#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4ukd s LYS 5 N 0.00 4.34 0.43 -1.46 -2.85 -1.26 -4.78 119.74 114.17 4ukd s LYS 5 Ca 0.00 0.91 -0.25 0.00 -1.00 0.00 0.00 55.97 55.63 4ukd s LYS 5 Cb 0.00 -3.19 -0.08 0.00 -2.06 0.00 0.00 37.83 32.50 4ukd s LYS 5 CO 0.00 0.58 1.31 -2.14 0.10 0.00 0.00 175.35 175.19 4ukd s PRO 6 N -1.26 3.81 0.08 1.78 0.02 -1.26 -4.69 135.00 133.48 4ukd s PRO 6 Ca 0.34 2.15 -0.23 0.00 0.02 0.00 0.00 61.00 63.27 4ukd s PRO 6 Cb -0.20 -2.64 -0.07 0.00 0.02 0.00 0.00 34.50 31.61 4ukd s PRO 6 CO 0.22 -0.62 0.69 -0.80 -0.33 0.00 0.00 177.00 176.17 4ukd s ASN 7 N -0.82 7.19 -0.10 2.53 0.02 -1.26 -0.57 114.94 121.94 4ukd s ASN 7 Ca 0.60 1.42 0.02 0.00 -1.02 0.00 0.00 52.86 53.88 4ukd s ASN 7 Cb -0.38 -2.44 0.01 0.00 0.02 0.00 0.00 41.25 38.47 4ukd s ASN 7 CO 0.48 0.15 -0.16 -0.69 0.02 0.00 0.00 177.10 176.89 4ukd s VAL 8 N -0.66 1.55 -0.18 1.60 1.01 -0.21 -1.04 120.40 122.47 4ukd s VAL 8 Ca 0.34 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 4ukd s VAL 8 Cb -0.21 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 4ukd s VAL 8 CO 0.22 0.45 -0.07 -0.69 0.00 0.00 0.00 175.10 175.01 4ukd s VAL 9 N 0.81 3.39 -0.02 2.92 1.01 -0.72 -0.93 120.40 126.86 4ukd s VAL 9 Ca -0.10 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.07 4ukd s VAL 9 Cb -0.16 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 4ukd s VAL 9 CO 0.01 0.47 1.02 -0.36 0.00 0.00 0.00 175.10 176.24 4ukd s PHE 10 N 0.89 3.58 -0.34 5.22 0.08 -1.02 -1.42 117.98 124.98 4ukd s PHE 10 Ca -0.01 1.61 -0.08 0.00 0.12 0.00 0.00 56.93 58.57 4ukd s PHE 10 Cb -0.15 -3.18 0.03 0.00 -0.57 0.00 0.00 43.02 39.15 4ukd s PHE 10 CO 0.01 -0.26 0.13 0.08 -0.10 0.00 0.00 175.22 175.08 4ukd s VAL 11 N 1.31 4.10 0.32 -0.44 1.01 0.54 -0.17 120.40 127.06 4ukd s VAL 11 Ca 0.52 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.67 4ukd s VAL 11 Cb -0.21 -3.25 -0.06 0.00 0.00 0.00 0.00 36.38 32.85 4ukd s VAL 11 CO 0.25 -0.12 -0.07 -0.76 0.00 0.00 0.00 175.10 174.40 4ukd s LEU 12 N 1.48 2.61 0.00 3.92 1.43 -0.26 -0.49 118.68 127.37 4ukd s LEU 12 Ca 0.01 -1.21 0.00 0.00 -1.03 0.00 0.00 54.13 51.90 4ukd s LEU 12 Cb -0.19 -0.82 0.00 0.00 0.03 0.00 0.00 46.19 45.21 4ukd s LEU 12 CO 0.04 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 176.94 4ukd n GLY 13 N -0.71 2.84 3.62 -3.19 0.00 -1.26 -1.34 105.19 105.15 4ukd n GLY 13 Ca -0.05 -1.20 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 4ukd n GLY 13 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 4ukd s GLY 14 N 0.00 1.56 -0.10 -0.02 0.00 -1.26 -4.86 107.32 102.63 4ukd s GLY 14 Ca 0.00 -0.52 -0.32 0.00 0.00 0.00 0.00 44.72 43.88 4ukd s GLY 14 CO 0.00 0.20 2.00 -1.05 0.00 0.00 0.00 173.10 174.25 4ukd n PRO 15 N -4.48 2.23 -1.06 2.90 -0.02 -1.26 -2.18 135.00 131.12 4ukd n PRO 15 Ca 0.07 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 4ukd n PRO 15 Cb 0.58 -2.83 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 4ukd n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 4ukd n GLY 16 N 4.89 0.40 0.00 -1.23 0.00 -1.26 -4.78 105.19 103.21 4ukd n GLY 16 Ca 0.25 -1.05 0.14 0.00 0.00 0.00 0.00 46.02 45.35 4ukd n GLY 16 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 4ukd n SER 17 N 1.95 0.00 0.00 1.61 3.41 -0.93 -4.80 113.62 114.86 4ukd n SER 17 Ca 0.00 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 4ukd n SER 17 Cb 0.04 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 4ukd n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 4ukd n GLY 18 N 1.31 1.83 0.19 5.00 0.00 -1.26 -4.90 105.19 107.35 4ukd n GLY 18 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 4ukd n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 4ukd h LYS 19 N 0.00 0.59 -0.50 1.61 1.57 -1.90 -2.22 116.57 115.71 4ukd h LYS 19 Ca 0.00 -0.15 -0.12 0.00 -1.87 0.00 0.00 60.65 58.50 4ukd h LYS 19 Cb 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 4ukd h LYS 19 CO 0.00 0.65 -0.17 0.78 -0.57 0.00 0.00 179.45 180.14 4ukd h GLY 20 N 0.43 1.09 0.89 3.86 0.00 -1.99 -1.73 103.07 105.62 4ukd h GLY 20 Ca 0.11 -0.93 0.01 0.00 0.00 0.00 0.00 47.33 46.52 4ukd h GLY 20 CO 0.01 0.85 -0.00 -0.84 0.00 0.00 0.00 176.54 176.55 4ukd h THR 21 N 0.87 0.95 -0.16 4.70 2.02 -1.96 -2.04 112.91 117.28 4ukd h THR 21 Ca 0.12 -0.01 -0.16 0.00 0.77 0.00 0.00 66.41 67.14 4ukd h THR 21 Cb 0.74 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 4ukd h THR 21 CO 0.06 0.00 -0.56 1.56 0.37 0.00 0.00 175.52 176.95 4ukd h GLN 22 N 0.02 0.50 -0.43 6.66 1.08 -1.35 -2.98 115.11 118.61 4ukd h GLN 22 Ca 0.03 -0.32 -0.03 0.00 -1.45 0.00 0.00 58.65 56.88 4ukd h GLN 22 Cb 0.04 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 4ukd h GLN 22 CO -0.06 0.93 0.15 0.00 -0.95 0.00 0.00 178.83 178.90 4ukd h ALA 24 N 1.55 1.31 -0.36 0.00 0.00 -1.22 -0.57 119.26 119.97 4ukd h ALA 24 Ca 0.15 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 4ukd h ALA 24 Cb 0.17 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 4ukd h ALA 24 CO -0.01 0.54 -0.39 -0.91 0.00 0.00 0.00 179.25 178.48 4ukd h ASN 25 N 0.94 0.94 -0.43 0.00 2.35 -1.36 -2.35 115.58 115.67 4ukd h ASN 25 Ca 0.23 -0.43 -0.08 0.00 -0.55 0.00 0.00 56.30 55.48 4ukd h ASN 25 Cb 0.09 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 4ukd h ASN 25 CO -0.03 1.21 -0.01 0.40 -1.65 0.00 0.00 177.43 177.34 4ukd h ILE 26 N 0.72 1.25 -0.73 2.81 2.04 -0.91 -1.24 117.51 121.45 4ukd h ILE 26 Ca 0.06 -1.05 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 4ukd h ILE 26 Cb 0.97 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 4ukd h ILE 26 CO 0.09 0.37 0.44 0.58 0.00 0.00 0.00 178.15 179.64 4ukd h VAL 27 N 0.78 1.21 -0.12 1.67 2.07 -0.95 0.51 116.25 121.41 4ukd h VAL 27 Ca 0.15 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 4ukd h VAL 27 Cb 0.49 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 4ukd h VAL 27 CO 0.02 0.21 0.03 -0.09 0.02 0.00 0.00 177.57 177.77 4ukd h ARG 28 N 1.00 0.20 0.00 1.57 2.43 -0.98 -1.30 114.38 117.29 4ukd h ARG 28 Ca 0.26 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.27 4ukd h ARG 28 Cb -0.04 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 4ukd h ARG 28 CO -0.05 0.36 -1.27 -0.44 -1.51 0.00 0.00 179.97 177.06 4ukd h ASP 29 N -0.00 0.00 0.00 -3.80 3.32 -1.16 -3.39 116.42 111.39 4ukd h ASP 29 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 4ukd h ASP 29 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 4ukd h ASP 29 CO 0.00 0.41 -0.54 0.49 -1.72 0.00 0.00 179.24 177.88 4ukd n PHE 30 N -2.84 0.00 -2.16 4.55 3.01 0.16 -5.04 117.46 115.14 4ukd n PHE 30 Ca -0.07 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.31 4ukd n PHE 30 Cb 0.75 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 40.22 4ukd n PHE 30 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 4ukd n GLY 31 N 1.79 0.02 3.89 1.37 0.00 -0.49 -5.00 105.19 106.76 4ukd n GLY 31 Ca 0.00 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 4ukd n GLY 31 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 4ukd s TRP 32 N -2.43 3.33 -0.25 1.61 0.52 -1.26 -4.79 118.94 115.67 4ukd s TRP 32 Ca 0.00 0.97 -0.10 0.00 0.02 0.00 0.00 56.10 56.99 4ukd s TRP 32 Cb 0.00 -2.97 -0.05 0.00 -1.15 0.00 0.00 33.47 29.30 4ukd s TRP 32 CO 0.00 -1.06 0.16 0.08 0.02 0.00 0.00 176.95 176.15 4ukd s VAL 33 N -3.26 5.29 -0.35 4.03 1.01 0.17 -4.56 120.40 122.73 4ukd s VAL 33 Ca 0.57 0.16 -0.22 0.00 0.00 0.00 0.00 61.98 62.49 4ukd s VAL 33 Cb -0.11 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.80 4ukd s VAL 33 CO 0.50 0.32 0.72 -2.28 0.00 0.00 0.00 175.10 174.36 4ukd s HIS 34 N 1.27 3.14 -0.46 5.22 2.46 -1.26 -0.54 115.29 125.11 4ukd s HIS 34 Ca 0.07 0.49 -0.04 0.00 0.47 0.00 0.00 55.06 56.05 4ukd s HIS 34 Cb -0.14 -3.27 0.12 0.00 -0.13 0.00 0.00 32.58 29.16 4ukd s HIS 34 CO 0.06 -0.67 0.27 -0.51 -2.47 0.00 0.00 174.74 171.43 4ukd s LEU 35 N 2.92 5.36 -0.41 8.88 1.43 0.10 -4.98 118.68 131.98 4ukd s LEU 35 Ca 0.28 -2.14 -0.26 0.00 -1.03 0.00 0.00 54.13 50.98 4ukd s LEU 35 Cb -0.14 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.23 4ukd s LEU 35 CO 0.16 -0.55 0.97 -0.55 0.23 0.00 0.00 176.35 176.60 4ukd s SER 36 N 1.84 6.63 0.27 2.29 0.15 -1.26 -1.15 113.70 122.47 4ukd s SER 36 Ca 0.09 0.45 -0.03 0.00 0.70 0.00 0.00 55.95 57.16 4ukd s SER 36 Cb -0.23 -2.48 0.35 0.00 -1.71 0.00 0.00 66.02 61.95 4ukd s SER 36 CO -0.03 -0.98 1.85 0.00 1.20 0.00 0.00 173.24 175.27 4ukd h ALA 37 N 8.75 1.22 -0.58 5.45 0.00 -1.74 -0.52 119.26 131.85 4ukd h ALA 37 Ca -0.23 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.58 4ukd h ALA 37 Cb 1.07 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 4ukd h ALA 37 CO 1.02 0.57 0.26 0.78 0.00 0.00 0.00 179.25 181.88 4ukd h GLY 38 N 1.05 0.81 0.95 0.00 0.00 -1.87 -0.95 103.07 103.05 4ukd h GLY 38 Ca 0.23 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 4ukd h GLY 38 CO -0.02 0.05 0.14 -0.55 0.00 0.00 0.00 176.54 176.16 4ukd h ASP 39 N 0.47 0.61 -0.95 0.19 3.32 -1.75 -1.92 116.42 116.39 4ukd h ASP 39 Ca 0.27 -0.20 0.04 0.00 0.02 0.00 0.00 57.03 57.16 4ukd h ASP 39 Cb 0.26 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.60 4ukd h ASP 39 CO -0.23 0.65 0.63 -0.07 -1.72 0.00 0.00 179.24 178.49 4ukd h LEU 40 N 0.54 1.04 -0.48 1.55 3.38 -0.71 0.15 115.31 120.77 4ukd h LEU 40 Ca 0.14 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 4ukd h LEU 40 Cb 0.25 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 4ukd h LEU 40 CO -0.01 0.71 -0.25 -0.07 0.09 0.00 0.00 178.44 178.91 4ukd h LEU 41 N 1.20 1.01 -1.44 1.67 3.38 -1.07 -1.63 115.31 118.43 4ukd h LEU 41 Ca 0.38 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 4ukd h LEU 41 Cb 0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 4ukd h LEU 41 CO -0.12 1.20 0.22 0.03 0.09 0.00 0.00 178.44 179.86 4ukd h ARG 42 N 0.84 0.59 -0.14 1.13 3.08 -0.59 -1.25 114.38 118.04 4ukd h ARG 42 Ca 0.10 -0.06 -0.17 0.00 0.07 0.00 0.00 59.98 59.92 4ukd h ARG 42 Cb 0.84 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.77 4ukd h ARG 42 CO 0.07 0.45 -0.57 1.96 -1.07 0.00 0.00 179.97 180.82 4ukd h GLN 43 N 0.60 0.64 -0.33 0.04 4.20 -0.72 -2.59 115.11 116.95 4ukd h GLN 43 Ca 0.15 -0.49 -0.03 0.00 0.06 0.00 0.00 58.65 58.34 4ukd h GLN 43 Cb 0.05 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 4ukd h GLN 43 CO -0.02 1.11 0.08 1.49 -0.67 0.00 0.00 178.83 180.82 4ukd h GLU 44 N 0.30 0.48 -0.27 1.46 4.57 -0.86 0.28 114.58 120.54 4ukd h GLU 44 Ca -0.03 -0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 57.96 4ukd h GLU 44 Cb 1.20 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.70 4ukd h GLU 44 CO 0.12 0.44 -0.33 0.37 -1.18 0.00 0.00 179.01 178.43 4ukd h GLN 45 N 0.47 0.57 0.00 1.92 4.15 -1.10 -2.45 115.11 118.67 4ukd h GLN 45 Ca 0.11 -0.26 0.00 0.00 0.77 0.00 0.00 58.65 59.27 4ukd h GLN 45 Cb 0.19 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.87 4ukd h GLN 45 CO -0.00 0.83 -0.01 1.04 -1.93 0.00 0.00 178.83 178.76 4ukd n GLN 46 N -4.07 0.10 -0.32 1.69 6.02 -0.82 -3.92 117.38 116.06 4ukd n GLN 46 Ca -0.01 0.08 -0.03 0.00 -0.01 0.00 0.00 57.00 57.03 4ukd n GLN 46 Cb 0.47 -1.61 0.09 0.00 1.02 0.00 0.00 30.24 30.20 4ukd n GLN 46 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 4ukd n SER 47 N -1.78 2.85 0.00 1.08 7.64 0.02 -4.92 113.62 118.52 4ukd n SER 47 Ca 0.06 -2.39 0.00 0.00 1.01 0.00 0.00 58.87 57.56 4ukd n SER 47 Cb 0.37 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 4ukd n SER 47 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 4ukd n GLY 48 N 0.09 2.28 1.37 0.23 0.00 -1.25 -4.94 105.19 102.96 4ukd n GLY 48 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.99 4ukd n GLY 48 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 4ukd n SER 49 N 4.59 -2.26 -0.11 1.61 2.88 -1.26 -4.41 113.62 114.66 4ukd n SER 49 Ca 0.00 0.66 0.04 0.00 -1.33 0.00 0.00 58.87 58.25 4ukd n SER 49 Cb 0.00 -2.41 0.37 0.00 -0.75 0.00 0.00 64.21 61.41 4ukd n SER 49 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 4ukd h LYS 50 N 1.67 0.69 -0.01 -1.46 2.10 -1.92 -1.31 116.57 116.33 4ukd h LYS 50 Ca 0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 4ukd h LYS 50 Cb 0.00 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 31.17 4ukd h LYS 50 CO 0.00 0.46 -0.02 -0.25 -2.00 0.00 0.00 179.45 177.64 4ukd n ASP 51 N -4.46 0.80 -0.07 7.07 8.00 -1.26 -4.22 116.55 122.40 4ukd n ASP 51 Ca 0.07 -1.17 -0.07 0.00 0.71 0.00 0.00 54.79 54.33 4ukd n ASP 51 Cb 0.12 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.21 4ukd n ASP 51 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 4ukd h GLY 52 N 4.93 0.30 1.48 0.44 0.00 -1.44 -1.13 103.07 107.64 4ukd h GLY 52 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 4ukd h GLY 52 CO 0.00 -0.03 -0.03 0.83 0.00 0.00 0.00 176.54 177.32 4ukd h GLU 53 N 0.13 0.64 -0.17 4.80 3.07 -1.81 -1.41 114.58 119.84 4ukd h GLU 53 Ca 0.13 -0.16 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 4ukd h GLU 53 Cb 0.15 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 4ukd h GLU 53 CO -0.19 0.68 0.03 1.98 -1.40 0.00 0.00 179.01 180.11 4ukd h MET 54 N 0.61 0.27 -0.63 2.33 4.05 -1.67 -2.41 114.93 117.48 4ukd h MET 54 Ca 0.12 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.47 4ukd h MET 54 Cb 0.42 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.16 4ukd h MET 54 CO 0.02 0.43 0.37 0.82 0.23 0.00 0.00 176.91 178.78 4ukd h ILE 55 N 0.07 1.18 -0.21 1.77 2.04 -0.80 -1.91 117.51 119.64 4ukd h ILE 55 Ca 0.05 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 4ukd h ILE 55 Cb 0.29 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 4ukd h ILE 55 CO 0.00 0.19 0.06 0.00 0.00 0.00 0.00 178.15 178.40 4ukd h ALA 56 N 1.55 0.27 -0.33 1.87 0.00 -1.11 -1.80 119.26 119.72 4ukd h ALA 56 Ca 0.23 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 4ukd h ALA 56 Cb -0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 4ukd h ALA 56 CO -0.04 -0.09 -0.08 1.15 0.00 0.00 0.00 179.25 180.19 4ukd h THR 57 N 0.16 1.28 -0.31 0.00 2.02 -1.09 -2.50 112.91 112.47 4ukd h THR 57 Ca 0.07 -1.13 -0.13 0.00 0.77 0.00 0.00 66.41 65.98 4ukd h THR 57 Cb 0.26 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 4ukd h THR 57 CO -0.00 0.37 -0.34 0.24 0.37 0.00 0.00 175.52 176.16 4ukd h MET 58 N 0.41 0.68 -0.50 6.66 2.07 -1.31 -2.13 114.93 120.81 4ukd h MET 58 Ca 0.08 -0.32 -0.11 0.00 -2.07 0.00 0.00 59.70 57.28 4ukd h MET 58 Cb 0.58 -0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 30.29 4ukd h MET 58 CO 0.03 0.92 -0.13 0.82 1.07 0.00 0.00 176.91 179.63 4ukd h ILE 59 N 0.57 1.27 0.00 -1.22 2.04 -1.28 0.16 117.51 119.04 4ukd h ILE 59 Ca 0.06 -1.27 -0.07 0.00 1.00 0.00 0.00 64.86 64.57 4ukd h ILE 59 Cb 0.86 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 4ukd h ILE 59 CO 0.07 0.44 -0.35 0.50 0.00 0.00 0.00 178.15 178.82 4ukd h LYS 60 N 0.83 0.00 -0.21 2.37 3.11 -1.32 -2.70 116.57 118.65 4ukd h LYS 60 Ca 0.13 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.97 4ukd h LYS 60 Cb 0.69 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.92 4ukd h LYS 60 CO 0.05 0.35 0.00 0.09 -2.81 0.00 0.00 179.45 177.13 4ukd n ASN 61 N -4.10 3.23 -1.06 4.20 3.02 -0.81 -4.62 115.26 115.12 4ukd n ASN 61 Ca -0.02 -1.99 -0.11 0.00 -0.03 0.00 0.00 54.58 52.43 4ukd n ASN 61 Cb 0.39 -0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.41 4ukd n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 4ukd n GLY 62 N 1.43 0.51 3.92 7.41 0.00 0.36 -4.68 105.19 114.14 4ukd n GLY 62 Ca 0.17 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 4ukd n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 4ukd s GLU 63 N -3.81 3.53 -0.25 1.61 2.02 -0.13 -4.62 118.70 117.05 4ukd s GLU 63 Ca 0.00 0.02 -0.16 0.00 0.02 0.00 0.00 54.97 54.86 4ukd s GLU 63 Cb 0.00 -2.48 -0.04 0.00 0.10 0.00 0.00 34.13 31.71 4ukd s GLU 63 CO 0.00 -0.07 0.40 0.42 0.02 0.00 0.00 175.26 176.04 4ukd s ILE 64 N -2.57 5.16 0.28 -1.63 1.01 -1.26 -4.50 121.20 117.70 4ukd s ILE 64 Ca 0.45 0.66 -0.30 0.00 0.00 0.00 0.00 60.65 61.46 4ukd s ILE 64 Cb -0.10 -3.73 -0.12 0.00 0.01 0.00 0.00 42.46 38.52 4ukd s ILE 64 CO 0.41 0.17 1.61 0.52 0.00 0.00 0.00 174.94 177.66 4ukd n VAL 65 N 4.90 0.87 -1.63 2.92 0.31 -1.26 -4.96 118.33 119.48 4ukd n VAL 65 Ca -0.08 -0.22 -0.43 0.00 -0.01 0.00 0.00 64.34 63.61 4ukd n VAL 65 Cb 0.51 -1.96 -0.00 0.00 -0.91 0.00 0.00 33.84 31.47 4ukd n VAL 65 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 4ukd n PRO 66 N 2.41 1.57 0.31 5.55 -0.04 -1.26 -4.86 135.00 138.68 4ukd n PRO 66 Ca 0.10 0.55 0.20 0.00 -0.04 0.00 0.00 63.50 64.31 4ukd n PRO 66 Cb 0.36 -2.04 0.98 0.00 -0.04 0.00 0.00 33.50 32.77 4ukd n PRO 66 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 4ukd h SER 67 N 2.00 0.00 0.21 3.54 4.64 -1.93 -2.00 113.55 120.01 4ukd h SER 67 Ca -0.43 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.87 4ukd h SER 67 Cb 1.32 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.41 4ukd h SER 67 CO 0.60 0.01 -0.10 -0.29 -0.87 0.00 0.00 176.83 176.18 4ukd h ILE 68 N 0.00 0.71 0.00 0.95 2.10 -1.97 -0.38 117.51 118.92 4ukd h ILE 68 Ca -0.00 -0.39 -0.04 0.00 1.08 0.00 0.00 64.86 65.51 4ukd h ILE 68 Cb 0.21 1.24 -0.01 0.00 -1.09 0.00 0.00 36.82 37.17 4ukd h ILE 68 CO 0.00 0.10 -0.27 0.58 -1.08 0.00 0.00 178.15 177.48 4ukd h VAL 69 N 0.00 1.12 -0.21 2.19 2.07 -1.73 -3.36 116.25 116.33 4ukd h VAL 69 Ca -0.00 -1.93 -0.19 0.00 0.82 0.00 0.00 66.70 65.40 4ukd h VAL 69 Cb 0.23 2.20 0.01 0.00 -1.52 0.00 0.00 31.29 32.20 4ukd h VAL 69 CO 0.01 0.38 -0.62 0.74 0.02 0.00 0.00 177.57 178.10 4ukd h THR 70 N -1.00 1.29 -0.18 2.57 2.02 -1.51 -2.72 112.91 113.38 4ukd h THR 70 Ca -0.06 -1.82 -0.11 0.00 0.77 0.00 0.00 66.41 65.19 4ukd h THR 70 Cb 0.80 1.85 -0.01 0.00 -1.74 0.00 0.00 68.15 69.05 4ukd h THR 70 CO -0.04 0.58 -0.36 0.58 0.37 0.00 0.00 175.52 176.66 4ukd h VAL 71 N 0.53 1.29 -0.36 3.16 2.07 -1.31 -1.94 116.25 119.69 4ukd h VAL 71 Ca -0.02 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.05 4ukd h VAL 71 Cb 1.24 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 4ukd h VAL 71 CO 0.13 0.44 0.17 0.50 0.02 0.00 0.00 177.57 178.84 4ukd h LYS 72 N 0.33 0.52 -0.39 1.57 3.64 -1.68 0.09 116.57 120.66 4ukd h LYS 72 Ca 0.04 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 4ukd h LYS 72 Cb 0.78 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 4ukd h LYS 72 CO 0.06 0.48 0.03 -0.07 -2.27 0.00 0.00 179.45 177.68 4ukd h LEU 73 N 0.44 0.57 -0.20 5.20 3.38 -1.14 -1.85 115.31 121.71 4ukd h LEU 73 Ca 0.12 -0.11 -0.22 0.00 0.09 0.00 0.00 57.88 57.76 4ukd h LEU 73 Cb 0.13 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.74 4ukd h LEU 73 CO -0.01 0.62 -0.85 -0.07 0.09 0.00 0.00 178.44 178.21 4ukd h LEU 74 N 0.58 0.72 -0.37 1.67 3.38 -0.97 -3.11 115.31 117.22 4ukd h LEU 74 Ca 0.12 -0.52 -0.16 0.00 0.09 0.00 0.00 57.88 57.42 4ukd h LEU 74 Cb 0.33 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 4ukd h LEU 74 CO 0.01 1.30 -0.38 0.50 0.09 0.00 0.00 178.44 179.96 4ukd h LYS 75 N 0.37 0.92 -0.29 1.13 3.64 -0.74 -1.13 116.57 120.48 4ukd h LYS 75 Ca -0.07 -0.49 0.06 0.00 -1.27 0.00 0.00 60.65 58.88 4ukd h LYS 75 Cb 1.47 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 33.26 4ukd h LYS 75 CO 0.16 1.14 -0.08 -0.91 -2.27 0.00 0.00 179.45 177.49 4ukd h ASN 76 N 0.73 -0.29 -0.46 4.20 2.35 -1.40 0.17 115.58 120.87 4ukd h ASN 76 Ca 0.06 0.09 -0.09 0.00 -0.55 0.00 0.00 56.30 55.81 4ukd h ASN 76 Cb 0.98 0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.51 4ukd h ASN 76 CO 0.09 -0.10 -0.04 0.00 -1.65 0.00 0.00 177.43 175.73 4ukd h ALA 77 N 1.27 0.95 -0.28 -0.83 0.00 -1.44 -2.24 119.26 116.70 4ukd h ALA 77 Ca 0.14 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 4ukd h ALA 77 Cb 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 4ukd h ALA 77 CO -0.30 0.62 -0.34 0.82 0.00 0.00 0.00 179.25 180.05 4ukd h ILE 78 N 0.83 1.29 0.00 0.00 2.04 -0.72 -2.91 117.51 118.03 4ukd h ILE 78 Ca 0.15 -1.47 -0.04 0.00 1.00 0.00 0.00 64.86 64.49 4ukd h ILE 78 Cb 0.55 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 4ukd h ILE 78 CO 0.03 0.47 -0.19 0.44 0.00 0.00 0.00 178.15 178.90 4ukd h ASP 79 N 0.52 0.00 0.23 1.72 3.32 -0.22 -2.64 116.42 119.34 4ukd h ASP 79 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 4ukd h ASP 79 Cb 0.84 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.39 4ukd h ASP 79 CO 0.07 0.19 -0.15 0.00 -1.72 0.00 0.00 179.24 177.63 4ukd n ALA 80 N -2.18 2.87 -2.87 3.45 0.00 -0.88 -4.33 120.51 116.57 4ukd n ALA 80 Ca 0.01 -0.35 -0.22 0.00 0.00 0.00 0.00 53.44 52.88 4ukd n ALA 80 Cb 0.47 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 4ukd n ALA 80 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 4ukd n ASN 81 N -0.64 3.08 -4.77 0.00 3.02 -1.00 -5.08 115.26 109.88 4ukd n ASN 81 Ca 0.14 -3.36 -0.41 0.00 -0.03 0.00 0.00 54.58 50.92 4ukd n ASN 81 Cb 0.31 -0.55 -0.01 0.00 -0.61 0.00 0.00 39.78 38.92 4ukd n ASN 81 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 4ukd s GLN 82 N -3.15 4.19 0.00 3.52 -0.21 -1.26 -2.89 119.66 119.85 4ukd s GLN 82 Ca 0.43 2.46 0.00 0.00 0.02 0.00 0.00 55.36 58.27 4ukd s GLN 82 Cb 0.35 -3.02 0.00 0.00 1.00 0.00 0.00 33.01 31.34 4ukd s GLN 82 CO -0.11 -0.46 0.00 0.41 -2.12 0.00 0.00 175.29 173.01 4ukd n GLY 83 N 1.10 0.75 3.63 3.09 0.00 -1.26 -5.05 105.19 107.45 4ukd n GLY 83 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 4ukd n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4ukd s LYS 84 N -0.64 2.26 0.10 1.61 -0.14 -1.14 -5.09 119.74 116.70 4ukd s LYS 84 Ca 0.00 -1.25 0.01 0.00 -1.36 0.00 0.00 55.97 53.37 4ukd s LYS 84 Cb 0.00 -2.24 -0.04 0.00 -1.68 0.00 0.00 37.83 33.88 4ukd s LYS 84 CO 0.00 0.42 0.24 -0.80 -0.76 0.00 0.00 175.35 174.45 4ukd s ASN 85 N -3.12 6.34 -0.04 2.83 0.01 -1.26 -4.39 114.94 115.31 4ukd s ASN 85 Ca 0.28 0.22 0.05 0.00 -0.71 0.00 0.00 52.86 52.70 4ukd s ASN 85 Cb -0.08 -1.93 -0.01 0.00 0.41 0.00 0.00 41.25 39.64 4ukd s ASN 85 CO 0.18 0.12 -0.18 -0.36 -1.51 0.00 0.00 177.10 175.35 4ukd s PHE 86 N -1.60 1.73 -0.48 2.20 0.08 -0.20 -0.65 117.98 119.06 4ukd s PHE 86 Ca 0.35 -0.45 -0.17 0.00 0.12 0.00 0.00 56.93 56.78 4ukd s PHE 86 Cb -0.12 -1.15 0.06 0.00 -0.57 0.00 0.00 43.02 41.24 4ukd s PHE 86 CO 0.28 -0.13 0.45 -0.51 -0.10 0.00 0.00 175.22 175.22 4ukd s LEU 87 N -0.11 5.38 -0.29 -0.37 1.43 0.30 -1.76 118.68 123.25 4ukd s LEU 87 Ca -0.01 -1.15 -0.14 0.00 -1.03 0.00 0.00 54.13 51.80 4ukd s LEU 87 Cb -0.10 -2.26 -0.03 0.00 0.03 0.00 0.00 46.19 43.82 4ukd s LEU 87 CO 0.01 -0.70 0.33 0.68 0.23 0.00 0.00 176.35 176.91 4ukd s VAL 88 N 1.94 5.20 -0.22 -1.59 -7.23 -0.51 -0.72 120.40 117.28 4ukd s VAL 88 Ca 0.08 0.37 -0.05 0.00 -1.81 0.00 0.00 61.98 60.57 4ukd s VAL 88 Cb -0.22 -3.69 -0.02 0.00 0.56 0.00 0.00 36.38 33.01 4ukd s VAL 88 CO 0.09 0.12 -0.00 -0.62 -0.31 0.00 0.00 175.10 174.38 4ukd s ASP 89 N 1.69 4.70 -0.01 4.85 2.15 -0.30 -0.34 116.67 129.40 4ukd s ASP 89 Ca 0.13 -0.28 0.00 0.00 0.43 0.00 0.00 52.55 52.83 4ukd s ASP 89 Cb -0.16 -1.81 0.00 0.00 -0.30 0.00 0.00 42.92 40.65 4ukd s ASP 89 CO 0.11 0.01 0.00 0.61 -0.17 0.00 0.00 175.17 175.73 4ukd n GLY 90 N 4.61 0.37 3.29 2.66 0.00 0.35 -2.05 105.19 114.43 4ukd n GLY 90 Ca -0.17 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 4ukd n GLY 90 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 4ukd s PHE 91 N -2.01 -0.43 0.32 1.61 2.19 -1.26 -4.62 117.98 113.79 4ukd s PHE 91 Ca 0.00 1.02 -0.11 0.00 0.33 0.00 0.00 56.93 58.17 4ukd s PHE 91 Cb 0.00 0.15 -0.07 0.00 -1.31 0.00 0.00 43.02 41.79 4ukd s PHE 91 CO 0.00 -0.23 0.68 -1.25 1.83 0.00 0.00 175.22 176.25 4ukd s PRO 92 N 0.09 3.83 -0.02 10.12 0.04 -1.26 -4.51 135.00 143.29 4ukd s PRO 92 Ca -0.01 0.41 0.15 0.00 0.04 0.00 0.00 61.00 61.59 4ukd s PRO 92 Cb -0.03 -2.50 -0.22 0.00 0.04 0.00 0.00 34.50 31.79 4ukd s PRO 92 CO 0.01 0.14 0.38 0.54 0.04 0.00 0.00 177.00 178.11 4ukd n ARG 93 N -0.70 0.77 -4.06 4.56 1.74 -1.26 -4.95 116.66 112.76 4ukd n ARG 93 Ca 0.02 -0.11 -0.10 0.00 -0.77 0.00 0.00 57.85 56.88 4ukd n ARG 93 Cb 0.53 -1.32 -0.07 0.00 -1.02 0.00 0.00 32.46 30.58 4ukd n ARG 93 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 4ukd s ASN 94 N -3.48 0.05 0.25 0.55 2.20 -1.26 -2.52 114.94 110.72 4ukd s ASN 94 Ca -0.03 -1.10 -0.06 0.00 -0.94 0.00 0.00 52.86 50.72 4ukd s ASN 94 Cb 0.10 0.53 0.26 0.00 -2.00 0.00 0.00 41.25 40.14 4ukd s ASN 94 CO 0.62 -1.07 1.92 -0.08 -2.94 0.00 0.00 177.10 175.55 4ukd h GLU 95 N 2.35 1.26 -0.65 3.55 4.81 -1.95 -1.68 114.58 122.27 4ukd h GLU 95 Ca -0.29 -0.08 0.10 0.00 -0.13 0.00 0.00 59.36 58.96 4ukd h GLU 95 Cb 1.25 -0.28 -0.08 0.00 0.63 0.00 0.00 28.75 30.27 4ukd h GLU 95 CO 0.41 0.83 0.26 1.49 -0.73 0.00 0.00 179.01 181.27 4ukd h GLU 96 N 1.30 0.43 -0.13 1.92 4.22 -1.99 0.17 114.58 120.50 4ukd h GLU 96 Ca 0.36 -0.03 -0.21 0.00 0.08 0.00 0.00 59.36 59.57 4ukd h GLU 96 Cb -0.12 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.04 4ukd h GLU 96 CO -0.09 0.29 -0.76 -0.91 -2.18 0.00 0.00 179.01 175.36 4ukd h ASN 97 N 0.45 0.81 -0.44 1.04 2.35 -1.88 -2.46 115.58 115.44 4ukd h ASN 97 Ca 0.33 -0.53 -0.02 0.00 -0.55 0.00 0.00 56.30 55.53 4ukd h ASN 97 Cb 0.41 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 4ukd h ASN 97 CO -0.31 1.31 0.19 -1.13 -1.65 0.00 0.00 177.43 175.84 4ukd h ASN 98 N 0.47 0.60 -0.65 5.81 -1.24 -0.98 -1.65 115.58 117.94 4ukd h ASN 98 Ca -0.05 -0.16 -0.06 0.00 0.71 0.00 0.00 56.30 56.74 4ukd h ASN 98 Cb 1.37 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 40.24 4ukd h ASN 98 CO 0.15 0.59 0.16 0.78 -1.29 0.00 0.00 177.43 177.82 4ukd h ASN 99 N 0.57 0.99 -0.24 1.15 -0.26 -0.69 -1.98 115.58 115.12 4ukd h ASN 99 Ca 0.15 -0.23 -0.06 0.00 -0.56 0.00 0.00 56.30 55.60 4ukd h ASN 99 Cb 0.17 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.15 4ukd h ASN 99 CO -0.01 0.96 -0.02 -1.28 -1.06 0.00 0.00 177.43 176.02 4ukd h SER 100 N 0.96 0.53 -0.31 5.81 0.87 -1.35 -0.49 113.55 119.57 4ukd h SER 100 Ca 0.20 -0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.62 4ukd h SER 100 Cb 0.36 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 4ukd h SER 100 CO 0.00 0.61 0.06 -0.25 -0.53 0.00 0.00 176.83 176.72 4ukd h TRP 101 N 0.53 0.53 -0.13 2.24 2.91 -0.72 -2.43 115.95 118.89 4ukd h TRP 101 Ca 0.11 -0.07 -0.11 0.00 1.13 0.00 0.00 58.89 59.95 4ukd h TRP 101 Cb 0.37 -0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 28.87 4ukd h TRP 101 CO 0.01 0.58 -0.39 0.93 -1.03 0.00 0.00 178.44 178.54 4ukd h GLU 102 N 0.33 0.28 -0.41 2.65 5.08 -0.80 0.36 114.58 122.07 4ukd h GLU 102 Ca 0.09 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 4ukd h GLU 102 Cb 0.33 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 4ukd h GLU 102 CO 0.00 0.63 0.19 1.49 -1.00 0.00 0.00 179.01 180.32 4ukd h GLU 103 N 0.24 0.60 0.00 2.33 4.57 -1.03 -2.98 114.58 118.31 4ukd h GLU 103 Ca 0.02 -0.10 -0.25 0.00 -1.18 0.00 0.00 59.36 57.86 4ukd h GLU 103 Cb 0.80 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.24 4ukd h GLU 103 CO 0.06 0.54 -1.69 0.09 -1.18 0.00 0.00 179.01 176.83 4ukd n ASN 104 N -4.67 0.75 0.00 1.04 3.02 -0.92 -4.67 115.26 109.82 4ukd n ASN 104 Ca 0.00 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 4ukd n ASN 104 Cb 0.12 0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 4ukd n ASN 104 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 4ukd n MET 105 N -2.94 0.09 -0.34 3.52 2.81 0.09 -4.79 117.12 115.56 4ukd n MET 105 Ca -0.16 0.00 0.25 0.00 -1.81 0.00 0.00 57.70 55.98 4ukd n MET 105 Cb 0.98 -0.99 0.54 0.00 -0.71 0.00 0.00 33.22 33.03 4ukd n MET 105 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 4ukd h LYS 106 N 0.00 0.33 -0.72 0.03 3.64 -1.62 0.28 116.57 118.51 4ukd h LYS 106 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 4ukd h LYS 106 Cb 0.00 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 4ukd h LYS 106 CO 0.00 0.22 0.00 -0.40 -2.27 0.00 0.00 179.45 177.00 4ukd n ASP 107 N -4.63 4.06 -0.06 4.20 5.75 -1.26 -4.21 116.55 120.41 4ukd n ASP 107 Ca 0.27 -2.09 -0.06 0.00 -0.01 0.00 0.00 54.79 52.91 4ukd n ASP 107 Cb 0.97 -0.51 -0.09 0.00 -1.03 0.00 0.00 41.12 40.46 4ukd n ASP 107 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 4ukd n PHE 108 N 1.54 0.00 -4.14 2.11 3.72 0.92 -5.06 117.46 116.55 4ukd n PHE 108 Ca 0.25 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.52 4ukd n PHE 108 Cb 0.67 -0.55 -0.11 0.00 -0.94 0.00 0.00 39.48 38.55 4ukd n PHE 108 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 4ukd s VAL 109 N -2.27 0.74 -0.43 -4.37 -7.23 -0.88 -4.15 120.40 101.81 4ukd s VAL 109 Ca -0.06 -1.59 -0.15 0.00 -1.81 0.00 0.00 61.98 58.36 4ukd s VAL 109 Cb 0.03 -1.27 0.03 0.00 0.56 0.00 0.00 36.38 35.74 4ukd s VAL 109 CO 0.45 -0.63 0.34 -0.62 -0.31 0.00 0.00 175.10 174.34 4ukd s ASP 110 N -2.42 6.13 -0.39 4.85 -1.08 0.27 -4.71 116.67 119.32 4ukd s ASP 110 Ca 0.03 -0.96 -0.20 0.00 -0.52 0.00 0.00 52.55 50.91 4ukd s ASP 110 Cb -0.02 -2.18 0.01 0.00 -1.46 0.00 0.00 42.92 39.28 4ukd s ASP 110 CO -0.02 -0.52 0.59 0.28 0.52 0.00 0.00 175.17 176.03 4ukd s THR 111 N 1.75 4.92 -0.15 1.71 -1.32 -1.26 -1.05 115.64 120.24 4ukd s THR 111 Ca 0.06 0.27 -0.18 0.00 -1.21 0.00 0.00 61.69 60.62 4ukd s THR 111 Cb -0.20 -4.09 -0.16 0.00 -1.51 0.00 0.00 72.50 66.55 4ukd s THR 111 CO 0.10 -0.40 0.35 0.11 -2.21 0.00 0.00 174.62 172.57 4ukd h LYS 112 N 8.64 0.00 -2.88 7.08 1.79 -1.43 -3.48 116.57 126.30 4ukd h LYS 112 Ca -0.26 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.26 4ukd h LYS 112 Cb 1.11 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.73 4ukd h LYS 112 CO 0.84 0.64 0.32 -0.59 -1.08 0.00 0.00 179.45 179.58 4ukd s PHE 113 N -2.10 -0.02 -0.22 -1.35 -0.71 -1.26 -4.97 117.98 107.36 4ukd s PHE 113 Ca -0.16 -0.51 -0.06 0.00 -1.04 0.00 0.00 56.93 55.16 4ukd s PHE 113 Cb 0.00 0.76 -0.02 0.00 -1.21 0.00 0.00 43.02 42.55 4ukd s PHE 113 CO 0.45 -1.31 0.02 0.08 -1.34 0.00 0.00 175.22 173.12 4ukd s VAL 114 N -2.97 4.03 -0.35 -2.49 1.01 0.12 -2.44 120.40 117.32 4ukd s VAL 114 Ca 0.14 -0.28 -0.17 0.00 0.00 0.00 0.00 61.98 61.67 4ukd s VAL 114 Cb -0.05 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 4ukd s VAL 114 CO 0.08 0.40 0.46 -0.22 0.00 0.00 0.00 175.10 175.83 4ukd s LEU 115 N 1.20 4.38 -0.17 3.92 2.96 0.76 -0.69 118.68 131.04 4ukd s LEU 115 Ca 0.03 -0.09 -0.00 0.00 -0.22 0.00 0.00 54.13 53.85 4ukd s LEU 115 Cb -0.14 -2.50 -0.00 0.00 0.50 0.00 0.00 46.19 44.04 4ukd s LEU 115 CO 0.02 -0.43 -0.14 0.12 -1.32 0.00 0.00 176.35 174.60 4ukd s PHE 116 N 2.26 2.82 -0.40 5.38 5.36 0.39 -1.10 117.98 132.69 4ukd s PHE 116 Ca 0.16 -1.06 -0.16 0.00 -0.96 0.00 0.00 56.93 54.91 4ukd s PHE 116 Cb -0.16 -1.93 0.01 0.00 -0.34 0.00 0.00 43.02 40.61 4ukd s PHE 116 CO 0.13 -0.50 0.39 -0.06 -1.46 0.00 0.00 175.22 173.71 4ukd s PHE 117 N 0.95 3.19 -0.21 10.12 0.08 -0.45 -1.17 117.98 130.48 4ukd s PHE 117 Ca -0.03 -0.34 -0.18 0.00 0.12 0.00 0.00 56.93 56.51 4ukd s PHE 117 Cb -0.15 -2.77 -0.03 0.00 -0.57 0.00 0.00 43.02 39.50 4ukd s PHE 117 CO -0.02 -0.61 0.48 0.34 -0.10 0.00 0.00 175.22 175.31 4ukd s ASP 118 N 1.76 6.49 -0.10 1.36 -1.08 -0.82 -4.13 116.67 120.16 4ukd s ASP 118 Ca 0.10 0.59 -0.12 0.00 -0.52 0.00 0.00 52.55 52.60 4ukd s ASP 118 Cb -0.17 -2.27 0.03 0.00 -1.46 0.00 0.00 42.92 39.05 4ukd s ASP 118 CO 0.12 -0.17 0.33 0.00 0.52 0.00 0.00 175.17 175.97 4ukd s PRO 120 N -0.21 3.95 0.28 0.00 0.02 -1.26 -4.91 135.00 132.86 4ukd s PRO 120 Ca -0.04 2.19 0.01 0.00 0.02 0.00 0.00 61.00 63.18 4ukd s PRO 120 Cb -0.03 -2.75 0.52 0.00 0.02 0.00 0.00 34.50 32.26 4ukd s PRO 120 CO 0.01 -0.52 1.85 0.93 -0.33 0.00 0.00 177.00 178.94 4ukd h GLU 121 N 2.65 1.01 -0.26 5.54 5.08 -1.99 -1.34 114.58 125.28 4ukd h GLU 121 Ca -0.50 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 57.75 4ukd h GLU 121 Cb 1.25 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 4ukd h GLU 121 CO 0.62 0.67 -0.07 0.93 -1.00 0.00 0.00 179.01 180.17 4ukd h GLU 122 N 1.04 0.41 0.06 2.33 3.07 -2.00 -0.19 114.58 119.31 4ukd h GLU 122 Ca 0.48 -0.09 -0.26 0.00 -0.50 0.00 0.00 59.36 58.98 4ukd h GLU 122 Cb 0.41 -0.06 0.01 0.00 -0.84 0.00 0.00 28.75 28.28 4ukd h GLU 122 CO -0.24 0.49 -1.11 0.28 -1.40 0.00 0.00 179.01 177.03 4ukd h VAL 123 N 0.39 1.37 -0.67 3.13 2.07 -1.67 -3.00 116.25 117.88 4ukd h VAL 123 Ca 0.08 -2.55 -0.08 0.00 0.82 0.00 0.00 66.70 64.98 4ukd h VAL 123 Cb 0.37 2.60 -0.03 0.00 -1.52 0.00 0.00 31.29 32.72 4ukd h VAL 123 CO 0.02 0.76 0.11 0.24 0.02 0.00 0.00 177.57 178.73 4ukd h MET 124 N 0.23 1.10 -0.65 1.57 2.86 -0.92 -2.72 114.93 116.40 4ukd h MET 124 Ca -0.13 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.22 4ukd h MET 124 Cb 1.78 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 33.27 4ukd h MET 124 CO 0.20 1.01 0.42 1.15 1.06 0.00 0.00 176.91 180.74 4ukd h THR 125 N 1.02 1.18 -0.33 2.22 2.02 -1.02 -1.31 112.91 116.70 4ukd h THR 125 Ca 0.20 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 4ukd h THR 125 Cb 0.43 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 4ukd h THR 125 CO 0.01 0.17 0.10 1.56 0.37 0.00 0.00 175.52 177.73 4ukd h GLN 126 N 0.88 0.51 -0.99 6.66 1.08 -1.48 -1.46 115.11 120.32 4ukd h GLN 126 Ca 0.24 -0.11 0.03 0.00 -1.45 0.00 0.00 58.65 57.36 4ukd h GLN 126 Cb -0.08 -0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.23 4ukd h GLN 126 CO -0.05 0.56 0.65 0.00 -0.95 0.00 0.00 178.83 179.03 4ukd h ARG 127 N 0.37 1.23 0.02 1.46 3.08 -1.14 -0.57 114.38 118.84 4ukd h ARG 127 Ca 0.10 -0.07 -0.27 0.00 0.07 0.00 0.00 59.98 59.81 4ukd h ARG 127 Cb 0.26 -0.28 0.02 0.00 0.08 0.00 0.00 29.97 30.06 4ukd h ARG 127 CO -0.00 0.81 -1.07 -0.07 -1.07 0.00 0.00 179.97 178.57 4ukd h LEU 128 N 1.26 0.84 -1.19 3.04 3.38 -1.03 -0.73 115.31 120.89 4ukd h LEU 128 Ca 0.39 -0.69 -0.06 0.00 0.09 0.00 0.00 57.88 57.61 4ukd h LEU 128 Cb -0.02 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 4ukd h LEU 128 CO -0.12 1.50 -0.05 -0.07 0.09 0.00 0.00 178.44 179.79 4ukd h LEU 129 N 0.35 0.47 -0.22 1.67 3.38 -1.01 0.67 115.31 120.62 4ukd h LEU 129 Ca -0.13 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 4ukd h LEU 129 Cb 1.72 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 4ukd h LEU 129 CO 0.20 0.58 -0.02 0.50 0.09 0.00 0.00 178.44 179.79 4ukd h LYS 130 N 0.47 0.41 -0.43 1.13 3.11 -0.96 -3.11 116.57 117.20 4ukd h LYS 130 Ca 0.10 -0.14 -0.07 0.00 -2.81 0.00 0.00 60.65 57.73 4ukd h LYS 130 Cb 0.39 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.57 4ukd h LYS 130 CO 0.02 0.62 -0.01 -0.09 -2.81 0.00 0.00 179.45 177.18 4ukd h ARG 131 N 0.16 0.70 0.00 1.90 2.43 -0.91 -2.95 114.38 115.71 4ukd h ARG 131 Ca 0.06 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 4ukd h ARG 131 Cb 0.45 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 4ukd h ARG 131 CO 0.02 0.72 0.00 0.78 -1.51 0.00 0.00 179.97 179.98 4ukd h GLY 132 N 0.94 0.00 2.00 2.80 0.00 -0.79 -0.05 103.07 107.98 4ukd h GLY 132 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 4ukd h GLY 132 CO 0.02 0.00 -0.14 0.83 0.00 0.00 0.00 176.54 177.25 4ukd h GLU 133 N 0.00 0.00 0.00 4.80 5.08 -1.56 -3.37 114.58 119.53 4ukd h GLU 133 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 4ukd h GLU 133 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 4ukd h GLU 133 CO 0.00 0.14 0.00 -1.13 -1.00 0.00 0.00 179.01 177.02 4ukd n SER 134 N -3.47 0.00 0.12 1.42 3.41 -0.57 -4.88 113.62 109.64 4ukd n SER 134 Ca -0.01 -0.50 -0.00 0.00 -0.26 0.00 0.00 58.87 58.10 4ukd n SER 134 Cb 0.30 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.54 4ukd n SER 134 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 4ukd h SER 135 N 0.00 0.19 0.00 4.04 4.64 -1.21 -3.46 113.55 117.75 4ukd h SER 135 Ca 0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 4ukd h SER 135 Cb 0.25 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 4ukd h SER 135 CO 0.00 0.52 0.00 0.61 -0.87 0.00 0.00 176.83 177.09 4ukd n GLY 136 N -0.41 0.33 3.76 -0.77 0.00 -1.26 -4.99 105.19 101.85 4ukd n GLY 136 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 4ukd n GLY 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 4ukd s ARG 137 N -0.77 4.55 0.04 1.61 1.81 -1.26 -4.95 118.95 119.98 4ukd s ARG 137 Ca 0.00 1.72 0.22 0.00 -1.72 0.00 0.00 55.73 55.95 4ukd s ARG 137 Cb 0.00 -3.05 0.92 0.00 -0.45 0.00 0.00 34.95 32.37 4ukd s ARG 137 CO 0.00 0.15 1.70 -1.13 -0.68 0.00 0.00 175.30 175.35 4ukd n SER 138 N 0.93 0.11 -0.53 0.23 3.41 -1.26 -3.47 113.62 113.04 4ukd n SER 138 Ca 0.00 0.52 0.05 0.00 -0.26 0.00 0.00 58.87 59.18 4ukd n SER 138 Cb 0.46 -0.55 0.13 0.00 -0.26 0.00 0.00 64.21 64.00 4ukd n SER 138 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 4ukd n ASP 139 N -1.61 2.83 -3.40 4.04 5.75 -1.26 -4.77 116.55 118.13 4ukd n ASP 139 Ca 0.05 -2.13 -0.40 0.00 -0.01 0.00 0.00 54.79 52.30 4ukd n ASP 139 Cb 0.27 -0.22 0.01 0.00 -1.03 0.00 0.00 41.12 40.15 4ukd n ASP 139 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 4ukd n ASP 140 N 0.16 7.47 -4.17 -1.12 8.00 -1.23 -3.95 116.55 121.71 4ukd n ASP 140 Ca 0.10 -3.59 -0.11 0.00 0.71 0.00 0.00 54.79 51.91 4ukd n ASP 140 Cb 0.45 -1.19 -0.10 0.00 -0.02 0.00 0.00 41.12 40.25 4ukd n ASP 140 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 4ukd s ASN 141 N -0.86 0.60 0.26 -2.24 2.20 -1.26 -4.57 114.94 109.07 4ukd s ASN 141 Ca 0.46 -1.19 0.26 0.00 -0.94 0.00 0.00 52.86 51.44 4ukd s ASN 141 Cb 0.25 0.24 0.81 0.00 -2.00 0.00 0.00 41.25 40.55 4ukd s ASN 141 CO -0.18 -0.67 1.75 -0.29 -2.94 0.00 0.00 177.10 174.77 4ukd h ILE 142 N 2.83 0.00 0.38 0.54 -0.00 -2.00 0.51 117.51 119.77 4ukd h ILE 142 Ca -0.36 -0.49 -0.02 0.00 -0.00 0.00 0.00 64.86 64.00 4ukd h ILE 142 Cb 1.20 1.44 0.00 0.00 -0.00 0.00 0.00 36.82 39.46 4ukd h ILE 142 CO 0.61 0.00 -0.18 -0.33 -0.00 0.00 0.00 178.15 178.25 4ukd h GLU 143 N 0.00 -0.49 -0.44 2.19 4.39 -1.97 -2.30 114.58 115.96 4ukd h GLU 143 Ca 0.00 0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.59 4ukd h GLU 143 Cb 0.69 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 4ukd h GLU 143 CO 0.00 -0.30 -0.30 0.77 -1.16 0.00 0.00 179.01 178.02 4ukd h SER 144 N -0.54 1.02 -0.44 1.42 0.02 -1.58 -3.15 113.55 110.30 4ukd h SER 144 Ca -0.05 -0.43 0.07 0.00 -0.84 0.00 0.00 61.79 60.54 4ukd h SER 144 Cb 0.41 -0.28 -0.06 0.00 0.14 0.00 0.00 62.40 62.61 4ukd h SER 144 CO 0.08 1.23 0.08 0.40 -1.14 0.00 0.00 176.83 177.49 4ukd h ILE 145 N 0.82 0.76 -0.16 3.27 2.04 -0.74 0.11 117.51 123.61 4ukd h ILE 145 Ca 0.09 -0.07 -0.07 0.00 1.00 0.00 0.00 64.86 65.80 4ukd h ILE 145 Cb 0.89 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 4ukd h ILE 145 CO 0.08 0.04 -0.21 0.11 0.00 0.00 0.00 178.15 178.17 4ukd h LYS 146 N 0.22 0.27 -0.10 2.37 1.79 -1.48 -0.85 116.57 118.80 4ukd h LYS 146 Ca 0.21 -0.08 -0.18 0.00 -2.18 0.00 0.00 60.65 58.43 4ukd h LYS 146 Cb 0.27 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 4ukd h LYS 146 CO -0.28 0.48 -0.68 0.87 -1.08 0.00 0.00 179.45 178.75 4ukd h LYS 147 N 0.25 0.42 -0.56 3.15 1.57 -1.33 -2.47 116.57 117.60 4ukd h LYS 147 Ca 0.04 -0.32 -0.09 0.00 -1.87 0.00 0.00 60.65 58.41 4ukd h LYS 147 Cb 0.52 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 4ukd h LYS 147 CO 0.04 0.95 -0.02 0.00 -0.57 0.00 0.00 179.45 179.85 4ukd h ARG 148 N 0.30 0.98 -0.42 3.15 3.08 0.04 -2.12 114.38 119.39 4ukd h ARG 148 Ca -0.02 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.72 4ukd h ARG 148 Cb 1.24 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.18 4ukd h ARG 148 CO 0.12 0.97 0.24 0.74 -1.07 0.00 0.00 179.97 180.97 4ukd h PHE 149 N 0.89 0.57 -0.65 3.04 0.04 -1.05 -1.36 116.94 118.43 4ukd h PHE 149 Ca 0.16 -0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.85 4ukd h PHE 149 Cb 0.55 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.49 4ukd h PHE 149 CO 0.04 0.43 0.12 -0.97 -0.60 0.00 0.00 178.31 177.32 4ukd h ASN 150 N 0.55 1.03 -0.69 2.17 -1.24 -1.18 0.09 115.58 116.30 4ukd h ASN 150 Ca 0.15 -0.25 -0.05 0.00 0.71 0.00 0.00 56.30 56.85 4ukd h ASN 150 Cb 0.04 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 38.78 4ukd h ASN 150 CO -0.03 1.02 0.24 0.74 -1.29 0.00 0.00 177.43 178.11 4ukd h THR 151 N 0.99 1.25 -0.26 -3.57 2.02 -1.25 -0.32 112.91 111.77 4ukd h THR 151 Ca 0.20 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 4ukd h THR 151 Cb 0.42 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 4ukd h THR 151 CO 0.01 0.33 0.13 0.15 0.37 0.00 0.00 175.52 176.51 4ukd h PHE 152 N 1.04 0.38 -0.54 3.16 3.57 -0.66 -1.12 116.94 122.76 4ukd h PHE 152 Ca 0.23 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.62 4ukd h PHE 152 Cb 0.27 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 4ukd h PHE 152 CO 0.02 0.35 -0.02 -0.91 -2.23 0.00 0.00 178.31 175.52 4ukd h ASN 153 N 0.30 0.92 0.13 0.41 2.35 -0.47 -1.79 115.58 117.43 4ukd h ASN 153 Ca 0.09 -0.26 -0.29 0.00 -0.55 0.00 0.00 56.30 55.29 4ukd h ASN 153 Cb 0.11 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 4ukd h ASN 153 CO -0.01 1.00 -1.49 0.58 -1.65 0.00 0.00 177.43 175.86 4ukd h VAL 154 N 0.87 1.01 0.00 2.81 2.07 -1.04 -3.39 116.25 118.58 4ukd h VAL 154 Ca 0.16 -2.42 -0.35 0.00 0.82 0.00 0.00 66.70 64.90 4ukd h VAL 154 Cb 0.54 2.73 -0.06 0.00 -1.52 0.00 0.00 31.29 32.98 4ukd h VAL 154 CO 0.03 0.74 -2.30 0.00 0.02 0.00 0.00 177.57 176.06 4ukd n GLN 155 N -3.85 0.56 0.06 1.57 6.02 -0.43 -4.67 117.38 116.64 4ukd n GLN 155 Ca -0.25 0.15 -0.11 0.00 -0.01 0.00 0.00 57.00 56.78 4ukd n GLN 155 Cb 0.94 -1.44 -0.13 0.00 1.02 0.00 0.00 30.24 30.63 4ukd n GLN 155 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 4ukd h THR 156 N -0.14 1.51 0.00 5.09 2.02 -1.04 -3.27 112.91 117.07 4ukd h THR 156 Ca -0.52 -3.19 -0.01 0.00 0.77 0.00 0.00 66.41 63.46 4ukd h THR 156 Cb 1.74 2.82 -0.00 0.00 -1.74 0.00 0.00 68.15 70.98 4ukd h THR 156 CO -0.13 0.89 -0.06 0.11 0.37 0.00 0.00 175.52 176.70 4ukd h LYS 157 N 0.03 0.00 -0.14 6.66 1.57 -1.62 -0.76 116.57 122.31 4ukd h LYS 157 Ca -0.10 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 4ukd h LYS 157 Cb 1.88 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.17 4ukd h LYS 157 CO 0.15 0.06 -0.36 -0.07 -0.57 0.00 0.00 179.45 178.67 4ukd h LEU 158 N 0.00 0.31 -0.38 2.94 4.07 -1.83 -1.28 115.31 119.14 4ukd h LEU 158 Ca -0.00 -0.12 -0.14 0.00 0.08 0.00 0.00 57.88 57.70 4ukd h LEU 158 Cb 0.12 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 4ukd h LEU 158 CO 0.01 0.65 -0.30 0.58 -1.08 0.00 0.00 178.44 178.29 4ukd h VAL 159 N 0.26 1.28 -0.55 1.22 2.07 -1.26 -1.02 116.25 118.25 4ukd h VAL 159 Ca 0.03 -1.47 -0.10 0.00 0.82 0.00 0.00 66.70 65.98 4ukd h VAL 159 Cb 0.75 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 4ukd h VAL 159 CO 0.06 0.49 -0.04 0.40 0.02 0.00 0.00 177.57 178.49 4ukd h ILE 160 N 0.68 1.26 -0.22 4.57 2.04 -1.15 -1.71 117.51 122.99 4ukd h ILE 160 Ca 0.07 -1.16 -0.10 0.00 1.00 0.00 0.00 64.86 64.66 4ukd h ILE 160 Cb 0.88 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 4ukd h ILE 160 CO 0.08 0.41 -0.31 -0.78 0.00 0.00 0.00 178.15 177.55 4ukd h ASP 161 N 0.88 0.44 -0.37 1.72 3.58 -1.17 0.04 116.42 121.55 4ukd h ASP 161 Ca 0.15 -0.16 -0.08 0.00 0.42 0.00 0.00 57.03 57.36 4ukd h ASP 161 Cb 0.58 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 4ukd h ASP 161 CO 0.03 0.74 -0.10 -0.74 -2.88 0.00 0.00 179.24 176.30 4ukd h HIS 162 N 0.38 0.81 0.00 0.28 2.76 -0.70 -2.98 115.15 115.70 4ukd h HIS 162 Ca 0.05 -0.18 -0.07 0.00 -2.20 0.00 0.00 60.37 57.97 4ukd h HIS 162 Cb 0.73 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.49 4ukd h HIS 162 CO 0.02 0.87 -0.32 1.88 -1.30 0.00 0.00 177.93 179.08 4ukd h TYR 163 N 0.52 0.00 -0.07 5.26 0.05 -0.65 -3.22 116.97 118.87 4ukd h TYR 163 Ca 0.09 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.72 4ukd h TYR 163 Cb 0.61 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.34 4ukd h TYR 163 CO 0.05 0.32 -0.62 -0.97 -1.05 0.00 0.00 178.16 175.89 4ukd h ASN 164 N 0.00 0.27 -0.74 3.88 -0.00 -0.88 -2.11 115.58 116.00 4ukd h ASN 164 Ca -0.00 -0.16 0.09 0.00 -0.00 0.00 0.00 56.30 56.23 4ukd h ASN 164 Cb 0.94 -0.08 -0.07 0.00 -0.00 0.00 0.00 38.32 39.11 4ukd h ASN 164 CO 0.04 0.82 0.38 0.11 -0.00 0.00 0.00 177.43 178.79 4ukd h LYS 165 N 0.17 0.63 0.00 6.67 1.57 -1.53 -0.88 116.57 123.20 4ukd h LYS 165 Ca -0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 4ukd h LYS 165 Cb 1.13 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.30 4ukd h LYS 165 CO 0.10 0.42 0.00 1.19 -0.57 0.00 0.00 179.45 180.59 4ukd n PHE 166 N -4.83 0.00 -1.43 -1.35 3.72 -1.10 -4.87 117.46 107.60 4ukd n PHE 166 Ca 0.12 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.48 4ukd n PHE 166 Cb 0.27 -0.08 -0.01 0.00 -0.94 0.00 0.00 39.48 38.72 4ukd n PHE 166 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 4ukd n ASP 167 N -1.08 -2.91 -1.42 4.37 8.00 -0.34 -4.92 116.55 118.25 4ukd n ASP 167 Ca 0.19 0.06 0.09 0.00 0.71 0.00 0.00 54.79 55.84 4ukd n ASP 167 Cb 0.13 -1.26 0.33 0.00 -0.02 0.00 0.00 41.12 40.30 4ukd n ASP 167 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 4ukd n LYS 168 N -2.38 3.64 -4.21 -1.24 5.02 -0.81 -4.91 118.16 113.26 4ukd n LYS 168 Ca -0.04 -2.82 -0.34 0.00 -2.02 0.00 0.00 58.31 53.09 4ukd n LYS 168 Cb 0.26 -1.85 -0.12 0.00 -0.02 0.00 0.00 35.03 33.30 4ukd n LYS 168 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 4ukd s VAL 169 N -1.95 3.95 -0.17 -0.18 1.01 -1.26 0.15 120.40 121.95 4ukd s VAL 169 Ca 0.47 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 62.10 4ukd s VAL 169 Cb 0.32 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 4ukd s VAL 169 CO 0.21 0.46 -0.06 -0.54 0.00 0.00 0.00 175.10 175.17 4ukd s LYS 170 N 0.70 3.52 -0.16 2.72 -0.14 0.13 -4.96 119.74 121.55 4ukd s LYS 170 Ca -0.01 -0.59 -0.04 0.00 -1.36 0.00 0.00 55.97 53.97 4ukd s LYS 170 Cb -0.14 -2.87 -0.03 0.00 -1.68 0.00 0.00 37.83 33.11 4ukd s LYS 170 CO 0.02 0.11 -0.03 0.42 -0.76 0.00 0.00 175.35 175.11 4ukd s ILE 171 N 0.67 3.96 -0.15 2.17 1.01 -1.26 -0.46 121.20 127.14 4ukd s ILE 171 Ca -0.03 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.30 4ukd s ILE 171 Cb -0.15 -2.74 0.01 0.00 0.01 0.00 0.00 42.46 39.60 4ukd s ILE 171 CO 0.02 0.49 -0.20 -0.63 0.00 0.00 0.00 174.94 174.62 4ukd s ILE 172 N 0.38 1.96 0.04 2.92 -1.09 -0.32 -4.97 121.20 120.12 4ukd s ILE 172 Ca -0.04 -0.90 -0.30 0.00 -2.23 0.00 0.00 60.65 57.18 4ukd s ILE 172 Cb -0.14 -1.76 -0.07 0.00 -1.58 0.00 0.00 42.46 38.91 4ukd s ILE 172 CO 0.03 0.53 1.62 -2.84 -1.23 0.00 0.00 174.94 173.04 4ukd s PRO 173 N 1.05 4.21 0.00 2.79 0.02 -1.26 -1.95 135.00 139.86 4ukd s PRO 173 Ca -0.02 2.26 0.23 0.00 0.02 0.00 0.00 61.00 63.49 4ukd s PRO 173 Cb -0.14 -3.65 0.21 0.00 0.02 0.00 0.00 34.50 30.93 4ukd s PRO 173 CO -0.06 -0.72 1.25 0.00 -0.33 0.00 0.00 177.00 177.13 4ukd n ALA 174 N 5.78 2.46 -1.84 -1.55 0.00 0.36 -4.62 120.51 121.08 4ukd n ALA 174 Ca 0.16 -0.71 -0.36 0.00 0.00 0.00 0.00 53.44 52.52 4ukd n ALA 174 Cb 0.41 -0.79 -0.02 0.00 0.00 0.00 0.00 19.45 19.05 4ukd n ALA 174 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 4ukd n ASN 175 N 1.32 7.65 -3.47 0.00 5.15 -1.26 -4.85 115.26 119.81 4ukd n ASN 175 Ca 0.14 -3.14 -0.14 0.00 -0.60 0.00 0.00 54.58 50.85 4ukd n ASN 175 Cb 0.58 -1.33 -0.05 0.00 -0.53 0.00 0.00 39.78 38.45 4ukd n ASN 175 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 4ukd s ARG 176 N -1.20 1.78 0.32 1.20 0.52 -1.26 -5.13 118.95 115.18 4ukd s ARG 176 Ca 0.56 -1.66 -0.29 0.00 -0.52 0.00 0.00 55.73 53.82 4ukd s ARG 176 Cb 0.23 0.43 -0.12 0.00 0.52 0.00 0.00 34.95 36.01 4ukd s ARG 176 CO -0.12 -0.73 1.35 -3.47 0.02 0.00 0.00 175.30 172.35 4ukd n ASP 177 N -1.12 2.93 -0.12 0.23 2.03 -1.26 -4.79 116.55 114.45 4ukd n ASP 177 Ca 0.01 1.19 0.24 0.00 0.52 0.00 0.00 54.79 56.75 4ukd n ASP 177 Cb 0.62 -1.49 0.68 0.00 -0.72 0.00 0.00 41.12 40.21 4ukd n ASP 177 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 4ukd h VAL 178 N 2.74 0.64 0.01 5.18 3.04 -1.99 -1.01 116.25 124.86 4ukd h VAL 178 Ca -0.46 -0.02 -0.23 0.00 -1.01 0.00 0.00 66.70 64.98 4ukd h VAL 178 Cb 1.27 0.58 -0.03 0.00 -2.01 0.00 0.00 31.29 31.10 4ukd h VAL 178 CO 0.67 0.01 -1.17 0.78 -1.01 0.00 0.00 177.57 176.85 4ukd h ASN 179 N 0.06 0.03 -0.37 3.17 2.35 -1.97 -1.23 115.58 117.61 4ukd h ASN 179 Ca 0.36 -0.04 -0.16 0.00 -0.55 0.00 0.00 56.30 55.92 4ukd h ASN 179 Cb 1.37 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.72 4ukd h ASN 179 CO -0.03 1.03 -0.38 -0.33 -1.65 0.00 0.00 177.43 176.08 4ukd h GLU 180 N 0.01 0.93 -0.44 0.81 5.08 -1.58 -0.85 114.58 118.52 4ukd h GLU 180 Ca -0.08 -0.48 -0.14 0.00 -1.00 0.00 0.00 59.36 57.66 4ukd h GLU 180 Cb 1.84 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.09 4ukd h GLU 180 CO 0.12 1.14 -0.26 0.28 -1.00 0.00 0.00 179.01 179.29 4ukd h VAL 181 N 0.76 1.27 0.00 3.13 2.07 -1.27 -2.86 116.25 119.35 4ukd h VAL 181 Ca 0.06 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.16 4ukd h VAL 181 Cb 0.97 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 4ukd h VAL 181 CO 0.09 0.49 0.00 0.22 0.02 0.00 0.00 177.57 178.39 4ukd h TYR 182 N 0.80 0.00 -0.16 1.57 3.20 -1.12 -2.57 116.97 118.69 4ukd h TYR 182 Ca 0.09 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.81 4ukd h TYR 182 Cb 0.85 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 4ukd h TYR 182 CO 0.06 0.00 -0.54 -0.97 -1.64 0.00 0.00 178.16 175.07 4ukd h ASN 183 N 0.00 0.53 -0.02 -2.11 -1.24 -0.91 -3.31 115.58 108.52 4ukd h ASN 183 Ca 0.00 -0.28 -0.05 0.00 0.71 0.00 0.00 56.30 56.68 4ukd h ASN 183 Cb 0.57 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.47 4ukd h ASN 183 CO 0.00 0.97 -0.19 0.44 -1.29 0.00 0.00 177.43 177.36 4ukd h ASP 184 N 0.37 0.21 -3.96 1.15 3.32 -1.51 -2.78 116.42 113.23 4ukd h ASP 184 Ca 0.01 -0.70 -0.54 0.00 0.02 0.00 0.00 57.03 55.82 4ukd h ASP 184 Cb 1.07 -0.06 0.11 0.00 0.22 0.00 0.00 39.33 40.66 4ukd h ASP 184 CO 0.10 0.88 0.76 -0.69 -1.72 0.00 0.00 179.24 178.57 4ukd s VAL 185 N -3.42 2.06 0.00 -1.35 1.01 -0.99 -1.37 120.40 116.35 4ukd s VAL 185 Ca -0.16 0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.88 4ukd s VAL 185 Cb 0.01 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.36 4ukd s VAL 185 CO 0.73 0.01 0.00 1.21 0.00 0.00 0.00 175.10 177.06 4ukd n GLU 186 N 0.30 0.00 -0.11 2.72 2.13 -1.26 -4.57 120.64 119.85 4ukd n GLU 186 Ca 0.02 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.82 4ukd n GLU 186 Cb 0.40 0.00 0.22 0.00 0.27 0.00 0.00 31.44 32.33 4ukd n GLU 186 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 4ukd h ASN 187 N 0.00 0.71 -0.14 4.31 2.35 -1.19 0.23 115.58 121.86 4ukd h ASN 187 Ca 0.00 -0.12 -0.08 0.00 -0.55 0.00 0.00 56.30 55.56 4ukd h ASN 187 Cb 0.00 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.18 4ukd h ASN 187 CO 0.00 0.69 -0.21 0.25 -1.65 0.00 0.00 177.43 176.51 4ukd h LEU 188 N 0.75 0.43 -0.72 1.61 5.85 -1.47 0.53 115.31 122.29 4ukd h LEU 188 Ca 0.17 -0.52 -0.11 0.00 0.84 0.00 0.00 57.88 58.26 4ukd h LEU 188 Cb 0.26 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 4ukd h LEU 188 CO -0.00 0.87 -0.15 -0.26 -0.34 0.00 0.00 178.44 178.55 4ukd h PHE 189 N 0.00 0.91 -0.18 1.25 -1.00 -1.73 0.61 116.94 116.80 4ukd h PHE 189 Ca 0.01 -0.19 -0.02 0.00 2.81 0.00 0.00 57.97 60.59 4ukd h PHE 189 Cb 0.78 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 40.10 4ukd h PHE 189 CO 0.09 0.91 0.04 0.87 -1.61 0.00 0.00 178.31 178.62 4ukd h LYS 190 N 0.73 0.28 0.00 1.51 1.57 -0.49 -1.84 116.57 118.33 4ukd h LYS 190 Ca 0.11 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 4ukd h LYS 190 Cb 0.66 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 4ukd h LYS 190 CO 0.05 0.42 -0.13 0.66 -0.57 0.00 0.00 179.45 179.87 4ukd h SER 191 N 0.09 0.00 0.39 0.86 4.64 -0.53 0.40 113.55 119.40 4ukd h SER 191 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 4ukd h SER 191 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 4ukd h SER 191 CO 0.00 0.13 -0.01 0.23 -0.87 0.00 0.00 176.83 176.31 4ukd n MET 192 N -3.73 0.62 -0.78 4.77 2.81 0.18 -4.90 117.12 116.08 4ukd n MET 192 Ca -0.02 -0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 4ukd n MET 192 Cb 0.24 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 4ukd n MET 192 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 4ukd n GLY 193 N 1.21 0.84 0.71 3.03 0.00 0.13 -5.07 105.19 106.04 4ukd n GLY 193 Ca 0.17 -0.56 0.09 0.00 0.00 0.00 0.00 46.02 45.72 4ukd n GLY 193 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01