24 29.43 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 5.29 1.44 3.43 0.00 0.00 -1.06 -4.97 105.19 109.31 1ukx n GLY 111 Ca 0.16 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 1.71 -1.16 1.61 2.12 -1.15 -4.72 118.70 117.12 1ukx s GLU 112 Ca 0.00 -2.00 -0.21 0.00 0.36 0.00 0.00 54.97 53.12 1ukx s GLU 112 Cb 0.00 -0.48 -0.01 0.00 0.26 0.00 0.00 34.13 33.90 1ukx s GLU 112 CO 0.00 -0.38 1.81 0.14 -0.54 0.00 0.00 175.26 176.29 1ukx s VAL 113 N -3.40 3.76 -0.69 3.70 -7.23 -1.26 -4.78 120.40 110.50 1ukx s VAL 113 Ca 0.32 -1.15 0.25 0.00 -1.81 0.00 0.00 61.98 59.59 1ukx s VAL 113 Cb 0.05 -4.76 0.26 0.00 0.56 0.00 0.00 36.38 32.50 1ukx s VAL 113 CO 0.16 -1.44 1.76 1.15 -0.31 0.00 0.00 175.10 176.42 1ukx n MET 114 N 8.47 0.20 -0.28 4.82 0.00 -1.26 -3.92 117.12 125.16 1ukx n MET 114 Ca 0.44 0.26 0.10 0.00 0.00 0.00 0.00 57.70 58.50 1ukx n MET 114 Cb 0.47 -1.78 0.24 0.00 0.00 0.00 0.00 33.22 32.15 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 0.39 -0.73 3.17 2.04 -1.98 -0.39 117.51 120.02 1ukx h ILE 115 Ca 0.00 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1ukx h ILE 115 Cb 0.58 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1ukx h ILE 115 CO 0.00 0.04 0.38 -0.26 0.00 0.00 0.00 178.15 178.31 1ukx h PHE 116 N 0.23 1.02 -0.18 1.37 0.04 -2.00 -1.94 116.94 115.48 1ukx h PHE 116 Ca 0.49 -0.04 -0.18 0.00 2.80 0.00 0.00 57.97 61.05 1ukx h PHE 116 Cb 0.93 -0.32 -0.00 0.00 2.20 0.00 0.00 35.95 38.76 1ukx h PHE 116 CO -0.28 0.73 -0.62 1.49 -0.60 0.00 0.00 178.31 179.04 1ukx h GLU 117 N 1.01 0.63 -0.26 1.51 4.57 -1.44 -2.01 114.58 118.59 1ukx h GLU 117 Ca 0.25 -0.44 0.05 0.00 -1.18 0.00 0.00 59.36 58.04 1ukx h GLU 117 Cb 0.07 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.68 1ukx h GLU 117 CO -0.04 1.05 -0.01 -0.07 -1.18 0.00 0.00 179.01 178.77 1ukx h LEU 118 N 0.47 -0.12 0.27 1.64 3.38 -0.50 0.96 115.31 121.40 1ukx h LEU 118 Ca -0.01 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1ukx h LEU 118 Cb 1.19 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 42.02 1ukx h LEU 118 CO 0.12 -0.03 -0.43 0.00 0.09 0.00 0.00 178.44 178.19 1ukx h ALA 119 N 1.23 -0.85 -0.91 1.53 0.00 -1.39 -2.89 119.26 115.97 1ukx h ALA 119 Ca 0.12 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.01 1ukx h ALA 119 Cb 0.16 0.67 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 1ukx h ALA 119 CO -0.22 -1.03 0.58 0.45 0.00 0.00 0.00 179.25 179.03 1ukx h HIS 120 N -0.76 0.99 -0.26 0.00 3.86 -0.65 -1.17 115.15 117.15 1ukx h HIS 120 Ca -0.01 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1ukx h HIS 120 Cb 0.73 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 1ukx h HIS 120 CO -0.30 0.46 0.16 1.25 0.86 0.00 0.00 177.93 180.36 1ukx h HIS 121 N 0.92 0.33 -0.82 2.45 6.17 -0.85 -1.04 115.15 122.30 1ukx h HIS 121 Ca 0.42 0.00 -0.00 0.00 0.71 0.00 0.00 60.37 61.50 1ukx h HIS 121 Cb 0.39 -0.11 -0.04 0.00 2.52 0.00 0.00 27.41 30.17 1ukx h HIS 121 CO -0.00 0.22 0.50 0.28 0.71 0.00 0.00 177.93 179.65 1ukx h VAL 122 N 0.34 1.23 -0.35 5.26 2.07 -1.08 -1.25 116.25 122.47 1ukx h VAL 122 Ca 0.09 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 1ukx h VAL 122 Cb -0.02 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.80 1ukx h VAL 122 CO -0.02 0.24 0.03 1.56 0.02 0.00 0.00 177.57 179.40 1ukx h GLN 123 N 1.13 0.52 0.09 1.57 4.20 -0.76 0.13 115.11 121.99 1ukx h GLN 123 Ca 0.30 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 1ukx h GLN 123 Cb -0.05 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.64 1ukx h GLN 123 CO -0.06 0.53 -0.04 0.77 -0.67 0.00 0.00 178.83 179.36 1ukx h SER 124 N 0.51 -0.10 -0.62 1.46 0.02 -0.75 -2.94 113.55 111.12 1ukx h SER 124 Ca 0.11 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 1ukx h SER 124 Cb 0.28 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 1ukx h SER 124 CO 0.00 0.12 0.25 0.15 -1.14 0.00 0.00 176.83 176.21 1ukx h PHE 125 N -0.32 0.98 0.59 3.45 3.57 -0.81 -2.37 116.94 122.03 1ukx h PHE 125 Ca -0.01 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.39 1ukx h PHE 125 Cb 0.27 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.71 1ukx h PHE 125 CO -0.01 0.76 -0.30 -0.07 -2.23 0.00 0.00 178.31 176.46 1ukx h LEU 126 N 0.95 -0.73 -1.93 0.59 3.38 -0.72 -1.85 115.31 115.00 1ukx h LEU 126 Ca 0.22 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1ukx h LEU 126 Cb 0.20 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1ukx h LEU 126 CO -0.02 -0.50 0.00 0.28 0.09 0.00 0.00 178.44 178.29 1ukx h SER 127 N -0.82 0.00 0.16 -0.43 0.02 -1.33 0.22 113.55 111.36 1ukx h SER 127 Ca -0.08 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1ukx h SER 127 Cb 0.64 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1ukx h SER 127 CO 0.12 0.00 -0.08 -0.33 -1.14 0.00 0.00 176.83 175.40 1ukx h GLU 128 N 0.00 -0.21 0.00 3.45 5.08 -0.99 -3.31 114.58 118.60 1ukx h GLU 128 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1ukx h GLU 128 Cb 0.19 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1ukx h GLU 128 CO 0.00 0.18 0.00 0.72 -1.00 0.00 0.00 179.01 178.91 1ukx n HIS 129 N -4.90 0.32 -2.51 4.33 8.25 -0.73 -4.68 115.22 115.30 1ukx n HIS 129 Ca -0.07 0.12 -0.42 0.00 -0.26 0.00 0.00 57.72 57.09 1ukx n HIS 129 Cb 0.24 -0.69 -0.03 0.00 1.12 0.00 0.00 29.99 30.63 1ukx n HIS 129 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1ukx s ASN 130 N -3.51 7.16 -0.04 0.41 3.04 0.73 -4.98 114.94 117.75 1ukx s ASN 130 Ca 0.08 1.90 -0.04 0.00 0.04 0.00 0.00 52.86 54.85 1ukx s ASN 130 Cb 0.11 -2.58 0.01 0.00 -1.54 0.00 0.00 41.25 37.26 1ukx s ASN 130 CO 0.38 -0.41 0.12 -0.54 -3.04 0.00 0.00 177.10 173.61 1ukx s LYS 131 N 1.08 0.12 -0.70 0.43 -0.14 -1.26 -4.88 119.74 114.39 1ukx s LYS 131 Ca 0.57 0.18 -0.26 0.00 -1.36 0.00 0.00 55.97 55.10 1ukx s LYS 131 Cb -0.27 0.03 -0.03 0.00 -1.68 0.00 0.00 37.83 35.88 1ukx s LYS 131 CO 0.29 -0.03 1.92 -1.12 -0.76 0.00 0.00 175.35 175.64 1ukx s SER 132 N 0.20 5.16 0.57 2.83 0.01 -1.26 -4.98 113.70 116.24 1ukx s SER 132 Ca -0.01 0.04 0.04 0.00 1.31 0.00 0.00 55.95 57.34 1ukx s SER 132 Cb -0.02 -2.54 0.06 0.00 0.21 0.00 0.00 66.02 63.74 1ukx s SER 132 CO -0.01 -2.55 0.79 -0.83 0.41 0.00 0.00 173.24 171.06 1ukx s GLY 133 N 8.32 1.81 -0.89 3.44 0.00 -1.26 -5.05 107.32 113.69 1ukx s GLY 133 Ca 0.70 -1.71 -0.24 0.00 0.00 0.00 0.00 44.72 43.47 1ukx s GLY 133 CO 0.14 -1.33 1.34 2.56 0.00 0.00 0.00 173.10 175.80 1ukx s PRO 134 N -4.74 3.41 0.38 2.90 0.04 -1.26 -5.00 135.00 130.74 1ukx s PRO 134 Ca 0.60 -0.81 0.04 0.00 0.04 0.00 0.00 61.00 60.87 1ukx s PRO 134 Cb -0.08 -4.83 -0.05 0.00 0.04 0.00 0.00 34.50 29.59 1ukx s PRO 134 CO 0.39 -2.14 0.07 -1.12 0.04 0.00 0.00 177.00 174.24 1ukx s SER 135 N 4.36 2.87 0.62 6.66 0.01 -1.26 -5.11 113.70 121.85 1ukx s SER 135 Ca 0.40 -1.50 0.00 0.00 1.31 0.00 0.00 55.95 56.15 1ukx s SER 135 Cb -0.04 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.33 1ukx s SER 135 CO 0.00 -0.72 0.00 -1.20 0.41 0.00 0.00 173.24 171.73 1ukx n SER 136 N -0.98 -1.73 0.00 2.44 7.64 -1.26 -5.20 113.62 114.52 1ukx n SER 136 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1ukx n SER 136 Cb 0.66 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 1ukx n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64