#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 0.71 -0.38 1.61 0.01 -1.26 -5.12 113.70 109.28 1ukx s SER 2 Ca 0.00 -0.22 0.04 0.00 1.31 0.00 0.00 55.95 57.08 1ukx s SER 2 Cb 0.00 -0.04 0.16 0.00 0.21 0.00 0.00 66.02 66.35 1ukx s SER 2 CO 0.00 -0.01 0.42 -0.44 0.41 0.00 0.00 173.24 173.62 1ukx s SER 3 N -0.53 0.72 0.62 2.44 0.01 -1.26 -5.10 113.70 110.60 1ukx s SER 3 Ca -0.01 -1.44 0.00 0.00 1.31 0.00 0.00 55.95 55.81 1ukx s SER 3 Cb -0.04 0.79 0.00 0.00 0.21 0.00 0.00 66.02 66.98 1ukx s SER 3 CO -0.00 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.01 1ukx n GLY 4 N 4.28 1.93 3.60 3.44 0.00 -1.26 -4.80 105.19 112.38 1ukx n GLY 4 Ca 0.11 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 1ukx n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ukx s SER 5 N -4.00 -0.72 0.40 1.61 0.01 -1.26 -5.14 113.70 104.59 1ukx s SER 5 Ca 0.00 1.32 0.00 0.00 1.31 0.00 0.00 55.95 58.58 1ukx s SER 5 Cb 0.00 1.32 0.00 0.00 0.21 0.00 0.00 66.02 67.55 1ukx s SER 5 CO 0.00 -0.29 0.00 -1.20 0.41 0.00 0.00 173.24 172.16 1ukx n SER 6 N 2.47 0.00 -4.30 2.44 7.64 -1.26 -4.73 113.62 115.88 1ukx n SER 6 Ca -0.15 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.55 1ukx n SER 6 Cb 0.55 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.65 1ukx n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ukx s GLY 7 N -0.46 1.88 -0.47 0.23 0.00 -1.26 -5.10 107.32 102.14 1ukx s GLY 7 Ca 0.00 -1.87 -0.27 0.00 0.00 0.00 0.00 44.72 42.58 1ukx s GLY 7 CO 0.00 -1.65 1.89 1.06 0.00 0.00 0.00 173.10 174.40 1ukx s MET 8 N -3.97 2.90 0.07 2.90 1.00 -1.26 -4.91 119.30 116.03 1ukx s MET 8 Ca 0.37 1.08 -0.35 0.00 0.00 0.00 0.00 55.69 56.79 1ukx s MET 8 Cb 0.07 -4.32 -0.18 0.00 0.00 0.00 0.00 34.83 30.40 1ukx s MET 8 CO 0.14 -2.38 1.53 1.49 0.00 0.00 0.00 175.02 175.80 1ukx h GLU 9 N 14.49 -1.08 0.00 2.03 4.22 -1.97 -3.47 114.58 128.81 1ukx h GLU 9 Ca -0.29 0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.22 1ukx h GLU 9 Cb 1.18 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.67 1ukx h GLU 9 CO 1.12 -0.72 0.00 0.45 -2.18 0.00 0.00 179.01 177.69 1ukx n SER 10 N -5.41 -1.69 0.00 1.04 2.88 -1.26 -5.02 113.62 104.16 1ukx n SER 10 Ca -0.14 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 1ukx n SER 10 Cb 0.47 1.86 0.00 0.00 -0.75 0.00 0.00 64.21 65.80 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 -2.87 0.00 -0.11 0.66 4.01 -1.26 -4.95 117.16 112.64 1ukx n TYR 11 Ca 0.00 0.00 0.26 0.00 -0.16 0.00 0.00 57.90 58.00 1ukx n TYR 11 Cb 0.00 0.00 0.71 0.00 -0.31 0.00 0.00 39.34 39.74 1ukx n TYR 11 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1ukx h SER 12 N 0.00 0.00 -0.56 7.72 4.64 -1.85 0.13 113.55 123.63 1ukx h SER 12 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1ukx h SER 12 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1ukx h SER 12 CO 0.00 0.00 -0.06 1.56 -0.87 0.00 0.00 176.83 177.46 1ukx h GLN 13 N 0.00 1.03 -0.60 4.77 1.08 -1.92 -0.96 115.11 118.51 1ukx h GLN 13 Ca 0.36 -0.36 -0.10 0.00 -1.45 0.00 0.00 58.65 57.11 1ukx h GLN 13 Cb 1.46 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.79 1ukx h GLN 13 CO -0.00 1.05 -0.01 0.00 -0.95 0.00 0.00 178.83 178.92 1ukx h ARG 14 N 0.91 1.05 0.47 1.46 3.08 -1.37 -0.36 114.38 119.62 1ukx h ARG 14 Ca 0.15 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 1ukx h ARG 14 Cb 0.62 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1ukx h ARG 14 CO 0.04 1.03 -0.32 1.96 -1.07 0.00 0.00 179.97 181.61 1ukx h GLN 15 N 0.96 -0.74 -0.59 0.04 4.20 -1.27 -1.05 115.11 116.66 1ukx h GLN 15 Ca 0.17 0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.89 1ukx h GLN 15 Cb 0.56 0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.48 1ukx h GLN 15 CO 0.03 -0.49 0.19 0.22 -0.67 0.00 0.00 178.83 178.11 1ukx h ASP 16 N -0.76 0.82 -0.88 1.46 1.82 -1.10 -1.00 116.42 116.79 1ukx h ASP 16 Ca -0.05 -0.13 0.12 0.00 -0.39 0.00 0.00 57.03 56.58 1ukx h ASP 16 Cb 0.64 -0.21 -0.07 0.00 0.68 0.00 0.00 39.33 40.37 1ukx h ASP 16 CO 0.03 0.77 0.57 0.45 -1.61 0.00 0.00 179.24 179.44 1ukx h HIS 17 N 0.86 0.87 0.01 0.28 3.86 -0.89 -1.08 115.15 119.07 1ukx h HIS 17 Ca 0.20 0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.27 1ukx h HIS 17 Cb 0.24 -0.28 0.01 0.00 1.06 0.00 0.00 27.41 28.45 1ukx h HIS 17 CO 0.02 0.36 -0.65 1.49 0.86 0.00 0.00 177.93 180.01 1ukx h GLU 18 N 0.77 0.42 -0.59 2.45 4.81 0.07 -2.95 114.58 119.57 1ukx h GLU 18 Ca 0.42 -0.47 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1ukx h GLU 18 Cb 0.55 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 1ukx h GLU 18 CO -0.19 1.13 0.38 -0.07 -0.73 0.00 0.00 179.01 179.53 1ukx h LEU 19 N -0.09 0.69 -1.72 1.64 3.38 -0.97 -0.05 115.31 118.19 1ukx h LEU 19 Ca -0.08 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1ukx h LEU 19 Cb 1.36 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1ukx h LEU 19 CO 0.13 0.52 0.13 1.56 0.09 0.00 0.00 178.44 180.87 1ukx h GLN 20 N 0.80 0.32 -0.07 1.13 4.20 -1.26 0.10 115.11 120.33 1ukx h GLN 20 Ca 0.21 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 1ukx h GLN 20 Cb -0.06 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 1ukx h GLN 20 CO -0.04 0.23 -0.06 0.00 -0.67 0.00 0.00 178.83 178.28 1ukx h ALA 21 N 1.83 0.10 -0.93 3.87 0.00 -1.05 -2.78 119.26 120.31 1ukx h ALA 21 Ca 0.09 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.78 1ukx h ALA 21 Cb 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1ukx h ALA 21 CO -0.02 -0.10 0.60 -0.07 0.00 0.00 0.00 179.25 179.67 1ukx h LEU 22 N -0.26 0.94 -1.70 0.00 3.38 -0.20 0.28 115.31 117.75 1ukx h LEU 22 Ca 0.01 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1ukx h LEU 22 Cb 0.57 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1ukx h LEU 22 CO 0.02 0.60 -0.15 -0.08 0.09 0.00 0.00 178.44 178.92 1ukx h GLU 23 N 1.07 0.00 0.00 1.13 4.81 -0.85 -2.08 114.58 118.66 1ukx h GLU 23 Ca 0.40 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.50 1ukx h GLU 23 Cb 0.18 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1ukx h GLU 23 CO -0.15 0.15 -1.08 0.00 -0.73 0.00 0.00 179.01 177.19 1ukx n ALA 24 N -2.26 0.72 0.39 2.92 0.00 -0.38 -3.26 120.51 118.64 1ukx n ALA 24 Ca -0.01 -0.61 -0.18 0.00 0.00 0.00 0.00 53.44 52.64 1ukx n ALA 24 Cb 0.29 -0.12 -0.09 0.00 0.00 0.00 0.00 19.45 19.53 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 0.30 0.00 0.00 5.03 -1.05 -3.36 117.51 117.42 1ukx h ILE 25 Ca -0.19 -0.01 0.00 0.00 -0.12 0.00 0.00 64.86 64.54 1ukx h ILE 25 Cb 0.97 0.30 0.00 0.00 -3.03 0.00 0.00 36.82 35.06 1ukx h ILE 25 CO -0.11 0.00 -0.07 1.88 -0.68 0.00 0.00 178.15 179.16 1ukx h TYR 26 N -0.96 0.00 0.00 1.37 0.05 -1.59 -3.48 116.97 112.35 1ukx h TYR 26 Ca -0.10 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.68 1ukx h TYR 26 Cb 0.74 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.48 1ukx h TYR 26 CO -0.02 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.50 1ukx n GLY 27 N 1.79 0.41 0.00 3.88 0.00 -1.20 -4.53 105.19 105.54 1ukx n GLY 27 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.19 0.00 0.15 1.61 7.64 -1.26 -4.91 113.62 116.66 1ukx n SER 28 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.90 1ukx n SER 28 Cb 0.10 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.49 1ukx n SER 28 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 1ukx h ASP 29 N 0.00 0.00 -2.99 6.43 2.03 -1.92 -3.45 116.42 116.52 1ukx h ASP 29 Ca 0.00 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.74 1ukx h ASP 29 Cb 0.00 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.47 1ukx h ASP 29 CO 0.00 0.54 0.81 0.12 -1.03 0.00 0.00 179.24 179.68 1ukx s PHE 30 N -3.44 3.00 -0.29 4.15 5.36 -1.26 -3.68 117.98 121.83 1ukx s PHE 30 Ca 0.00 1.10 -0.00 0.00 -0.96 0.00 0.00 56.93 57.07 1ukx s PHE 30 Cb 0.11 -3.47 0.05 0.00 -0.34 0.00 0.00 43.02 39.37 1ukx s PHE 30 CO 0.73 -1.53 -0.03 -0.65 -1.46 0.00 0.00 175.22 172.28 1ukx s GLN 31 N 2.90 2.38 0.37 10.12 -0.21 -0.03 -4.98 119.66 130.20 1ukx s GLN 31 Ca 0.55 -1.29 -0.27 0.00 0.02 0.00 0.00 55.36 54.38 1ukx s GLN 31 Cb -0.23 -3.09 -0.09 0.00 1.00 0.00 0.00 33.01 30.60 1ukx s GLN 31 CO 0.18 -0.60 1.21 0.16 -2.12 0.00 0.00 175.29 174.11 1ukx s ASP 32 N 1.21 6.66 -0.08 5.90 1.47 -1.26 -0.68 116.67 129.88 1ukx s ASP 32 Ca -0.06 2.45 0.12 0.00 1.18 0.00 0.00 52.55 56.24 1ukx s ASP 32 Cb -0.20 -2.63 0.22 0.00 -0.34 0.00 0.00 42.92 39.98 1ukx s ASP 32 CO -0.02 -0.59 1.11 0.18 0.68 0.00 0.00 175.17 176.53 1ukx n LEU 33 N 0.40 1.47 -3.87 2.11 4.77 -0.44 -4.92 117.00 116.53 1ukx n LEU 33 Ca 0.02 -2.39 -0.11 0.00 -0.03 0.00 0.00 56.01 53.51 1ukx n LEU 33 Cb 0.45 -0.25 -0.10 0.00 -2.33 0.00 0.00 43.42 41.19 1ukx n LEU 33 CO 0.54 0.63 -0.17 0.00 -1.33 0.00 0.00 177.39 177.06 1ukx s ARG 34 N -1.67 0.50 0.73 3.23 1.04 -1.25 -4.77 118.95 116.76 1ukx s ARG 34 Ca 0.22 -0.41 -0.11 0.00 -1.04 0.00 0.00 55.73 54.39 1ukx s ARG 34 Cb 0.21 0.21 0.03 0.00 -2.04 0.00 0.00 34.95 33.35 1ukx s ARG 34 CO -0.01 -0.12 1.09 -1.25 -0.04 0.00 0.00 175.30 174.97 1ukx s PRO 35 N -1.43 2.65 -0.13 3.89 0.04 -1.26 -5.01 135.00 133.75 1ukx s PRO 35 Ca -0.15 0.59 -0.01 0.00 0.04 0.00 0.00 61.00 61.47 1ukx s PRO 35 Cb -0.07 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 1ukx s PRO 35 CO 0.02 -1.21 -0.10 0.34 0.04 0.00 0.00 177.00 176.08 1ukx s ASP 36 N -4.14 4.29 -0.25 6.66 2.15 -1.26 -4.95 116.67 119.17 1ukx s ASP 36 Ca 0.59 -0.25 -0.07 0.00 0.43 0.00 0.00 52.55 53.25 1ukx s ASP 36 Cb -0.12 -1.62 0.12 0.00 -0.30 0.00 0.00 42.92 41.00 1ukx s ASP 36 CO 0.53 0.18 0.51 0.00 -0.17 0.00 0.00 175.17 176.22 1ukx s ALA 37 N 0.26 -1.55 -0.02 3.66 0.00 -1.26 -5.03 121.76 117.82 1ukx s ALA 37 Ca -0.07 1.76 0.12 0.00 0.00 0.00 0.00 51.96 53.76 1ukx s ALA 37 Cb -0.15 -1.59 -0.11 0.00 0.00 0.00 0.00 23.12 21.26 1ukx s ALA 37 CO 0.04 -0.92 1.20 -0.09 0.00 0.00 0.00 175.76 175.99 1ukx h ARG 38 N 8.10 0.00 -1.99 0.00 2.43 -1.99 -3.41 114.38 117.51 1ukx h ARG 38 Ca -0.18 0.00 -0.49 0.00 -0.81 0.00 0.00 59.98 58.50 1ukx h ARG 38 Cb 1.12 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 30.27 1ukx h ARG 38 CO 0.14 0.68 -1.18 0.41 -1.51 0.00 0.00 179.97 178.51 1ukx n GLY 39 N 1.34 3.47 0.00 2.80 0.00 -1.26 -5.07 105.19 106.47 1ukx n GLY 39 Ca -0.03 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 0.48 0.00 -0.52 1.61 0.63 -1.26 -5.15 116.66 112.45 1ukx n ARG 40 Ca 0.24 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.88 1ukx n ARG 40 Cb 0.64 0.00 0.24 0.00 0.45 0.00 0.00 32.46 33.78 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 0.00 0.00 -4.94 5.15 3.14 -1.26 -5.06 118.33 115.36 1ukx n VAL 41 Ca 0.00 -0.38 -0.32 0.00 -2.96 0.00 0.00 64.34 60.68 1ukx n VAL 41 Cb 0.00 -0.95 -0.14 0.00 -1.06 0.00 0.00 33.84 31.70 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 -4.30 2.66 0.07 1.45 3.00 -1.26 -4.87 118.95 115.70 1ukx s ARG 42 Ca 0.67 -0.74 0.01 0.00 -1.00 0.00 0.00 55.73 54.67 1ukx s ARG 42 Cb -0.24 -2.38 -0.04 0.00 0.00 0.00 0.00 34.95 32.30 1ukx s ARG 42 CO 0.65 0.51 -0.06 -1.21 0.00 0.00 0.00 175.30 175.18 1ukx s GLU 43 N -0.43 0.67 0.34 5.12 2.02 -1.26 -5.13 118.70 120.03 1ukx s GLU 43 Ca 0.05 -1.11 -0.29 0.00 0.02 0.00 0.00 54.97 53.65 1ukx s GLU 43 Cb -0.12 -0.11 -0.10 0.00 0.10 0.00 0.00 34.13 33.89 1ukx s GLU 43 CO 0.02 -0.02 1.35 -1.25 0.02 0.00 0.00 175.26 175.37 1ukx s PRO 44 N -3.09 4.30 -1.28 0.39 0.04 -1.26 -4.94 135.00 129.16 1ukx s PRO 44 Ca 0.03 2.29 -0.19 0.00 0.04 0.00 0.00 61.00 63.18 1ukx s PRO 44 Cb 0.01 -3.05 0.05 0.00 0.04 0.00 0.00 34.50 31.55 1ukx s PRO 44 CO -0.04 -0.27 1.75 -1.25 0.04 0.00 0.00 177.00 177.24 1ukx s PRO 45 N -1.83 3.80 -0.08 0.56 0.04 -1.18 -4.80 135.00 131.52 1ukx s PRO 45 Ca 0.50 -1.87 -0.30 0.00 0.04 0.00 0.00 61.00 59.37 1ukx s PRO 45 Cb -0.41 -5.50 -0.03 0.00 0.04 0.00 0.00 34.50 28.60 1ukx s PRO 45 CO 0.55 -2.46 1.22 -2.00 0.04 0.00 0.00 177.00 174.34 1ukx s GLU 46 N 4.52 4.32 0.24 4.56 2.12 -1.24 -4.49 118.70 128.73 1ukx s GLU 46 Ca 0.55 1.68 0.01 0.00 0.36 0.00 0.00 54.97 57.57 1ukx s GLU 46 Cb 0.03 -3.60 -0.05 0.00 0.26 0.00 0.00 34.13 30.77 1ukx s GLU 46 CO 0.08 -0.51 0.10 0.96 -0.54 0.00 0.00 175.26 175.35 1ukx s ILE 47 N 2.50 0.42 -0.04 -3.70 -5.25 -1.18 -1.32 121.20 112.63 1ukx s ILE 47 Ca 0.56 -2.00 -0.00 0.00 -0.99 0.00 0.00 60.65 58.22 1ukx s ILE 47 Cb -0.24 -2.58 0.03 0.00 2.95 0.00 0.00 42.46 42.62 1ukx s ILE 47 CO 0.20 -0.02 0.02 0.21 -1.79 0.00 0.00 174.94 173.56 1ukx s ASN 48 N -3.27 0.77 0.16 4.36 2.47 0.15 -3.74 114.94 115.84 1ukx s ASN 48 Ca 0.37 -0.01 0.08 0.00 0.42 0.00 0.00 52.86 53.72 1ukx s ASN 48 Cb 0.08 -0.23 -0.04 0.00 -1.45 0.00 0.00 41.25 39.60 1ukx s ASN 48 CO 0.13 -0.15 -0.04 -0.76 -3.72 0.00 0.00 177.10 172.55 1ukx s LEU 49 N 1.44 3.19 -0.39 3.21 1.43 -1.07 -0.85 118.68 125.64 1ukx s LEU 49 Ca -0.04 -0.43 0.04 0.00 -1.03 0.00 0.00 54.13 52.67 1ukx s LEU 49 Cb -0.13 -1.87 0.11 0.00 0.03 0.00 0.00 46.19 44.33 1ukx s LEU 49 CO -0.03 0.11 0.11 -0.69 0.23 0.00 0.00 176.35 176.09 1ukx s VAL 50 N -1.61 2.33 -0.17 -1.59 1.01 -1.24 -0.94 120.40 118.18 1ukx s VAL 50 Ca 0.26 -2.60 -0.06 0.00 0.00 0.00 0.00 61.98 59.57 1ukx s VAL 50 Cb -0.10 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1ukx s VAL 50 CO 0.17 -0.66 0.03 -0.76 0.00 0.00 0.00 175.10 173.88 1ukx s LEU 51 N 0.58 3.64 0.27 3.92 1.43 -1.10 -4.93 118.68 122.49 1ukx s LEU 51 Ca 0.13 0.02 0.09 0.00 -1.03 0.00 0.00 54.13 53.34 1ukx s LEU 51 Cb -0.21 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.05 1ukx s LEU 51 CO -0.06 0.18 -0.13 -0.31 0.23 0.00 0.00 176.35 176.26 1ukx s TYR 52 N 0.30 2.09 0.87 0.29 1.51 -1.26 -2.05 117.35 119.09 1ukx s TYR 52 Ca 0.01 -0.51 -0.12 0.00 -1.01 0.00 0.00 57.07 55.44 1ukx s TYR 52 Cb -0.13 -1.05 0.11 0.00 -0.11 0.00 0.00 41.96 40.79 1ukx s TYR 52 CO 0.01 0.50 1.11 -1.25 -1.11 0.00 0.00 175.55 174.81 1ukx s PRO 53 N -3.62 1.47 0.88 -1.71 0.04 -1.26 -4.68 135.00 126.13 1ukx s PRO 53 Ca 0.28 0.50 -0.12 0.00 0.04 0.00 0.00 61.00 61.71 1ukx s PRO 53 Cb -0.00 -1.86 0.12 0.00 0.04 0.00 0.00 34.50 32.79 1ukx s PRO 53 CO 0.12 -2.01 1.10 -0.65 0.04 0.00 0.00 177.00 175.60 1ukx s GLN 54 N -5.17 1.43 0.00 4.56 -0.21 -1.26 -3.65 119.66 115.36 1ukx s GLN 54 Ca 0.63 0.69 0.00 0.00 0.02 0.00 0.00 55.36 56.70 1ukx s GLN 54 Cb -0.15 -1.84 0.00 0.00 1.00 0.00 0.00 33.01 32.02 1ukx s GLN 54 CO 0.54 -2.09 0.00 0.41 -2.12 0.00 0.00 175.29 172.03 1ukx n GLY 55 N -1.52 1.67 2.47 3.09 0.00 -1.26 -4.83 105.19 104.82 1ukx n GLY 55 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 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 0.87 0.00 0.99 1.43 -1.24 -4.69 118.68 116.04 1ukx s LEU 56 Ca 0.00 -2.75 0.00 0.00 -1.03 0.00 0.00 54.13 50.35 1ukx s LEU 56 Cb 0.00 -0.03 0.00 0.00 0.03 0.00 0.00 46.19 46.19 1ukx s LEU 56 CO 0.00 -0.17 1.47 0.00 0.23 0.00 0.00 176.35 177.88 1ukx n ALA 57 N 3.00 3.33 -2.64 4.21 0.00 -1.26 -4.10 120.51 123.05 1ukx n ALA 57 Ca 0.26 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.66 1ukx n ALA 57 Cb 0.48 -1.24 0.02 0.00 0.00 0.00 0.00 19.45 18.71 1ukx n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ukx n GLY 58 N 1.58 0.60 0.00 0.00 0.00 -1.26 -5.06 105.19 101.04 1ukx n GLY 58 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.43 0.00 0.00 1.61 2.13 -1.26 -5.00 120.64 116.69 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 -0.99 5.31 -0.58 -1.26 -5.05 120.64 118.07 1ukx n GLU 60 Ca 0.00 0.35 0.01 0.00 -0.42 0.00 0.00 57.16 57.09 1ukx n GLU 60 Cb 0.00 -1.18 -0.00 0.00 -0.57 0.00 0.00 31.44 29.69 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 -1.26 -1.78 -0.03 2.62 0.31 -1.26 -5.01 118.33 111.91 1ukx n VAL 61 Ca 0.00 0.91 -0.08 0.00 -0.01 0.00 0.00 64.34 65.16 1ukx n VAL 61 Cb 0.00 -1.51 -0.03 0.00 -0.91 0.00 0.00 33.84 31.40 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 -2.27 0.00 -4.82 3.52 4.02 -1.26 -5.05 117.16 111.30 1ukx n TYR 62 Ca -0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.61 1ukx n TYR 62 Cb 0.31 -0.30 -0.15 0.00 -0.02 0.00 0.00 39.34 39.19 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 -2.26 1.82 0.04 -0.72 -7.23 -1.26 -4.09 120.40 106.70 1ukx s VAL 63 Ca -0.13 -1.20 -0.27 0.00 -1.81 0.00 0.00 61.98 58.57 1ukx s VAL 63 Cb 0.04 -1.56 0.08 0.00 0.56 0.00 0.00 36.38 35.49 1ukx s VAL 63 CO 0.18 0.32 0.69 0.00 -0.31 0.00 0.00 175.10 175.98 1ukx s GLN 64 N -1.05 1.09 -0.08 4.82 1.03 -1.21 -4.00 119.66 120.26 1ukx s GLN 64 Ca 0.09 -0.12 -0.11 0.00 0.04 0.00 0.00 55.36 55.26 1ukx s GLN 64 Cb -0.09 0.51 0.03 0.00 0.03 0.00 0.00 33.01 33.48 1ukx s GLN 64 CO 0.01 -0.42 0.29 0.54 -2.54 0.00 0.00 175.29 173.17 1ukx s VAL 65 N -2.48 0.02 0.35 3.63 0.11 -0.87 -0.71 120.40 120.45 1ukx s VAL 65 Ca -0.04 -0.18 -0.25 0.00 -2.93 0.00 0.00 61.98 58.58 1ukx s VAL 65 Cb -0.01 -0.47 -0.10 0.00 -1.53 0.00 0.00 36.38 34.27 1ukx s VAL 65 CO -0.02 -0.10 0.98 -1.61 -3.33 0.00 0.00 175.10 171.02 1ukx s GLU 66 N -0.35 4.44 -0.00 1.54 2.02 -1.02 -2.71 118.70 122.62 1ukx s GLU 66 Ca -0.05 1.39 -0.15 0.00 0.02 0.00 0.00 54.97 56.18 1ukx s GLU 66 Cb -0.03 -2.70 -0.06 0.00 0.10 0.00 0.00 34.13 31.44 1ukx s GLU 66 CO 0.02 0.13 0.41 -1.17 0.02 0.00 0.00 175.26 174.67 1ukx s LEU 67 N -2.28 4.47 -0.18 1.80 2.96 -0.12 -3.62 118.68 121.71 1ukx s LEU 67 Ca 0.53 0.97 -0.04 0.00 -0.22 0.00 0.00 54.13 55.36 1ukx s LEU 67 Cb -0.20 -2.60 0.06 0.00 0.50 0.00 0.00 46.19 43.96 1ukx s LEU 67 CO 0.25 0.31 0.07 -0.60 -1.32 0.00 0.00 176.35 175.06 1ukx s ARG 68 N -1.02 0.30 -0.15 1.98 6.06 -0.89 -2.58 118.95 122.66 1ukx s ARG 68 Ca 0.24 -0.23 -0.01 0.00 -2.50 0.00 0.00 55.73 53.23 1ukx s ARG 68 Cb -0.17 -1.93 0.04 0.00 0.06 0.00 0.00 34.95 32.95 1ukx s ARG 68 CO 0.13 -0.67 -0.06 0.08 -2.50 0.00 0.00 175.30 172.29 1ukx s VAL 69 N 2.02 1.05 0.24 7.11 1.01 -1.25 -1.43 120.40 129.16 1ukx s VAL 69 Ca 0.01 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1ukx s VAL 69 Cb -0.16 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 1ukx s VAL 69 CO -0.09 0.21 1.60 0.07 0.00 0.00 0.00 175.10 176.88 1ukx h LYS 70 N 8.15 0.38 -4.03 2.72 2.10 -1.84 -3.13 116.57 120.92 1ukx h LYS 70 Ca -0.26 -0.22 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1ukx h LYS 70 Cb 1.12 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1ukx h LYS 70 CO 0.40 0.79 -0.61 0.00 -2.00 0.00 0.00 179.45 178.02 1ukx s PRO 72 N -0.34 0.57 0.00 0.00 0.04 -1.26 -4.42 135.00 129.59 1ukx s PRO 72 Ca 0.00 1.40 0.12 0.00 0.04 0.00 0.00 61.00 62.57 1ukx s PRO 72 Cb 0.00 -1.69 0.57 0.00 0.04 0.00 0.00 34.50 33.43 1ukx s PRO 72 CO 0.00 -2.89 1.35 -0.35 0.04 0.00 0.00 177.00 175.14 1ukx n PRO 73 N -4.40 0.09 -0.01 0.56 -0.04 -1.26 -1.75 135.00 128.19 1ukx n PRO 73 Ca 0.10 0.23 0.10 0.00 -0.04 0.00 0.00 63.50 63.88 1ukx n PRO 73 Cb 0.52 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.39 0.00 -1.68 0.52 -2.24 -1.26 -4.62 114.28 103.60 1ukx n THR 74 Ca 0.04 -0.30 -0.45 0.00 -2.27 0.00 0.00 64.05 61.08 1ukx n THR 74 Cb 0.12 0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 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 -1.91 2.28 1.56 4.78 4.19 -0.72 -0.60 117.16 126.74 1ukx n TYR 75 Ca -0.01 0.37 0.13 0.00 3.31 0.00 0.00 57.90 61.71 1ukx n TYR 75 Cb 0.43 -2.50 0.57 0.00 0.49 0.00 0.00 39.34 38.34 1ukx n TYR 75 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1ukx n PRO 76 N 2.34 1.53 0.24 2.98 -0.04 -1.26 -4.75 135.00 136.04 1ukx n PRO 76 Ca 0.12 -0.77 0.17 0.00 -0.04 0.00 0.00 63.50 62.98 1ukx n PRO 76 Cb 0.32 -1.46 0.79 0.00 -0.04 0.00 0.00 33.50 33.11 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 1.79 0.00 -4.96 3.54 3.58 -1.24 -3.41 116.42 115.72 1ukx h ASP 77 Ca 0.00 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.22 1ukx h ASP 77 Cb 0.38 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 41.28 1ukx h ASP 77 CO 0.00 0.00 -0.66 0.54 -2.88 0.00 0.00 179.24 176.24 1ukx s VAL 78 N -3.72 0.39 0.55 2.25 0.11 -1.25 -5.02 120.40 113.72 1ukx s VAL 78 Ca -0.01 -1.94 -0.21 0.00 -2.93 0.00 0.00 61.98 56.90 1ukx s VAL 78 Cb 0.10 -2.07 -0.05 0.00 -1.53 0.00 0.00 36.38 32.83 1ukx s VAL 78 CO 0.40 -0.48 1.25 0.68 -3.33 0.00 0.00 175.10 173.62 1ukx s VAL 79 N -3.85 2.55 1.09 2.04 -7.23 -1.26 -4.05 120.40 109.69 1ukx s VAL 79 Ca 0.24 0.38 -0.13 0.00 -1.81 0.00 0.00 61.98 60.65 1ukx s VAL 79 Cb 0.07 -3.17 0.24 0.00 0.56 0.00 0.00 36.38 34.08 1ukx s VAL 79 CO 0.03 -0.04 1.06 -2.16 -0.31 0.00 0.00 175.10 173.68 1ukx s PRO 80 N -3.07 -0.35 0.29 4.82 0.05 -1.26 -4.71 135.00 130.77 1ukx s PRO 80 Ca 0.73 0.58 0.02 0.00 0.05 0.00 0.00 61.00 62.38 1ukx s PRO 80 Cb -0.33 -1.64 -0.03 0.00 0.05 0.00 0.00 34.50 32.54 1ukx s PRO 80 CO 0.38 -3.28 0.46 -1.21 0.05 0.00 0.00 177.00 173.40 1ukx s GLU 81 N -4.77 3.47 -0.01 4.56 0.41 -1.26 -5.01 118.70 116.08 1ukx s GLU 81 Ca 0.67 -0.50 0.02 0.00 -0.41 0.00 0.00 54.97 54.75 1ukx s GLU 81 Cb -0.21 -2.77 -0.00 0.00 -1.78 0.00 0.00 34.13 29.37 1ukx s GLU 81 CO 0.61 0.28 -0.06 0.42 -0.49 0.00 0.00 175.26 176.02 1ukx s ILE 82 N -2.14 0.52 -0.06 -1.63 1.01 -1.26 -4.15 121.20 113.49 1ukx s ILE 82 Ca 0.38 -0.25 -0.03 0.00 0.00 0.00 0.00 60.65 60.74 1ukx s ILE 82 Cb -0.10 -0.46 0.03 0.00 0.01 0.00 0.00 42.46 41.95 1ukx s ILE 82 CO 0.33 0.16 0.14 -1.81 0.00 0.00 0.00 174.94 173.76 1ukx s ASP 83 N 0.03 -0.11 0.04 3.58 1.01 -0.52 -5.02 116.67 115.69 1ukx s ASP 83 Ca -0.00 0.28 -0.09 0.00 0.71 0.00 0.00 52.55 53.45 1ukx s ASP 83 Cb -0.05 0.20 -0.05 0.00 1.01 0.00 0.00 42.92 44.03 1ukx s ASP 83 CO -0.00 -0.12 0.35 -0.76 0.21 0.00 0.00 175.17 174.85 1ukx s LEU 84 N 0.90 4.37 0.07 1.23 1.02 -1.26 -2.10 118.68 122.91 1ukx s LEU 84 Ca -0.07 0.74 -0.04 0.00 0.02 0.00 0.00 54.13 54.78 1ukx s LEU 84 Cb -0.09 -2.81 -0.03 0.00 0.02 0.00 0.00 46.19 43.28 1ukx s LEU 84 CO -0.04 0.22 0.06 -0.54 0.02 0.00 0.00 176.35 176.06 1ukx s LYS 85 N -1.73 0.73 -0.79 1.70 -0.14 -1.24 -4.93 119.74 113.34 1ukx s LYS 85 Ca 0.30 -1.15 0.00 0.00 -1.36 0.00 0.00 55.97 53.75 1ukx s LYS 85 Cb -0.14 0.26 0.00 0.00 -1.68 0.00 0.00 37.83 36.27 1ukx s LYS 85 CO 0.16 -0.18 0.00 0.09 -0.76 0.00 0.00 175.35 174.66 1ukx n ASN 86 N 0.03 -5.44 -4.60 2.83 3.02 -1.26 -2.43 115.26 107.40 1ukx n ASN 86 Ca -0.13 0.18 -0.54 0.00 -0.03 0.00 0.00 54.58 54.06 1ukx n ASN 86 Cb 0.62 -3.79 -0.07 0.00 -0.61 0.00 0.00 39.78 35.93 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 1.05 0.44 -2.20 5.41 0.00 -1.26 -4.84 120.51 119.11 1ukx n ALA 87 Ca -0.07 0.21 -0.36 0.00 0.00 0.00 0.00 53.44 53.22 1ukx n ALA 87 Cb 0.53 -2.38 -0.06 0.00 0.00 0.00 0.00 19.45 17.55 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 4.63 4.15 0.00 0.00 1.02 0.11 -2.52 119.74 127.13 1ukx s LYS 88 Ca 1.02 0.72 0.00 0.00 0.02 0.00 0.00 55.97 57.73 1ukx s LYS 88 Cb -0.95 -2.90 0.00 0.00 -0.52 0.00 0.00 37.83 33.47 1ukx s LYS 88 CO 0.58 0.42 0.00 0.41 -0.92 0.00 0.00 175.35 175.84 1ukx n GLY 89 N 0.75 1.43 0.10 -3.33 0.00 -1.26 -3.35 105.19 99.52 1ukx n GLY 89 Ca -0.03 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 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 0.68 0.00 0.99 4.77 -1.26 -4.98 117.00 117.20 1ukx n LEU 90 Ca 0.00 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1ukx n LEU 90 Cb 0.00 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1ukx n LEU 90 CO 0.00 0.51 0.00 -1.20 -1.33 0.00 0.00 177.39 175.37 1ukx n SER 91 N -2.93 0.00 0.00 -1.43 7.64 -1.05 -0.59 113.62 115.26 1ukx n SER 91 Ca -0.28 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.60 1ukx n SER 91 Cb 1.10 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.30 1ukx n SER 91 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1ukx n ASN 92 N 0.10 0.00 0.00 6.43 3.02 -1.26 -4.53 115.26 119.02 1ukx n ASN 92 Ca 0.00 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 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 0.24 -3.91 120.64 121.51 1ukx n GLU 93 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.20 1ukx n GLU 93 Cb 0.34 -0.05 0.34 0.00 -0.02 0.00 0.00 31.44 32.05 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 -0.00 0.00 -0.23 1.62 7.64 -1.26 -1.48 113.62 119.91 1ukx n SER 94 Ca 0.00 -0.13 -0.00 0.00 1.01 0.00 0.00 58.87 59.75 1ukx n SER 94 Cb 0.00 -0.15 0.11 0.00 -1.01 0.00 0.00 64.21 63.16 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 0.90 -0.28 0.44 2.07 -1.82 -1.12 116.25 116.43 1ukx h VAL 95 Ca 0.00 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 1ukx h VAL 95 Cb 0.06 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 1ukx h VAL 95 CO 0.00 0.11 -0.03 0.78 0.02 0.00 0.00 177.57 178.46 1ukx h ASN 96 N 0.61 0.40 0.64 0.57 2.35 -1.38 0.99 115.58 119.77 1ukx h ASN 96 Ca 0.32 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.96 1ukx h ASN 96 Cb 0.28 -0.10 0.01 0.00 0.05 0.00 0.00 38.32 38.55 1ukx h ASN 96 CO -0.23 0.49 -0.31 0.25 -1.65 0.00 0.00 177.43 175.98 1ukx h LEU 97 N 0.41 -0.72 -1.92 1.61 6.46 -1.52 -1.95 115.31 117.68 1ukx h LEU 97 Ca 0.09 -0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.85 1ukx h LEU 97 Cb 0.32 0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.43 1ukx h LEU 97 CO 0.01 -0.36 0.09 0.25 -0.62 0.00 0.00 178.44 177.81 1ukx h LEU 98 N -1.13 0.09 0.70 2.25 5.85 -1.00 0.46 115.31 122.54 1ukx h LEU 98 Ca -0.09 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 1ukx h LEU 98 Cb 0.69 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.71 1ukx h LEU 98 CO 0.14 0.07 -0.34 0.50 -0.34 0.00 0.00 178.44 178.47 1ukx h LYS 99 N 0.11 -0.91 -0.53 1.25 3.64 -0.78 -1.33 116.57 118.03 1ukx h LYS 99 Ca 0.06 0.06 0.15 0.00 -1.27 0.00 0.00 60.65 59.64 1ukx h LYS 99 Cb 0.09 0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1ukx h LYS 99 CO -0.01 -0.58 0.38 0.77 -2.27 0.00 0.00 179.45 177.74 1ukx h SER 100 N -1.15 0.04 0.34 4.20 0.02 -0.50 0.22 113.55 116.72 1ukx h SER 100 Ca -0.10 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.55 1ukx h SER 100 Cb 0.75 -0.01 0.03 0.00 0.14 0.00 0.00 62.40 63.31 1ukx h SER 100 CO 0.16 0.02 -1.34 0.45 -1.14 0.00 0.00 176.83 174.98 1ukx h HIS 101 N 0.04 0.85 -0.15 3.45 3.86 -0.83 -1.19 115.15 121.18 1ukx h HIS 101 Ca 0.25 -0.59 -0.19 0.00 -1.16 0.00 0.00 60.37 58.69 1ukx h HIS 101 Cb 0.95 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 29.38 1ukx h HIS 101 CO -0.00 1.45 -0.67 -0.07 0.86 0.00 0.00 177.93 179.50 1ukx h LEU 102 N 0.16 0.67 -1.15 2.43 3.38 -0.61 -0.15 115.31 120.04 1ukx h LEU 102 Ca -0.20 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.36 1ukx h LEU 102 Cb 2.04 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 42.55 1ukx h LEU 102 CO 0.24 1.15 0.48 -0.33 0.09 0.00 0.00 178.44 180.07 1ukx h GLU 103 N 0.42 1.06 0.03 1.13 5.08 -0.58 -0.54 114.58 121.18 1ukx h GLU 103 Ca -0.02 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1ukx h GLU 103 Cb 1.24 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1ukx h GLU 103 CO 0.13 0.74 -0.01 1.05 -1.00 0.00 0.00 179.01 179.91 1ukx h GLU 104 N 1.08 -0.04 -0.95 2.33 4.11 -1.14 -3.34 114.58 116.63 1ukx h GLU 104 Ca 0.28 0.00 0.19 0.00 0.07 0.00 0.00 59.36 59.91 1ukx h GLU 104 Cb -0.05 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.12 1ukx h GLU 104 CO -0.05 0.67 0.61 1.25 0.07 0.00 0.00 179.01 181.55 1ukx h LEU 105 N -0.84 0.61 -0.30 3.06 5.85 -0.91 0.18 115.31 122.95 1ukx h LEU 105 Ca -0.00 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.84 1ukx h LEU 105 Cb 0.72 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 1ukx h LEU 105 CO 0.01 0.24 -0.03 0.00 -0.34 0.00 0.00 178.44 178.31 1ukx h ALA 106 N 1.62 0.24 0.00 1.25 0.00 -1.21 0.93 119.26 122.08 1ukx h ALA 106 Ca 0.52 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.47 1ukx h ALA 106 Cb 1.01 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1ukx h ALA 106 CO -0.27 -0.43 -0.25 0.87 0.00 0.00 0.00 179.25 179.17 1ukx h LYS 107 N 0.05 0.00 -0.19 0.00 6.56 -0.79 -1.76 116.57 120.44 1ukx h LYS 107 Ca 0.14 0.00 -0.16 0.00 -1.06 0.00 0.00 60.65 59.57 1ukx h LYS 107 Cb 0.20 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.87 1ukx h LYS 107 CO -0.27 0.25 -0.52 0.87 -2.06 0.00 0.00 179.45 177.72 1ukx h LYS 108 N 0.00 0.69 -0.01 3.15 1.57 -0.62 -3.09 116.57 118.26 1ukx h LYS 108 Ca -0.00 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1ukx h LYS 108 Cb 0.51 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1ukx h LYS 108 CO 0.03 1.11 0.00 1.04 -0.57 0.00 0.00 179.45 181.06 1ukx n GLN 109 N -4.14 1.18 -1.97 3.15 1.13 0.19 -4.83 117.38 112.09 1ukx n GLN 109 Ca -0.06 -0.26 -0.34 0.00 -1.94 0.00 0.00 57.00 54.40 1ukx n GLN 109 Cb 0.61 -1.47 -0.04 0.00 0.11 0.00 0.00 30.24 29.45 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 6.07 0.08 0.79 0.00 0.00 -1.26 -5.06 105.19 105.81 1ukx n GLY 111 Ca 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.27 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 0.20 -1.73 1.61 0.28 -1.20 -4.99 120.64 114.81 1ukx n GLU 112 Ca 0.00 -0.58 -0.40 0.00 -0.16 0.00 0.00 57.16 56.02 1ukx n GLU 112 Cb 0.00 0.61 0.02 0.00 1.43 0.00 0.00 31.44 33.51 1ukx n GLU 112 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 1ukx n VAL 113 N -0.13 3.04 -0.10 3.84 0.24 -1.26 -4.88 118.33 119.08 1ukx n VAL 113 Ca -0.01 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 1ukx n VAL 113 Cb 0.13 -1.67 0.00 0.00 -1.47 0.00 0.00 33.84 30.83 1ukx n VAL 113 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 1ukx n MET 114 N -0.38 0.85 0.24 7.34 0.00 -1.26 -4.88 117.12 119.03 1ukx n MET 114 Ca 0.07 -0.01 0.10 0.00 0.00 0.00 0.00 57.70 57.87 1ukx n MET 114 Cb 0.42 -0.13 0.62 0.00 0.00 0.00 0.00 33.22 34.13 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 0.10 0.74 -0.11 3.17 2.04 -1.99 0.90 117.51 122.37 1ukx h ILE 115 Ca 0.00 -0.69 -0.11 0.00 1.00 0.00 0.00 64.86 65.06 1ukx h ILE 115 Cb 0.05 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1ukx h ILE 115 CO 0.00 0.17 -0.44 -0.26 0.00 0.00 0.00 178.15 177.62 1ukx h PHE 116 N 0.00 0.30 -0.28 1.37 0.04 -1.99 -1.78 116.94 114.59 1ukx h PHE 116 Ca -0.00 -0.08 -0.13 0.00 2.80 0.00 0.00 57.97 60.56 1ukx h PHE 116 Cb 0.41 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.49 1ukx h PHE 116 CO 0.00 0.65 -0.31 1.49 -0.60 0.00 0.00 178.31 179.54 1ukx h GLU 117 N 0.21 0.71 0.11 1.51 4.22 -1.27 -2.07 114.58 118.00 1ukx h GLU 117 Ca 0.02 -0.39 0.01 0.00 0.08 0.00 0.00 59.36 59.07 1ukx h GLU 117 Cb 0.86 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1ukx h GLU 117 CO 0.07 1.01 -0.12 -0.07 -2.18 0.00 0.00 179.01 177.72 1ukx h LEU 118 N 0.46 -0.31 -1.11 1.64 3.38 -0.90 0.13 115.31 118.61 1ukx h LEU 118 Ca 0.04 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1ukx h LEU 118 Cb 0.89 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.70 1ukx h LEU 118 CO 0.08 -0.18 0.61 0.00 0.09 0.00 0.00 178.44 179.03 1ukx h ALA 119 N 0.62 1.37 -0.21 1.53 0.00 -1.39 -1.34 119.26 119.82 1ukx h ALA 119 Ca 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ukx h ALA 119 Cb 0.25 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1ukx h ALA 119 CO -0.04 0.58 0.09 0.45 0.00 0.00 0.00 179.25 180.33 1ukx h HIS 120 N 1.22 0.32 -0.80 0.00 3.86 -0.60 -1.46 115.15 117.68 1ukx h HIS 120 Ca 0.34 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.51 1ukx h HIS 120 Cb -0.10 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.23 1ukx h HIS 120 CO -0.00 0.35 0.42 1.25 0.86 0.00 0.00 177.93 180.80 1ukx h HIS 121 N 0.20 1.12 -0.12 2.45 6.17 -0.43 0.38 115.15 124.92 1ukx h HIS 121 Ca 0.07 -0.04 0.03 0.00 0.71 0.00 0.00 60.37 61.14 1ukx h HIS 121 Cb 0.15 -0.35 -0.03 0.00 2.52 0.00 0.00 27.41 29.70 1ukx h HIS 121 CO -0.02 0.80 -0.07 0.28 0.71 0.00 0.00 177.93 179.64 1ukx h VAL 122 N 1.12 0.78 -0.68 5.26 2.07 -1.20 -0.36 116.25 123.24 1ukx h VAL 122 Ca 0.28 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.76 1ukx h VAL 122 Cb 0.07 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1ukx h VAL 122 CO -0.04 0.00 0.28 1.56 0.02 0.00 0.00 177.57 179.39 1ukx h GLN 123 N -0.07 1.01 -0.45 1.57 4.20 -0.13 0.16 115.11 121.41 1ukx h GLN 123 Ca 0.07 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 1ukx h GLN 123 Cb 0.17 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1ukx h GLN 123 CO -0.16 0.83 0.27 0.77 -0.67 0.00 0.00 178.83 179.87 1ukx h SER 124 N 0.96 0.53 -0.60 1.46 0.02 -0.93 -2.05 113.55 112.95 1ukx h SER 124 Ca 0.23 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 1ukx h SER 124 Cb 0.19 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 1ukx h SER 124 CO -0.02 0.43 0.20 0.15 -1.14 0.00 0.00 176.83 176.45 1ukx h PHE 125 N 0.59 0.95 0.51 3.45 3.57 -0.56 -1.13 116.94 124.33 1ukx h PHE 125 Ca 0.16 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 1ukx h PHE 125 Cb -0.01 -0.28 0.01 0.00 2.79 0.00 0.00 35.95 38.46 1ukx h PHE 125 CO -0.03 0.78 -0.25 -0.07 -2.23 0.00 0.00 178.31 176.51 1ukx h LEU 126 N 0.84 -0.58 -1.51 0.59 3.38 -0.54 -1.13 115.31 116.36 1ukx h LEU 126 Ca 0.19 -0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.20 1ukx h LEU 126 Cb 0.26 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1ukx h LEU 126 CO -0.01 -0.27 0.45 -1.28 0.09 0.00 0.00 178.44 177.42 1ukx h SER 127 N -0.90 0.50 0.38 -0.43 0.87 -1.39 0.14 113.55 112.72 1ukx h SER 127 Ca -0.07 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 1ukx h SER 127 Cb 0.61 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 1ukx h SER 127 CO 0.12 0.30 -0.26 -0.33 -0.53 0.00 0.00 176.83 176.13 1ukx h GLU 128 N 0.56 -0.61 -0.22 2.24 4.39 -0.89 -2.63 114.58 117.42 1ukx h GLU 128 Ca 0.31 0.04 -0.00 0.00 0.34 0.00 0.00 59.36 60.05 1ukx h GLU 128 Cb 0.48 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1ukx h GLU 128 CO -0.10 -0.40 0.12 0.45 -1.16 0.00 0.00 179.01 177.91 1ukx h HIS 129 N -0.63 0.29 -3.86 4.33 3.86 -0.40 -3.42 115.15 115.32 1ukx h HIS 129 Ca -0.04 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.67 1ukx h HIS 129 Cb 0.53 -0.10 0.04 0.00 1.06 0.00 0.00 27.41 28.94 1ukx h HIS 129 CO -0.12 0.21 0.51 1.21 0.86 0.00 0.00 177.93 180.61 1ukx s ASN 130 N -6.86 6.96 0.02 2.45 2.47 0.40 -5.04 114.94 115.34 1ukx s ASN 130 Ca -0.07 2.37 -0.01 0.00 0.42 0.00 0.00 52.86 55.57 1ukx s ASN 130 Cb 0.17 -2.63 -0.02 0.00 -1.45 0.00 0.00 41.25 37.33 1ukx s ASN 130 CO 0.71 -0.37 -0.01 -0.54 -3.72 0.00 0.00 177.10 173.16 1ukx s LYS 131 N -1.78 0.28 -0.87 0.43 1.02 -1.26 -4.87 119.74 112.69 1ukx s LYS 131 Ca 0.49 -0.51 0.00 0.00 0.02 0.00 0.00 55.97 55.97 1ukx s LYS 131 Cb -0.33 0.10 0.00 0.00 -0.52 0.00 0.00 37.83 37.08 1ukx s LYS 131 CO 0.42 -0.05 0.00 -1.13 -0.92 0.00 0.00 175.35 173.67 1ukx n SER 132 N 1.79 -4.78 -4.60 2.83 3.41 -1.26 -4.93 113.62 106.08 1ukx n SER 132 Ca -0.22 0.20 -0.43 0.00 -0.26 0.00 0.00 58.87 58.16 1ukx n SER 132 Cb 0.56 -3.52 -0.03 0.00 -0.26 0.00 0.00 64.21 60.96 1ukx n SER 132 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ukx s GLY 133 N -2.04 0.59 0.41 5.00 0.00 -1.26 -4.96 107.32 105.06 1ukx s GLY 133 Ca 0.00 0.74 -0.12 0.00 0.00 0.00 0.00 44.72 45.35 1ukx s GLY 133 CO 0.00 3.72 0.79 2.56 0.00 0.00 0.00 173.10 180.17 1ukx s PRO 134 N 6.16 3.82 -0.45 2.90 0.04 -1.26 -5.00 135.00 141.21 1ukx s PRO 134 Ca 0.97 0.55 -0.27 0.00 0.04 0.00 0.00 61.00 62.29 1ukx s PRO 134 Cb -0.32 -2.36 0.03 0.00 0.04 0.00 0.00 34.50 31.88 1ukx s PRO 134 CO 0.35 -0.04 1.00 -1.12 0.04 0.00 0.00 177.00 177.23 1ukx s SER 135 N -3.05 6.57 -0.01 6.66 0.01 -1.26 -4.69 113.70 117.92 1ukx s SER 135 Ca 0.52 0.30 -0.01 0.00 1.31 0.00 0.00 55.95 58.08 1ukx s SER 135 Cb -0.10 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1ukx s SER 135 CO 0.30 -1.10 0.02 -0.24 0.41 0.00 0.00 173.24 172.64 1ukx n SER 136 N 7.35 -3.28 0.00 2.44 2.88 -1.26 -5.21 113.62 116.54 1ukx n SER 136 Ca 0.08 0.49 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 1ukx n SER 136 Cb 0.49 -2.22 0.00 0.00 -0.75 0.00 0.00 64.21 61.73 1ukx n SER 136 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42