#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ukd s LYS 5 N 0.00 4.45 0.51 4.33 1.02 -1.26 -4.79 119.74 123.99 2ukd s LYS 5 Ca 0.00 1.96 -0.23 0.00 0.02 0.00 0.00 55.97 57.72 2ukd s LYS 5 Cb 0.00 -3.06 -0.06 0.00 -0.52 0.00 0.00 37.83 34.19 2ukd s LYS 5 CO 0.00 -0.01 1.39 -1.25 -0.92 0.00 0.00 175.35 174.56 2ukd s PRO 6 N -1.71 3.32 0.16 -1.68 0.04 -1.26 -4.73 135.00 129.14 2ukd s PRO 6 Ca 0.48 2.32 -0.25 0.00 0.04 0.00 0.00 61.00 63.59 2ukd s PRO 6 Cb -0.34 -2.40 -0.08 0.00 0.04 0.00 0.00 34.50 31.72 2ukd s PRO 6 CO 0.45 -1.07 0.76 -0.80 0.04 0.00 0.00 177.00 176.37 2ukd s ASN 7 N -0.77 7.36 -0.07 6.66 -0.87 -1.26 -1.02 114.94 124.97 2ukd s ASN 7 Ca 0.68 1.61 0.03 0.00 -1.57 0.00 0.00 52.86 53.62 2ukd s ASN 7 Cb -0.42 -2.49 0.00 0.00 -0.02 0.00 0.00 41.25 38.33 2ukd s ASN 7 CO 0.51 0.21 -0.17 -0.69 -2.57 0.00 0.00 177.10 174.40 2ukd s VAL 8 N -1.15 1.49 -0.18 1.60 1.01 -0.87 -0.91 120.40 121.38 2ukd s VAL 8 Ca 0.35 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.63 2ukd s VAL 8 Cb -0.23 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 34.86 2ukd s VAL 8 CO 0.26 0.43 -0.17 -0.69 0.00 0.00 0.00 175.10 174.93 2ukd s VAL 9 N 0.37 2.36 0.20 2.92 1.01 -0.68 -0.62 120.40 125.95 2ukd s VAL 9 Ca -0.12 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 2ukd s VAL 9 Cb -0.15 -2.01 -0.08 0.00 0.00 0.00 0.00 36.38 34.14 2ukd s VAL 9 CO 0.05 0.52 1.11 -0.36 0.00 0.00 0.00 175.10 176.41 2ukd s PHE 10 N 1.27 3.58 -0.28 5.22 0.08 -1.04 -0.86 117.98 125.95 2ukd s PHE 10 Ca 0.04 1.61 0.01 0.00 0.12 0.00 0.00 56.93 58.71 2ukd s PHE 10 Cb -0.14 -3.29 0.06 0.00 -0.57 0.00 0.00 43.02 39.09 2ukd s PHE 10 CO -0.10 -0.63 -0.05 0.08 -0.10 0.00 0.00 175.22 174.42 2ukd s VAL 11 N -0.42 2.49 0.37 -0.44 1.01 0.65 -0.74 120.40 123.32 2ukd s VAL 11 Ca 0.49 -1.62 0.07 0.00 0.00 0.00 0.00 61.98 60.91 2ukd s VAL 11 Cb -0.30 -2.49 -0.07 0.00 0.00 0.00 0.00 36.38 33.51 2ukd s VAL 11 CO 0.36 -0.12 -0.01 -0.76 0.00 0.00 0.00 175.10 174.57 2ukd s LEU 12 N 1.14 2.69 0.00 3.92 1.43 0.21 -1.25 118.68 126.81 2ukd s LEU 12 Ca -0.06 -1.32 0.00 0.00 -1.03 0.00 0.00 54.13 51.72 2ukd s LEU 12 Cb -0.20 -0.80 0.00 0.00 0.03 0.00 0.00 46.19 45.22 2ukd s LEU 12 CO -0.04 -0.43 0.00 0.61 0.23 0.00 0.00 176.35 176.73 2ukd n GLY 13 N -0.85 3.24 3.63 -3.19 0.00 -1.26 -1.38 105.19 105.38 2ukd n GLY 13 Ca -0.05 -1.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 2ukd n GLY 13 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ukd s GLY 14 N 0.00 1.57 0.03 -0.02 0.00 -1.26 -4.88 107.32 102.76 2ukd s GLY 14 Ca 0.00 -0.62 -0.30 0.00 0.00 0.00 0.00 44.72 43.80 2ukd s GLY 14 CO 0.00 0.12 1.84 2.56 0.00 0.00 0.00 173.10 177.62 2ukd s PRO 15 N -5.13 4.16 0.00 2.90 0.04 -1.26 -2.13 135.00 133.58 2ukd s PRO 15 Ca 0.68 2.48 0.00 0.00 0.04 0.00 0.00 61.00 64.20 2ukd s PRO 15 Cb -0.15 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.40 2ukd s PRO 15 CO 0.57 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 177.13 2ukd n GLY 16 N 4.34 0.70 0.00 0.56 0.00 -1.26 -4.75 105.19 104.78 2ukd n GLY 16 Ca 0.19 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.19 2ukd n GLY 16 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ukd n SER 17 N 0.25 0.00 0.00 1.61 3.41 -0.90 -4.70 113.62 113.28 2ukd n SER 17 Ca 0.00 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 2ukd n SER 17 Cb 0.00 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 2ukd n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ukd n GLY 18 N 1.13 1.71 0.12 5.00 0.00 -1.26 -4.88 105.19 107.01 2ukd n GLY 18 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 2ukd n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ukd h LYS 19 N 0.00 0.29 -0.76 1.61 1.57 -1.90 -1.80 116.57 115.58 2ukd h LYS 19 Ca 0.00 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 2ukd h LYS 19 Cb 0.00 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 2ukd h LYS 19 CO 0.00 0.58 0.26 0.78 -0.57 0.00 0.00 179.45 180.50 2ukd h GLY 20 N -0.03 1.25 0.83 3.86 0.00 -1.99 -1.51 103.07 105.48 2ukd h GLY 20 Ca 0.04 -0.72 -0.00 0.00 0.00 0.00 0.00 47.33 46.65 2ukd h GLY 20 CO 0.02 0.67 0.01 -0.84 0.00 0.00 0.00 176.54 176.40 2ukd h THR 21 N 1.12 1.15 -0.14 4.70 2.02 -1.96 -1.36 112.91 118.43 2ukd h THR 21 Ca 0.25 -0.45 -0.12 0.00 0.77 0.00 0.00 66.41 66.86 2ukd h THR 21 Cb 0.28 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 2ukd h THR 21 CO -0.01 0.12 -0.44 1.56 0.37 0.00 0.00 175.52 177.12 2ukd h GLN 22 N -0.11 0.35 -0.45 6.66 1.08 -1.34 -2.95 115.11 118.34 2ukd h GLN 22 Ca 0.01 -0.18 -0.06 0.00 -1.45 0.00 0.00 58.65 56.97 2ukd h GLN 22 Cb 0.19 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 2ukd h GLN 22 CO -0.00 0.72 0.03 0.00 -0.95 0.00 0.00 178.83 178.63 2ukd h ALA 24 N 1.35 1.41 -0.45 0.00 0.00 -1.08 -1.06 119.26 119.43 2ukd h ALA 24 Ca 0.14 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2ukd h ALA 24 Cb 0.38 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2ukd h ALA 24 CO 0.01 0.51 -0.15 -0.91 0.00 0.00 0.00 179.25 178.71 2ukd h ASN 25 N 1.00 0.91 -0.51 0.00 2.35 -1.41 -1.92 115.58 115.99 2ukd h ASN 25 Ca 0.26 -0.38 -0.06 0.00 -0.55 0.00 0.00 56.30 55.57 2ukd h ASN 25 Cb -0.04 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.06 2ukd h ASN 25 CO -0.05 1.08 0.09 0.40 -1.65 0.00 0.00 177.43 177.31 2ukd h ILE 26 N 0.73 1.25 -0.56 2.81 2.04 -0.93 -1.72 117.51 121.13 2ukd h ILE 26 Ca 0.11 -0.92 0.06 0.00 1.00 0.00 0.00 64.86 65.11 2ukd h ILE 26 Cb 0.71 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 2ukd h ILE 26 CO 0.05 0.33 0.28 0.58 0.00 0.00 0.00 178.15 179.39 2ukd h VAL 27 N 0.72 0.93 -0.73 1.67 2.07 -1.09 0.40 116.25 120.21 2ukd h VAL 27 Ca 0.16 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 2ukd h VAL 27 Cb 0.38 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 2ukd h VAL 27 CO 0.01 0.10 0.28 -0.09 0.02 0.00 0.00 177.57 177.89 2ukd h ARG 28 N 0.52 1.08 0.00 1.57 2.43 -0.92 -0.97 114.38 118.09 2ukd h ARG 28 Ca 0.25 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2ukd h ARG 28 Cb 0.18 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2ukd h ARG 28 CO -0.19 0.88 -1.99 -0.25 -1.51 0.00 0.00 179.97 176.92 2ukd n ASP 29 N -4.29 0.02 0.00 -3.80 8.00 -0.69 -4.59 116.55 111.21 2ukd n ASP 29 Ca 0.06 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.57 2ukd n ASP 29 Cb 0.19 1.92 0.00 0.00 -0.02 0.00 0.00 41.12 43.21 2ukd n ASP 29 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2ukd n PHE 30 N -2.29 0.00 -1.41 1.24 3.01 0.11 -5.04 117.46 113.08 2ukd n PHE 30 Ca -0.05 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.37 2ukd n PHE 30 Cb 0.59 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.05 2ukd n PHE 30 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2ukd n GLY 31 N 2.05 0.54 3.83 1.37 0.00 -0.37 -5.02 105.19 107.60 2ukd n GLY 31 Ca 0.00 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 2ukd n GLY 31 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ukd s TRP 32 N -2.17 3.07 -0.09 1.61 0.52 -1.26 -4.77 118.94 115.86 2ukd s TRP 32 Ca 0.00 1.18 -0.15 0.00 0.02 0.00 0.00 56.10 57.15 2ukd s TRP 32 Cb 0.00 -3.03 -0.05 0.00 -1.15 0.00 0.00 33.47 29.24 2ukd s TRP 32 CO 0.00 -1.44 0.38 0.08 0.02 0.00 0.00 176.95 175.99 2ukd s VAL 33 N -3.19 5.19 -0.34 4.03 1.01 -0.11 -4.59 120.40 122.39 2ukd s VAL 33 Ca 0.59 0.74 -0.13 0.00 0.00 0.00 0.00 61.98 63.18 2ukd s VAL 33 Cb -0.13 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 2ukd s VAL 33 CO 0.54 0.45 0.27 -2.28 0.00 0.00 0.00 175.10 174.07 2ukd s HIS 34 N -0.11 3.23 -0.35 5.22 2.46 -1.26 -1.21 115.29 123.26 2ukd s HIS 34 Ca 0.22 -0.18 -0.05 0.00 0.47 0.00 0.00 55.06 55.51 2ukd s HIS 34 Cb -0.15 -2.52 0.06 0.00 -0.13 0.00 0.00 32.58 29.84 2ukd s HIS 34 CO 0.09 -0.38 0.12 -0.51 -2.47 0.00 0.00 174.74 171.59 2ukd s LEU 35 N 1.78 4.50 -0.33 8.88 1.43 -0.09 -5.00 118.68 129.85 2ukd s LEU 35 Ca 0.07 -1.38 -0.19 0.00 -1.03 0.00 0.00 54.13 51.61 2ukd s LEU 35 Cb -0.17 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 2ukd s LEU 35 CO 0.11 -0.38 0.55 -0.55 0.23 0.00 0.00 176.35 176.31 2ukd s SER 36 N 1.55 6.38 0.28 2.29 0.15 -1.26 -0.54 113.70 122.55 2ukd s SER 36 Ca -0.00 0.15 -0.03 0.00 0.70 0.00 0.00 55.95 56.77 2ukd s SER 36 Cb -0.21 -2.29 0.38 0.00 -1.71 0.00 0.00 66.02 62.20 2ukd s SER 36 CO 0.01 -0.47 1.90 0.00 1.20 0.00 0.00 173.24 175.88 2ukd h ALA 37 N 8.35 1.29 -0.44 5.45 0.00 -1.42 -0.46 119.26 132.04 2ukd h ALA 37 Ca -0.28 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 2ukd h ALA 37 Cb 1.12 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2ukd h ALA 37 CO 0.78 0.57 0.12 0.78 0.00 0.00 0.00 179.25 181.49 2ukd h GLY 38 N 1.09 0.75 1.17 0.00 0.00 -1.85 -1.78 103.07 102.45 2ukd h GLY 38 Ca 0.26 -0.46 -0.11 0.00 0.00 0.00 0.00 47.33 47.02 2ukd h GLY 38 CO -0.04 0.43 -0.13 -0.55 0.00 0.00 0.00 176.54 176.25 2ukd h ASP 39 N 0.58 0.97 -0.81 0.19 3.32 -1.82 -1.78 116.42 117.06 2ukd h ASP 39 Ca 0.14 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 2ukd h ASP 39 Cb 0.30 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 2ukd h ASP 39 CO -0.00 1.09 0.44 -0.07 -1.72 0.00 0.00 179.24 178.98 2ukd h LEU 40 N 0.86 1.02 -0.35 1.55 3.38 -0.95 0.32 115.31 121.15 2ukd h LEU 40 Ca 0.13 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 2ukd h LEU 40 Cb 0.68 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2ukd h LEU 40 CO 0.05 0.83 -0.13 -0.07 0.09 0.00 0.00 178.44 179.21 2ukd h LEU 41 N 1.14 0.71 -0.25 1.67 3.38 -1.05 -1.11 115.31 119.80 2ukd h LEU 41 Ca 0.29 -0.39 0.06 0.00 0.09 0.00 0.00 57.88 57.93 2ukd h LEU 41 Cb 0.04 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 2ukd h LEU 41 CO -0.04 0.94 -0.17 0.03 0.09 0.00 0.00 178.44 179.28 2ukd h ARG 42 N 0.48 -0.16 -0.73 1.13 3.08 -1.09 -2.63 114.38 114.46 2ukd h ARG 42 Ca 0.08 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.23 2ukd h ARG 42 Cb 0.65 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.69 2ukd h ARG 42 CO 0.04 -0.10 0.48 1.96 -1.07 0.00 0.00 179.97 181.28 2ukd h GLN 43 N -0.16 0.65 -0.08 0.04 4.20 -0.63 -0.67 115.11 118.46 2ukd h GLN 43 Ca 0.14 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.70 2ukd h GLN 43 Cb 0.37 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 2ukd h GLN 43 CO -0.35 0.43 -0.44 1.49 -0.67 0.00 0.00 178.83 179.29 2ukd h GLU 44 N 0.67 0.19 -0.03 1.46 4.57 -1.00 -1.15 114.58 119.29 2ukd h GLU 44 Ca 0.33 -0.09 -0.11 0.00 -1.18 0.00 0.00 59.36 58.30 2ukd h GLU 44 Cb 0.41 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.01 2ukd h GLU 44 CO -0.12 0.60 -0.42 0.37 -1.18 0.00 0.00 179.01 178.27 2ukd h GLN 45 N 0.16 0.34 0.00 1.92 4.15 -0.87 -3.04 115.11 117.76 2ukd h GLN 45 Ca 0.01 -0.32 -0.03 0.00 0.77 0.00 0.00 58.65 59.08 2ukd h GLN 45 Cb 0.85 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.62 2ukd h GLN 45 CO 0.07 0.99 -0.14 1.96 -1.93 0.00 0.00 178.83 179.78 2ukd h GLN 46 N -0.19 0.00 -0.44 1.69 4.20 -0.91 -0.98 115.11 118.48 2ukd h GLN 46 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2ukd h GLN 46 Cb 1.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.89 2ukd h GLN 46 CO 0.08 0.14 0.00 0.43 -0.67 0.00 0.00 178.83 178.81 2ukd n SER 47 N -3.66 1.44 -2.81 1.46 7.64 -0.46 -4.95 113.62 112.28 2ukd n SER 47 Ca -0.02 -2.08 -0.20 0.00 1.01 0.00 0.00 58.87 57.58 2ukd n SER 47 Cb 0.26 -0.27 0.04 0.00 -1.01 0.00 0.00 64.21 63.23 2ukd n SER 47 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ukd n GLY 48 N 0.58 -0.38 3.72 0.23 0.00 -0.37 -5.01 105.19 103.96 2ukd n GLY 48 Ca 0.07 0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2ukd n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ukd s SER 49 N -2.86 2.59 0.38 1.61 1.04 -1.24 -4.97 113.70 110.25 2ukd s SER 49 Ca 0.32 0.89 0.09 0.00 0.48 0.00 0.00 55.95 57.74 2ukd s SER 49 Cb -0.14 -1.38 0.75 0.00 0.10 0.00 0.00 66.02 65.35 2ukd s SER 49 CO 0.40 -3.12 1.91 0.07 0.98 0.00 0.00 173.24 173.48 2ukd h LYS 50 N -1.89 0.28 0.00 4.02 -0.00 -1.94 -2.80 116.57 114.24 2ukd h LYS 50 Ca -0.50 -0.06 0.00 0.00 -0.00 0.00 0.00 60.65 60.08 2ukd h LYS 50 Cb 1.32 -0.04 0.00 0.00 -0.00 0.00 0.00 32.23 33.51 2ukd h LYS 50 CO 0.53 0.40 0.00 -0.25 -0.00 0.00 0.00 179.45 180.13 2ukd n ASP 51 N -4.27 0.00 -0.14 7.07 8.00 -1.26 -4.37 116.55 121.58 2ukd n ASP 51 Ca -0.00 -0.50 -0.08 0.00 0.71 0.00 0.00 54.79 54.92 2ukd n ASP 51 Cb 0.27 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 2ukd n ASP 51 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2ukd h GLY 52 N 4.65 0.61 1.81 0.44 0.00 -1.82 0.01 103.07 108.77 2ukd h GLY 52 Ca 0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 2ukd h GLY 52 CO 0.00 0.24 -0.23 -2.09 0.00 0.00 0.00 176.54 174.46 2ukd h GLU 53 N 0.56 0.23 0.27 4.80 4.81 -1.83 -0.54 114.58 122.88 2ukd h GLU 53 Ca 0.15 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2ukd h GLU 53 Cb -0.02 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2ukd h GLU 53 CO -0.03 0.46 -0.13 1.98 -0.73 0.00 0.00 179.01 180.56 2ukd h MET 54 N 0.21 -0.34 -0.66 1.92 4.05 -1.60 -2.43 114.93 116.08 2ukd h MET 54 Ca 0.04 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 2ukd h MET 54 Cb 0.53 0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.37 2ukd h MET 54 CO 0.04 -0.07 0.38 0.82 0.23 0.00 0.00 176.91 178.31 2ukd h ILE 55 N -0.60 1.20 -0.66 1.77 2.04 -0.90 -1.71 117.51 118.65 2ukd h ILE 55 Ca -0.04 -0.47 0.06 0.00 1.00 0.00 0.00 64.86 65.42 2ukd h ILE 55 Cb 0.43 0.31 -0.06 0.00 -0.74 0.00 0.00 36.82 36.77 2ukd h ILE 55 CO 0.06 0.21 0.36 0.00 0.00 0.00 0.00 178.15 178.78 2ukd h ALA 56 N 1.19 0.88 -0.15 1.87 0.00 -1.04 -0.61 119.26 121.39 2ukd h ALA 56 Ca 0.23 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 2ukd h ALA 56 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2ukd h ALA 56 CO -0.04 0.03 -0.48 1.15 0.00 0.00 0.00 179.25 179.91 2ukd h THR 57 N 0.66 1.34 -0.48 0.00 2.02 -0.87 -2.36 112.91 113.22 2ukd h THR 57 Ca 0.30 -1.75 -0.07 0.00 0.77 0.00 0.00 66.41 65.66 2ukd h THR 57 Cb 0.19 2.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 2ukd h THR 57 CO -0.19 0.54 0.01 0.24 0.37 0.00 0.00 175.52 176.49 2ukd h MET 58 N 0.25 0.79 -0.44 6.66 2.07 -0.99 -1.59 114.93 121.67 2ukd h MET 58 Ca -0.02 -0.20 -0.06 0.00 -2.07 0.00 0.00 59.70 57.36 2ukd h MET 58 Cb 1.10 -0.10 -0.02 0.00 -1.87 0.00 0.00 31.60 30.72 2ukd h MET 58 CO 0.10 0.78 0.06 0.82 1.07 0.00 0.00 176.91 179.75 2ukd h ILE 59 N 0.74 1.25 -0.47 -1.22 2.04 -1.04 0.32 117.51 119.12 2ukd h ILE 59 Ca 0.15 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 2ukd h ILE 59 Cb 0.43 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 2ukd h ILE 59 CO 0.02 0.32 0.19 0.50 0.00 0.00 0.00 178.15 179.18 2ukd h LYS 60 N 0.59 0.67 -0.35 2.37 3.64 -1.03 -1.84 116.57 120.62 2ukd h LYS 60 Ca 0.13 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2ukd h LYS 60 Cb 0.40 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2ukd h LYS 60 CO 0.01 0.55 0.00 0.09 -2.27 0.00 0.00 179.45 177.83 2ukd n ASN 61 N -4.36 3.13 -1.84 4.20 3.02 -0.63 -4.62 115.26 114.15 2ukd n ASN 61 Ca 0.04 -1.95 -0.17 0.00 -0.03 0.00 0.00 54.58 52.47 2ukd n ASN 61 Cb 0.15 -0.22 -0.02 0.00 -0.61 0.00 0.00 39.78 39.07 2ukd n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ukd n GLY 62 N 1.44 0.11 3.88 7.41 0.00 0.84 -4.70 105.19 114.16 2ukd n GLY 62 Ca 0.19 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 2ukd n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ukd s GLU 63 N -4.56 3.79 -0.30 1.61 2.02 0.38 -4.63 118.70 117.01 2ukd s GLU 63 Ca 0.00 0.38 -0.24 0.00 0.02 0.00 0.00 54.97 55.13 2ukd s GLU 63 Cb 0.00 -2.49 0.00 0.00 0.10 0.00 0.00 34.13 31.74 2ukd s GLU 63 CO 0.00 0.10 0.79 0.42 0.02 0.00 0.00 175.26 176.59 2ukd s ILE 64 N -2.17 4.79 0.36 -1.63 -1.09 -1.26 -4.50 121.20 115.69 2ukd s ILE 64 Ca 0.50 1.21 -0.27 0.00 -2.23 0.00 0.00 60.65 59.85 2ukd s ILE 64 Cb -0.10 -4.15 -0.12 0.00 -1.58 0.00 0.00 42.46 36.51 2ukd s ILE 64 CO 0.27 -0.24 1.20 0.52 -1.23 0.00 0.00 174.94 175.46 2ukd n VAL 65 N 5.52 2.15 -1.56 2.92 0.31 -1.26 -4.91 118.33 121.51 2ukd n VAL 65 Ca 0.04 -0.50 -0.50 0.00 -0.01 0.00 0.00 64.34 63.36 2ukd n VAL 65 Cb 0.48 -1.41 -0.05 0.00 -0.91 0.00 0.00 33.84 31.95 2ukd n VAL 65 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2ukd n PRO 66 N 0.44 0.93 0.27 5.55 -0.02 -1.26 -4.84 135.00 136.06 2ukd n PRO 66 Ca 0.06 0.33 0.13 0.00 -2.02 0.00 0.00 63.50 62.00 2ukd n PRO 66 Cb 0.36 -1.80 0.76 0.00 -0.02 0.00 0.00 33.50 32.80 2ukd n PRO 66 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2ukd h SER 67 N 3.26 0.00 -0.03 2.55 0.02 -1.91 -1.87 113.55 115.57 2ukd h SER 67 Ca -0.43 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.49 2ukd h SER 67 Cb 1.36 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.89 2ukd h SER 67 CO 0.69 0.10 -0.03 -0.29 -1.14 0.00 0.00 176.83 176.16 2ukd h ILE 68 N 0.00 1.10 0.16 3.27 2.10 -1.97 -0.29 117.51 121.88 2ukd h ILE 68 Ca -0.00 -0.41 -0.01 0.00 1.08 0.00 0.00 64.86 65.53 2ukd h ILE 68 Cb 0.27 1.05 0.00 0.00 -1.09 0.00 0.00 36.82 37.05 2ukd h ILE 68 CO 0.01 0.13 -0.08 0.58 -1.08 0.00 0.00 178.15 177.72 2ukd h VAL 69 N 0.17 0.91 0.03 2.19 2.07 -1.69 -3.16 116.25 116.76 2ukd h VAL 69 Ca 0.04 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 2ukd h VAL 69 Cb 0.17 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2ukd h VAL 69 CO 0.01 0.23 -0.01 0.74 0.02 0.00 0.00 177.57 178.55 2ukd h THR 70 N -0.82 1.11 -0.02 2.57 2.02 -1.55 -2.18 112.91 114.05 2ukd h THR 70 Ca -0.02 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 2ukd h THR 70 Cb 0.53 1.40 -0.00 0.00 -1.74 0.00 0.00 68.15 68.34 2ukd h THR 70 CO 0.04 0.11 -0.05 0.58 0.37 0.00 0.00 175.52 176.57 2ukd h VAL 71 N -0.23 1.05 -0.56 3.16 2.07 -1.22 -1.68 116.25 118.84 2ukd h VAL 71 Ca -0.00 -0.21 -0.10 0.00 0.82 0.00 0.00 66.70 67.21 2ukd h VAL 71 Cb 0.21 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2ukd h VAL 71 CO 0.01 0.06 -0.02 0.50 0.02 0.00 0.00 177.57 178.14 2ukd h LYS 72 N 0.03 1.01 -0.26 1.57 3.64 -1.36 -1.06 116.57 120.13 2ukd h LYS 72 Ca 0.01 -0.33 -0.19 0.00 -1.27 0.00 0.00 60.65 58.86 2ukd h LYS 72 Cb 0.10 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2ukd h LYS 72 CO 0.01 1.01 -0.60 -0.07 -2.27 0.00 0.00 179.45 177.53 2ukd h LEU 73 N 0.89 0.97 -1.03 5.20 3.38 -1.05 -1.19 115.31 122.49 2ukd h LEU 73 Ca 0.16 -0.55 -0.05 0.00 0.09 0.00 0.00 57.88 57.53 2ukd h LEU 73 Cb 0.57 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2ukd h LEU 73 CO 0.03 1.35 0.18 -0.07 0.09 0.00 0.00 178.44 180.02 2ukd h LEU 74 N 0.64 0.81 -0.15 1.67 3.38 -1.29 -2.65 115.31 117.72 2ukd h LEU 74 Ca -0.00 -0.13 -0.19 0.00 0.09 0.00 0.00 57.88 57.65 2ukd h LEU 74 Cb 1.21 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.76 2ukd h LEU 74 CO 0.13 0.77 -0.64 0.50 0.09 0.00 0.00 178.44 179.29 2ukd h LYS 75 N 0.85 0.70 -0.28 1.13 3.64 -1.04 -1.40 116.57 120.18 2ukd h LYS 75 Ca 0.19 -0.55 0.06 0.00 -1.27 0.00 0.00 60.65 59.08 2ukd h LYS 75 Cb 0.25 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.12 2ukd h LYS 75 CO -0.01 1.17 -0.15 -0.91 -2.27 0.00 0.00 179.45 177.28 2ukd h ASN 76 N 0.39 -0.49 0.22 4.20 2.35 -1.17 0.80 115.58 121.87 2ukd h ASN 76 Ca -0.04 0.11 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 2ukd h ASN 76 Cb 1.27 0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.90 2ukd h ASN 76 CO 0.13 -0.18 -0.34 0.00 -1.65 0.00 0.00 177.43 175.39 2ukd h ALA 77 N 1.09 1.25 -0.18 -0.83 0.00 -1.42 -2.01 119.26 117.16 2ukd h ALA 77 Ca 0.15 -0.35 -0.18 0.00 0.00 0.00 0.00 54.91 54.52 2ukd h ALA 77 Cb 0.34 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2ukd h ALA 77 CO -0.35 0.51 -0.64 0.82 0.00 0.00 0.00 179.25 179.60 2ukd h ILE 78 N 0.17 1.31 0.00 0.00 2.04 -0.62 -2.99 117.51 117.42 2ukd h ILE 78 Ca 0.02 -1.90 -0.04 0.00 1.00 0.00 0.00 64.86 63.94 2ukd h ILE 78 Cb 0.69 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 2ukd h ILE 78 CO 0.05 0.59 -0.19 0.44 0.00 0.00 0.00 178.15 179.04 2ukd h ASP 79 N 0.47 0.00 1.16 1.72 3.32 -0.43 -2.34 116.42 120.32 2ukd h ASP 79 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2ukd h ASP 79 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2ukd h ASP 79 CO 0.12 0.19 -0.04 0.00 -1.72 0.00 0.00 179.24 177.80 2ukd n ALA 80 N -2.19 2.38 -3.07 3.45 0.00 -0.79 -4.15 120.51 116.13 2ukd n ALA 80 Ca 0.01 -0.08 -0.26 0.00 0.00 0.00 0.00 53.44 53.11 2ukd n ALA 80 Cb 0.46 -1.45 -0.05 0.00 0.00 0.00 0.00 19.45 18.41 2ukd n ALA 80 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2ukd n ASN 81 N -1.81 3.67 -4.73 0.00 3.02 -0.88 -5.07 115.26 109.46 2ukd n ASN 81 Ca 0.06 -3.51 -0.42 0.00 -0.03 0.00 0.00 54.58 50.69 2ukd n ASN 81 Cb 0.38 -0.59 -0.02 0.00 -0.61 0.00 0.00 39.78 38.93 2ukd n ASN 81 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2ukd s GLN 82 N -3.06 4.18 0.00 3.52 -1.52 -1.26 -2.77 119.66 118.75 2ukd s GLN 82 Ca 0.46 2.46 0.00 0.00 -1.95 0.00 0.00 55.36 56.33 2ukd s GLN 82 Cb 0.26 -3.09 0.00 0.00 -0.22 0.00 0.00 33.01 29.96 2ukd s GLN 82 CO -0.11 -0.61 0.00 0.41 -0.25 0.00 0.00 175.29 174.73 2ukd n GLY 83 N 3.09 0.77 3.62 3.09 0.00 -1.26 -5.07 105.19 109.43 2ukd n GLY 83 Ca 0.11 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 2ukd n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ukd s LYS 84 N -0.68 2.23 0.11 1.61 -0.14 -1.11 -5.09 119.74 116.66 2ukd s LYS 84 Ca 0.00 -1.40 0.03 0.00 -1.36 0.00 0.00 55.97 53.24 2ukd s LYS 84 Cb 0.00 -2.15 -0.04 0.00 -1.68 0.00 0.00 37.83 33.96 2ukd s LYS 84 CO 0.00 0.38 0.13 -0.80 -0.76 0.00 0.00 175.35 174.30 2ukd s ASN 85 N -3.50 5.68 -0.07 2.83 0.01 -1.26 -4.48 114.94 114.15 2ukd s ASN 85 Ca 0.30 -0.01 0.04 0.00 -0.71 0.00 0.00 52.86 52.48 2ukd s ASN 85 Cb -0.07 -1.55 0.00 0.00 0.41 0.00 0.00 41.25 40.04 2ukd s ASN 85 CO 0.19 0.12 -0.19 -0.36 -1.51 0.00 0.00 177.10 175.35 2ukd s PHE 86 N -1.56 1.99 -0.39 2.20 0.08 -0.09 -0.93 117.98 119.28 2ukd s PHE 86 Ca 0.31 -0.70 -0.19 0.00 0.12 0.00 0.00 56.93 56.47 2ukd s PHE 86 Cb -0.11 -1.35 0.01 0.00 -0.57 0.00 0.00 43.02 40.99 2ukd s PHE 86 CO 0.24 -0.28 0.55 -0.51 -0.10 0.00 0.00 175.22 175.12 2ukd s LEU 87 N 0.26 4.49 -0.28 -0.37 1.43 -0.35 -1.69 118.68 122.17 2ukd s LEU 87 Ca -0.11 -0.24 -0.07 0.00 -1.03 0.00 0.00 54.13 52.68 2ukd s LEU 87 Cb -0.15 -2.61 -0.00 0.00 0.03 0.00 0.00 46.19 43.46 2ukd s LEU 87 CO 0.05 -0.61 0.07 0.54 0.23 0.00 0.00 176.35 176.64 2ukd s VAL 88 N 2.51 4.03 -0.19 -1.59 0.11 -0.04 -0.92 120.40 124.31 2ukd s VAL 88 Ca 0.19 -0.56 -0.04 0.00 -2.93 0.00 0.00 61.98 58.64 2ukd s VAL 88 Cb -0.15 -3.02 -0.02 0.00 -1.53 0.00 0.00 36.38 31.65 2ukd s VAL 88 CO 0.15 0.15 -0.02 -0.62 -3.33 0.00 0.00 175.10 171.44 2ukd s ASP 89 N 1.53 4.76 0.00 3.54 2.15 0.30 -0.25 116.67 128.70 2ukd s ASP 89 Ca 0.04 -0.20 0.00 0.00 0.43 0.00 0.00 52.55 52.82 2ukd s ASP 89 Cb -0.17 -1.80 0.00 0.00 -0.30 0.00 0.00 42.92 40.65 2ukd s ASP 89 CO 0.02 0.09 0.00 0.61 -0.17 0.00 0.00 175.17 175.72 2ukd n GLY 90 N 4.10 0.40 3.53 2.66 0.00 -0.38 -1.14 105.19 114.34 2ukd n GLY 90 Ca -0.17 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 2ukd n GLY 90 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ukd s PHE 91 N -2.00 -0.71 0.28 1.61 2.19 -1.26 -4.44 117.98 113.64 2ukd s PHE 91 Ca 0.00 1.69 -0.29 0.00 0.33 0.00 0.00 56.93 58.66 2ukd s PHE 91 Cb 0.00 0.27 -0.09 0.00 -1.31 0.00 0.00 43.02 41.89 2ukd s PHE 91 CO 0.00 -0.35 1.00 -1.25 1.83 0.00 0.00 175.22 176.46 2ukd s PRO 92 N 0.49 4.69 -0.00 10.12 0.05 -1.26 -4.35 135.00 144.74 2ukd s PRO 92 Ca -0.01 1.58 0.21 0.00 0.05 0.00 0.00 61.00 62.83 2ukd s PRO 92 Cb -0.05 -3.13 -0.18 0.00 0.05 0.00 0.00 34.50 31.20 2ukd s PRO 92 CO -0.02 0.33 0.92 0.54 0.05 0.00 0.00 177.00 178.82 2ukd n ARG 93 N 1.15 0.04 -3.92 4.56 1.74 -1.26 -4.97 116.66 114.00 2ukd n ARG 93 Ca -0.01 -0.01 -0.10 0.00 -0.77 0.00 0.00 57.85 56.96 2ukd n ARG 93 Cb 0.47 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.39 2ukd n ARG 93 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2ukd s ASN 94 N -3.10 0.20 0.23 0.55 2.20 -1.26 -2.26 114.94 111.50 2ukd s ASN 94 Ca 0.07 -1.13 -0.06 0.00 -0.94 0.00 0.00 52.86 50.80 2ukd s ASN 94 Cb 0.16 0.75 0.29 0.00 -2.00 0.00 0.00 41.25 40.45 2ukd s ASN 94 CO 0.86 -1.46 1.86 -0.08 -2.94 0.00 0.00 177.10 175.34 2ukd h GLU 95 N 2.06 0.98 0.18 3.55 4.81 -1.96 -2.62 114.58 121.59 2ukd h GLU 95 Ca -0.28 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 58.89 2ukd h GLU 95 Cb 1.25 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 2ukd h GLU 95 CO 0.37 0.65 -0.19 1.49 -0.73 0.00 0.00 179.01 180.60 2ukd h GLU 96 N 1.01 -0.38 -0.88 1.92 4.81 -1.99 0.34 114.58 119.41 2ukd h GLU 96 Ca 0.35 0.03 0.16 0.00 -0.13 0.00 0.00 59.36 59.77 2ukd h GLU 96 Cb 0.09 0.09 -0.16 0.00 0.63 0.00 0.00 28.75 29.39 2ukd h GLU 96 CO -0.14 -0.26 -0.28 -0.91 -0.73 0.00 0.00 179.01 176.70 2ukd h ASN 97 N -0.40 -1.01 -0.36 1.04 -0.26 -1.90 -1.04 115.58 111.65 2ukd h ASN 97 Ca 0.00 0.27 -0.05 0.00 -0.56 0.00 0.00 56.30 55.96 2ukd h ASN 97 Cb 0.38 0.60 -0.01 0.00 -1.06 0.00 0.00 38.32 38.23 2ukd h ASN 97 CO -0.05 -0.29 0.01 -1.13 -1.06 0.00 0.00 177.43 174.91 2ukd h ASN 98 N -0.02 0.61 -0.29 5.81 -1.24 -0.96 -1.49 115.58 118.01 2ukd h ASN 98 Ca 0.38 -0.30 -0.05 0.00 0.71 0.00 0.00 56.30 57.04 2ukd h ASN 98 Cb 0.63 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.49 2ukd h ASN 98 CO -0.90 0.76 0.01 0.78 -1.29 0.00 0.00 177.43 176.79 2ukd h ASN 99 N 0.44 0.57 1.07 1.15 -0.26 -0.41 -1.68 115.58 116.46 2ukd h ASN 99 Ca 0.10 -0.11 -0.11 0.00 -0.56 0.00 0.00 56.30 55.62 2ukd h ASN 99 Cb 0.43 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.53 2ukd h ASN 99 CO 0.02 0.63 -0.51 -1.28 -1.06 0.00 0.00 177.43 175.23 2ukd h SER 100 N 0.58 0.00 0.16 5.81 0.87 -1.02 -0.45 113.55 119.50 2ukd h SER 100 Ca 0.12 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 2ukd h SER 100 Cb 0.35 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2ukd h SER 100 CO 0.01 0.51 -0.08 -0.25 -0.53 0.00 0.00 176.83 176.49 2ukd h TRP 101 N 0.00 -0.20 0.00 2.24 2.91 -0.57 -2.42 115.95 117.90 2ukd h TRP 101 Ca -0.01 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.01 2ukd h TRP 101 Cb 1.18 0.07 0.00 0.00 -0.51 0.00 0.00 29.16 29.90 2ukd h TRP 101 CO 0.00 0.18 0.00 0.93 -1.03 0.00 0.00 178.44 178.52 2ukd h GLU 102 N -0.65 0.00 0.05 2.65 5.08 -1.17 0.29 114.58 120.84 2ukd h GLU 102 Ca -0.02 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.10 2ukd h GLU 102 Cb 0.48 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2ukd h GLU 102 CO 0.04 0.00 -1.15 1.49 -1.00 0.00 0.00 179.01 178.39 2ukd h GLU 103 N 0.00 0.12 0.00 2.33 4.57 -1.06 -3.35 114.58 117.18 2ukd h GLU 103 Ca 0.00 -0.20 -0.18 0.00 -1.18 0.00 0.00 59.36 57.80 2ukd h GLU 103 Cb 0.37 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.00 2ukd h GLU 103 CO 0.00 1.07 -2.02 0.09 -1.18 0.00 0.00 179.01 176.97 2ukd n ASN 104 N -3.41 0.88 -0.00 1.04 4.13 -0.92 -4.80 115.26 112.18 2ukd n ASN 104 Ca -0.05 0.00 0.01 0.00 1.68 0.00 0.00 54.58 56.22 2ukd n ASN 104 Cb 0.98 1.28 -0.01 0.00 -1.54 0.00 0.00 39.78 40.48 2ukd n ASN 104 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 2ukd n MET 105 N -2.42 2.85 -0.31 3.52 2.81 0.99 -4.85 117.12 119.71 2ukd n MET 105 Ca -0.18 -0.01 0.18 0.00 -1.81 0.00 0.00 57.70 55.88 2ukd n MET 105 Cb 0.81 -0.85 0.37 0.00 -0.71 0.00 0.00 33.22 32.84 2ukd n MET 105 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2ukd h LYS 106 N 0.00 0.24 -0.42 0.03 3.64 -1.70 -0.36 116.57 118.00 2ukd h LYS 106 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2ukd h LYS 106 Cb 0.08 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2ukd h LYS 106 CO 0.00 0.16 0.00 -0.40 -2.27 0.00 0.00 179.45 176.94 2ukd n ASP 107 N -5.17 3.25 -0.06 4.20 5.68 -1.26 -4.26 116.55 118.93 2ukd n ASP 107 Ca 0.26 -1.93 -0.18 0.00 -0.50 0.00 0.00 54.79 52.44 2ukd n ASP 107 Cb 0.81 -0.27 -0.13 0.00 -1.14 0.00 0.00 41.12 40.39 2ukd n ASP 107 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 2ukd n PHE 108 N 1.14 0.59 -4.41 2.11 3.01 -0.24 -5.04 117.46 114.62 2ukd n PHE 108 Ca 0.17 0.14 -0.22 0.00 1.01 0.00 0.00 57.45 58.54 2ukd n PHE 108 Cb 0.52 -1.08 -0.10 0.00 -0.01 0.00 0.00 39.48 38.81 2ukd n PHE 108 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 2ukd s VAL 109 N -2.54 2.17 -0.67 -4.37 -7.23 -0.62 -4.12 120.40 103.02 2ukd s VAL 109 Ca -0.25 -2.28 -0.04 0.00 -1.81 0.00 0.00 61.98 57.60 2ukd s VAL 109 Cb 0.08 -2.16 0.17 0.00 0.56 0.00 0.00 36.38 35.03 2ukd s VAL 109 CO 0.71 -0.44 0.51 -0.62 -0.31 0.00 0.00 175.10 174.95 2ukd s ASP 110 N -3.32 5.47 -0.39 4.85 -1.08 -0.19 -4.78 116.67 117.23 2ukd s ASP 110 Ca 0.26 -2.92 -0.29 0.00 -0.52 0.00 0.00 52.55 49.08 2ukd s ASP 110 Cb -0.04 -1.90 0.02 0.00 -1.46 0.00 0.00 42.92 39.54 2ukd s ASP 110 CO 0.11 -0.37 1.10 0.28 0.52 0.00 0.00 175.17 176.81 2ukd s THR 111 N -0.16 4.37 -0.17 1.71 -1.32 -1.26 -2.04 115.64 116.77 2ukd s THR 111 Ca 0.18 1.50 -0.16 0.00 -1.21 0.00 0.00 61.69 62.01 2ukd s THR 111 Cb -0.18 -4.50 -0.12 0.00 -1.51 0.00 0.00 72.50 66.19 2ukd s THR 111 CO -0.05 -0.73 0.10 0.11 -2.21 0.00 0.00 174.62 171.85 2ukd h LYS 112 N 8.61 0.00 -2.96 7.08 1.79 -1.26 -3.48 116.57 126.36 2ukd h LYS 112 Ca -0.22 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.32 2ukd h LYS 112 Cb 1.06 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.65 2ukd h LYS 112 CO 1.08 0.53 0.24 -0.59 -1.08 0.00 0.00 179.45 179.63 2ukd s PHE 113 N -2.22 -0.21 -0.28 -1.35 -0.71 -1.26 -5.00 117.98 106.95 2ukd s PHE 113 Ca -0.20 -0.23 -0.09 0.00 -1.04 0.00 0.00 56.93 55.38 2ukd s PHE 113 Cb 0.03 0.70 -0.02 0.00 -1.21 0.00 0.00 43.02 42.51 2ukd s PHE 113 CO 0.40 -1.19 0.13 0.08 -1.34 0.00 0.00 175.22 173.30 2ukd s VAL 114 N -3.87 4.64 -0.37 -2.49 1.01 0.37 -2.49 120.40 117.21 2ukd s VAL 114 Ca 0.10 -0.19 -0.22 0.00 0.00 0.00 0.00 61.98 61.67 2ukd s VAL 114 Cb -0.05 -3.26 0.01 0.00 0.00 0.00 0.00 36.38 33.08 2ukd s VAL 114 CO 0.05 0.21 0.72 -0.22 0.00 0.00 0.00 175.10 175.87 2ukd s LEU 115 N 1.65 4.19 -0.23 3.92 2.96 0.08 -0.75 118.68 130.50 2ukd s LEU 115 Ca 0.06 0.24 -0.04 0.00 -0.22 0.00 0.00 54.13 54.17 2ukd s LEU 115 Cb -0.16 -2.93 -0.01 0.00 0.50 0.00 0.00 46.19 43.60 2ukd s LEU 115 CO 0.06 -0.69 -0.02 0.12 -1.32 0.00 0.00 176.35 174.50 2ukd s PHE 116 N 2.95 2.99 -0.52 5.38 5.36 0.32 -0.62 117.98 133.85 2ukd s PHE 116 Ca 0.28 -0.91 -0.19 0.00 -0.96 0.00 0.00 56.93 55.15 2ukd s PHE 116 Cb -0.14 -2.13 0.07 0.00 -0.34 0.00 0.00 43.02 40.48 2ukd s PHE 116 CO 0.16 -0.54 0.62 -0.06 -1.46 0.00 0.00 175.22 173.94 2ukd s PHE 117 N 1.49 3.06 -0.16 10.12 0.08 -0.48 -0.88 117.98 131.21 2ukd s PHE 117 Ca 0.05 -0.68 -0.21 0.00 0.12 0.00 0.00 56.93 56.22 2ukd s PHE 117 Cb -0.15 -3.60 -0.03 0.00 -0.57 0.00 0.00 43.02 38.67 2ukd s PHE 117 CO -0.02 -1.06 0.63 0.34 -0.10 0.00 0.00 175.22 175.01 2ukd s ASP 118 N 2.89 6.76 -0.07 1.36 2.15 -0.71 -4.22 116.67 124.82 2ukd s ASP 118 Ca 0.13 0.92 -0.17 0.00 0.43 0.00 0.00 52.55 53.86 2ukd s ASP 118 Cb -0.21 -2.36 0.03 0.00 -0.30 0.00 0.00 42.92 40.09 2ukd s ASP 118 CO 0.10 -0.22 0.39 0.00 -0.17 0.00 0.00 175.17 175.28 2ukd s PRO 120 N -0.76 3.56 0.26 0.00 0.02 -1.26 -4.92 135.00 131.90 2ukd s PRO 120 Ca -0.08 1.80 -0.03 0.00 0.02 0.00 0.00 61.00 62.71 2ukd s PRO 120 Cb -0.04 -2.28 0.40 0.00 0.02 0.00 0.00 34.50 32.60 2ukd s PRO 120 CO 0.04 -0.73 1.87 0.93 -0.33 0.00 0.00 177.00 178.78 2ukd h GLU 121 N 1.75 1.09 -0.15 5.54 5.08 -1.99 -1.49 114.58 124.42 2ukd h GLU 121 Ca -0.50 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 57.69 2ukd h GLU 121 Cb 1.26 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 2ukd h GLU 121 CO 0.59 0.72 -0.37 0.93 -1.00 0.00 0.00 179.01 179.88 2ukd h GLU 122 N 1.12 0.31 -0.17 2.33 3.07 -1.99 0.13 114.58 119.37 2ukd h GLU 122 Ca 0.42 -0.14 -0.17 0.00 -0.50 0.00 0.00 59.36 58.98 2ukd h GLU 122 Cb 0.19 -0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.10 2ukd h GLU 122 CO -0.18 0.64 -0.55 0.28 -1.40 0.00 0.00 179.01 177.80 2ukd h VAL 123 N 0.26 1.32 -0.69 3.13 2.07 -1.81 -2.88 116.25 117.65 2ukd h VAL 123 Ca 0.03 -1.79 -0.02 0.00 0.82 0.00 0.00 66.70 65.74 2ukd h VAL 123 Cb 0.78 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 2ukd h VAL 123 CO 0.06 0.56 0.36 0.24 0.02 0.00 0.00 177.57 178.81 2ukd h MET 124 N 0.37 0.96 -0.43 1.57 2.86 -0.95 -2.14 114.93 117.17 2ukd h MET 124 Ca -0.02 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 2ukd h MET 124 Cb 1.17 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 2ukd h MET 124 CO 0.12 0.72 0.24 1.15 1.06 0.00 0.00 176.91 180.20 2ukd h THR 125 N 0.97 1.15 -0.50 2.22 2.02 -0.96 -2.31 112.91 115.50 2ukd h THR 125 Ca 0.24 -0.38 -0.05 0.00 0.77 0.00 0.00 66.41 67.00 2ukd h THR 125 Cb 0.05 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 2ukd h THR 125 CO -0.04 0.16 0.12 1.56 0.37 0.00 0.00 175.52 177.69 2ukd h GLN 126 N 0.56 0.80 -0.65 6.66 1.08 -1.25 -1.57 115.11 120.75 2ukd h GLN 126 Ca 0.15 -0.20 0.05 0.00 -1.45 0.00 0.00 58.65 57.20 2ukd h GLN 126 Cb 0.04 -0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.31 2ukd h GLN 126 CO -0.03 0.78 0.37 0.00 -0.95 0.00 0.00 178.83 179.00 2ukd h ARG 127 N 0.69 0.69 -0.07 1.46 3.08 -1.27 -1.97 114.38 116.99 2ukd h ARG 127 Ca 0.16 -0.04 -0.20 0.00 0.07 0.00 0.00 59.98 59.96 2ukd h ARG 127 Cb 0.34 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 2ukd h ARG 127 CO 0.00 0.46 -0.80 -0.07 -1.07 0.00 0.00 179.97 178.49 2ukd h LEU 128 N 0.71 0.57 -1.35 3.04 3.38 -1.14 -1.18 115.31 119.34 2ukd h LEU 128 Ca 0.28 -0.40 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 2ukd h LEU 128 Cb 0.12 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2ukd h LEU 128 CO -0.15 1.16 -0.32 -0.07 0.09 0.00 0.00 178.44 179.15 2ukd h LEU 129 N 0.30 0.00 -0.14 1.67 3.38 -1.10 0.27 115.31 119.70 2ukd h LEU 129 Ca -0.05 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 2ukd h LEU 129 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.16 2ukd h LEU 129 CO 0.14 0.32 -0.34 0.11 0.09 0.00 0.00 178.44 178.77 2ukd h LYS 130 N 0.00 0.47 0.00 1.13 1.57 -1.15 -2.99 116.57 115.60 2ukd h LYS 130 Ca -0.00 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 2ukd h LYS 130 Cb 0.59 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 2ukd h LYS 130 CO 0.04 0.94 -0.06 -0.09 -0.57 0.00 0.00 179.45 179.70 2ukd h ARG 131 N 0.08 0.00 -0.26 3.15 2.43 -0.87 -3.02 114.38 115.89 2ukd h ARG 131 Ca -0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2ukd h ARG 131 Cb 0.94 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.48 2ukd h ARG 131 CO 0.07 0.06 -0.03 0.78 -1.51 0.00 0.00 179.97 179.34 2ukd h GLY 132 N 0.35 0.43 1.17 2.80 0.00 -0.31 0.14 103.07 107.65 2ukd h GLY 132 Ca -0.00 -0.25 0.05 0.00 0.00 0.00 0.00 47.33 47.13 2ukd h GLY 132 CO 0.01 0.24 0.43 0.83 0.00 0.00 0.00 176.54 178.05 2ukd h GLU 133 N 0.39 0.69 0.00 4.80 4.39 -1.56 -3.35 114.58 119.94 2ukd h GLU 133 Ca 0.08 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2ukd h GLU 133 Cb 0.31 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2ukd h GLU 133 CO 0.01 0.46 -0.01 -1.13 -1.16 0.00 0.00 179.01 177.18 2ukd n SER 134 N -4.47 0.06 0.07 1.42 3.41 -0.99 -4.76 113.62 108.36 2ukd n SER 134 Ca 0.09 -0.49 -0.09 0.00 -0.26 0.00 0.00 58.87 58.11 2ukd n SER 134 Cb 0.19 1.00 0.01 0.00 -0.26 0.00 0.00 64.21 65.15 2ukd n SER 134 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2ukd h SER 135 N 0.00 0.37 -5.18 4.04 4.64 -0.87 -3.47 113.55 113.08 2ukd h SER 135 Ca 0.00 -0.27 -0.41 0.00 -0.47 0.00 0.00 61.79 60.64 2ukd h SER 135 Cb 0.00 -0.11 0.02 0.00 -0.31 0.00 0.00 62.40 62.00 2ukd h SER 135 CO 0.00 1.04 -0.63 0.61 -0.87 0.00 0.00 176.83 176.98 2ukd n GLY 136 N 0.72 -0.51 3.85 -0.77 0.00 -1.26 -4.98 105.19 102.24 2ukd n GLY 136 Ca -0.04 0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 2ukd n GLY 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ukd s ARG 137 N -6.00 3.84 0.07 1.61 0.52 -1.26 -5.00 118.95 112.73 2ukd s ARG 137 Ca 0.42 0.30 0.18 0.00 -0.52 0.00 0.00 55.73 56.10 2ukd s ARG 137 Cb -0.20 -3.08 0.74 0.00 0.52 0.00 0.00 34.95 32.93 2ukd s ARG 137 CO 0.52 0.60 1.55 -1.13 0.02 0.00 0.00 175.30 176.86 2ukd n SER 138 N 1.25 0.20 -0.21 0.23 3.41 -1.26 -3.34 113.62 113.90 2ukd n SER 138 Ca -0.10 0.55 0.09 0.00 -0.26 0.00 0.00 58.87 59.14 2ukd n SER 138 Cb 0.52 -0.59 0.15 0.00 -0.26 0.00 0.00 64.21 64.03 2ukd n SER 138 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2ukd n ASP 139 N -1.71 2.58 -2.15 4.04 5.75 -1.26 -4.70 116.55 119.10 2ukd n ASP 139 Ca 0.03 -2.96 -0.21 0.00 -0.01 0.00 0.00 54.79 51.64 2ukd n ASP 139 Cb 0.19 -0.41 0.19 0.00 -1.03 0.00 0.00 41.12 40.07 2ukd n ASP 139 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2ukd n ASP 140 N -1.16 3.77 -4.79 -1.12 8.00 -1.21 -4.09 116.55 115.95 2ukd n ASP 140 Ca 0.15 -3.59 -0.23 0.00 0.71 0.00 0.00 54.79 51.84 2ukd n ASP 140 Cb 0.64 -0.82 -0.06 0.00 -0.02 0.00 0.00 41.12 40.87 2ukd n ASP 140 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2ukd s ASN 141 N -1.35 4.74 0.27 -2.24 2.20 -1.26 -4.54 114.94 112.75 2ukd s ASN 141 Ca 0.56 -0.86 -0.00 0.00 -0.94 0.00 0.00 52.86 51.62 2ukd s ASN 141 Cb 0.47 -0.61 0.37 0.00 -2.00 0.00 0.00 41.25 39.48 2ukd s ASN 141 CO 0.11 -0.50 1.75 0.16 -2.94 0.00 0.00 177.10 175.68 2ukd h ILE 142 N 1.33 1.24 -0.11 0.54 -0.00 -1.99 -0.84 117.51 117.68 2ukd h ILE 142 Ca -0.43 -1.08 0.01 0.00 -0.00 0.00 0.00 64.86 63.37 2ukd h ILE 142 Cb 1.26 1.04 -0.01 0.00 -0.00 0.00 0.00 36.82 39.10 2ukd h ILE 142 CO 0.64 0.37 0.03 -0.08 -0.00 0.00 0.00 178.15 179.10 2ukd h GLU 143 N 0.63 0.08 -0.30 0.16 4.57 -1.96 -2.38 114.58 115.37 2ukd h GLU 143 Ca 0.11 -0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.13 2ukd h GLU 143 Cb 0.52 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 2ukd h GLU 143 CO 0.03 0.05 -0.44 0.77 -1.18 0.00 0.00 179.01 178.24 2ukd h SER 144 N 0.08 0.84 -0.58 1.04 0.02 -1.72 -2.84 113.55 110.38 2ukd h SER 144 Ca 0.05 -0.40 -0.05 0.00 -0.84 0.00 0.00 61.79 60.55 2ukd h SER 144 Cb 0.03 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 2ukd h SER 144 CO -0.06 1.15 0.18 0.40 -1.14 0.00 0.00 176.83 177.37 2ukd h ILE 145 N 0.62 1.24 -0.17 3.27 2.04 -0.96 -0.22 117.51 123.32 2ukd h ILE 145 Ca 0.04 -0.82 -0.12 0.00 1.00 0.00 0.00 64.86 64.96 2ukd h ILE 145 Cb 1.01 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 2ukd h ILE 145 CO 0.10 0.32 -0.42 0.11 0.00 0.00 0.00 178.15 178.25 2ukd h LYS 146 N 0.91 0.41 -0.14 2.37 1.79 -1.28 -0.53 116.57 120.11 2ukd h LYS 146 Ca 0.20 -0.21 -0.11 0.00 -2.18 0.00 0.00 60.65 58.36 2ukd h LYS 146 Cb 0.28 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 2ukd h LYS 146 CO -0.01 0.76 -0.39 0.87 -1.08 0.00 0.00 179.45 179.60 2ukd h LYS 147 N 0.34 0.30 -0.21 3.15 1.57 -1.07 -2.21 116.57 118.44 2ukd h LYS 147 Ca 0.03 -0.14 -0.16 0.00 -1.87 0.00 0.00 60.65 58.51 2ukd h LYS 147 Cb 0.88 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 2ukd h LYS 147 CO 0.07 0.65 -0.52 0.00 -0.57 0.00 0.00 179.45 179.08 2ukd h ARG 148 N 0.25 0.58 -0.07 3.15 3.08 -0.56 -2.77 114.38 118.05 2ukd h ARG 148 Ca 0.02 -0.35 -0.00 0.00 0.07 0.00 0.00 59.98 59.72 2ukd h ARG 148 Cb 0.81 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.89 2ukd h ARG 148 CO 0.06 0.96 0.03 0.74 -1.07 0.00 0.00 179.97 180.70 2ukd h PHE 149 N 0.46 0.10 -0.48 3.04 0.04 -0.82 -1.60 116.94 117.68 2ukd h PHE 149 Ca 0.02 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 2ukd h PHE 149 Cb 1.06 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 39.16 2ukd h PHE 149 CO 0.05 0.19 0.30 -0.97 -0.60 0.00 0.00 178.31 177.28 2ukd h ASN 150 N -0.02 0.56 -0.84 2.17 -1.24 -1.42 -0.10 115.58 114.70 2ukd h ASN 150 Ca 0.02 -0.03 -0.01 0.00 0.71 0.00 0.00 56.30 56.99 2ukd h ASN 150 Cb 0.13 -0.14 -0.04 0.00 0.73 0.00 0.00 38.32 39.00 2ukd h ASN 150 CO -0.00 0.43 0.50 0.74 -1.29 0.00 0.00 177.43 177.80 2ukd h THR 151 N 0.64 1.24 -0.59 -3.57 2.02 -1.48 0.47 112.91 111.63 2ukd h THR 151 Ca 0.17 -0.53 0.04 0.00 0.77 0.00 0.00 66.41 66.86 2ukd h THR 151 Cb -0.04 0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 66.39 2ukd h THR 151 CO -0.04 0.25 0.34 0.15 0.37 0.00 0.00 175.52 176.59 2ukd h PHE 152 N 1.15 0.63 -0.26 3.16 3.57 -0.84 -1.26 116.94 123.09 2ukd h PHE 152 Ca 0.30 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.65 2ukd h PHE 152 Cb -0.03 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.51 2ukd h PHE 152 CO -0.00 0.33 -0.51 -0.91 -2.23 0.00 0.00 178.31 174.99 2ukd h ASN 153 N 0.65 0.80 0.33 0.41 2.35 -0.31 -1.91 115.58 117.91 2ukd h ASN 153 Ca 0.25 -0.41 -0.33 0.00 -0.55 0.00 0.00 56.30 55.26 2ukd h ASN 153 Cb 0.09 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 2ukd h ASN 153 CO -0.14 1.17 -1.76 0.58 -1.65 0.00 0.00 177.43 175.64 2ukd h VAL 154 N 0.57 0.87 0.00 2.81 2.07 -0.90 -3.39 116.25 118.28 2ukd h VAL 154 Ca 0.02 -2.59 -0.29 0.00 0.82 0.00 0.00 66.70 64.66 2ukd h VAL 154 Cb 1.08 2.58 -0.04 0.00 -1.52 0.00 0.00 31.29 33.39 2ukd h VAL 154 CO 0.11 0.76 -1.93 0.00 0.02 0.00 0.00 177.57 176.54 2ukd n GLN 155 N -3.36 0.41 0.08 1.57 6.02 -0.48 -4.67 117.38 116.95 2ukd n GLN 155 Ca -0.22 0.18 -0.09 0.00 -0.01 0.00 0.00 57.00 56.85 2ukd n GLN 155 Cb 1.05 -1.19 0.01 0.00 1.02 0.00 0.00 30.24 31.12 2ukd n GLN 155 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2ukd h THR 156 N -0.71 1.45 -0.12 5.09 2.02 -0.96 -3.07 112.91 116.61 2ukd h THR 156 Ca -0.44 -2.43 0.01 0.00 0.77 0.00 0.00 66.41 64.32 2ukd h THR 156 Cb 1.35 2.34 -0.01 0.00 -1.74 0.00 0.00 68.15 70.09 2ukd h THR 156 CO -0.27 0.72 0.08 0.11 0.37 0.00 0.00 175.52 176.53 2ukd h LYS 157 N 0.16 0.12 -0.22 6.66 1.57 -1.57 -0.95 116.57 122.35 2ukd h LYS 157 Ca -0.04 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 2ukd h LYS 157 Cb 1.43 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.70 2ukd h LYS 157 CO 0.13 0.08 -0.31 -0.07 -0.57 0.00 0.00 179.45 178.71 2ukd h LEU 158 N 0.12 0.45 -0.55 2.94 -0.00 -1.80 -1.88 115.31 114.58 2ukd h LEU 158 Ca 0.05 -0.17 -0.15 0.00 -0.00 0.00 0.00 57.88 57.61 2ukd h LEU 158 Cb 0.04 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 40.57 2ukd h LEU 158 CO -0.01 0.74 -0.49 0.58 -0.00 0.00 0.00 178.44 179.26 2ukd h VAL 159 N 0.38 1.31 -0.28 1.22 2.07 -1.26 -1.94 116.25 117.75 2ukd h VAL 159 Ca 0.05 -1.71 -0.15 0.00 0.82 0.00 0.00 66.70 65.71 2ukd h VAL 159 Cb 0.74 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 2ukd h VAL 159 CO 0.06 0.54 -0.45 0.40 0.02 0.00 0.00 177.57 178.14 2ukd h ILE 160 N 0.47 1.29 -0.87 4.57 2.04 -1.17 -2.32 117.51 121.52 2ukd h ILE 160 Ca 0.02 -1.64 -0.02 0.00 1.00 0.00 0.00 64.86 64.23 2ukd h ILE 160 Cb 1.03 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 38.62 2ukd h ILE 160 CO 0.10 0.53 0.48 0.44 0.00 0.00 0.00 178.15 179.69 2ukd h ASP 161 N 0.58 1.08 -0.51 1.72 5.19 -1.29 -1.50 116.42 121.67 2ukd h ASP 161 Ca 0.04 -0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.35 2ukd h ASP 161 Cb 1.00 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 40.21 2ukd h ASP 161 CO 0.09 0.86 0.29 -0.74 -3.12 0.00 0.00 179.24 176.62 2ukd h HIS 162 N 1.21 0.70 0.00 4.55 2.76 -0.82 -2.31 115.15 121.24 2ukd h HIS 162 Ca 0.31 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 2ukd h HIS 162 Cb 0.02 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 28.75 2ukd h HIS 162 CO 0.01 0.51 0.00 1.88 -1.30 0.00 0.00 177.93 179.03 2ukd h TYR 163 N 0.69 0.00 0.00 5.26 0.05 -1.02 -3.19 116.97 118.76 2ukd h TYR 163 Ca 0.18 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.77 2ukd h TYR 163 Cb 0.04 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.75 2ukd h TYR 163 CO -0.02 0.00 -0.91 -0.97 -1.05 0.00 0.00 178.16 175.22 2ukd h ASN 164 N 0.00 0.00 0.12 3.88 -0.00 -0.74 -0.14 115.58 118.69 2ukd h ASN 164 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2ukd h ASN 164 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.10 2ukd h ASN 164 CO 0.00 0.91 0.00 2.29 -0.00 0.00 0.00 177.43 180.63 2ukd n LYS 165 N -3.41 0.74 -0.48 6.67 2.85 -1.02 -0.80 118.16 122.71 2ukd n LYS 165 Ca -0.00 0.01 0.08 0.00 -1.05 0.00 0.00 58.31 57.35 2ukd n LYS 165 Cb 0.88 -1.50 0.27 0.00 -0.65 0.00 0.00 35.03 34.03 2ukd n LYS 165 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2ukd n PHE 166 N -1.07 1.07 -2.55 5.58 3.01 -1.05 -4.94 117.46 117.52 2ukd n PHE 166 Ca 0.19 -0.79 -0.14 0.00 1.01 0.00 0.00 57.45 57.71 2ukd n PHE 166 Cb 0.12 -0.30 -0.00 0.00 -0.01 0.00 0.00 39.48 39.29 2ukd n PHE 166 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2ukd n ASP 167 N -0.10 -4.14 -1.22 4.37 9.92 0.02 -4.89 116.55 120.51 2ukd n ASP 167 Ca 0.21 0.10 0.09 0.00 -0.53 0.00 0.00 54.79 54.67 2ukd n ASP 167 Cb 0.87 -3.49 0.29 0.00 -0.64 0.00 0.00 41.12 38.15 2ukd n ASP 167 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2ukd n LYS 168 N -2.96 3.19 -4.44 -1.24 5.02 -0.09 -4.89 118.16 112.75 2ukd n LYS 168 Ca -0.14 -2.62 -0.34 0.00 -2.02 0.00 0.00 58.31 53.19 2ukd n LYS 168 Cb 0.61 -1.65 -0.13 0.00 -0.02 0.00 0.00 35.03 33.84 2ukd n LYS 168 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2ukd s VAL 169 N -1.52 3.66 -0.18 -0.18 1.01 -1.25 -0.48 120.40 121.46 2ukd s VAL 169 Ca 0.43 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 2ukd s VAL 169 Cb 0.26 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 2ukd s VAL 169 CO 0.23 0.49 -0.04 -0.54 0.00 0.00 0.00 175.10 175.24 2ukd s LYS 170 N 0.46 3.55 -0.19 2.72 -0.14 0.07 -4.95 119.74 121.26 2ukd s LYS 170 Ca -0.05 -0.57 -0.06 0.00 -1.36 0.00 0.00 55.97 53.94 2ukd s LYS 170 Cb -0.15 -2.95 -0.03 0.00 -1.68 0.00 0.00 37.83 33.03 2ukd s LYS 170 CO 0.03 0.07 0.01 0.42 -0.76 0.00 0.00 175.35 175.12 2ukd s ILE 171 N 0.81 4.21 -0.14 2.17 1.01 -1.26 -0.52 121.20 127.48 2ukd s ILE 171 Ca -0.01 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.42 2ukd s ILE 171 Cb -0.15 -2.89 0.00 0.00 0.01 0.00 0.00 42.46 39.43 2ukd s ILE 171 CO 0.02 0.45 -0.18 -0.63 0.00 0.00 0.00 174.94 174.60 2ukd s ILE 172 N 0.69 2.48 0.04 2.92 -1.09 -0.06 -4.96 121.20 121.22 2ukd s ILE 172 Ca 0.01 -0.84 -0.30 0.00 -2.23 0.00 0.00 60.65 57.28 2ukd s ILE 172 Cb -0.14 -2.02 -0.05 0.00 -1.58 0.00 0.00 42.46 38.67 2ukd s ILE 172 CO 0.02 0.53 1.18 -2.16 -1.23 0.00 0.00 174.94 173.28 2ukd s PRO 173 N 0.71 4.44 0.00 2.79 0.04 -1.26 -1.75 135.00 139.97 2ukd s PRO 173 Ca -0.08 1.72 0.10 0.00 0.04 0.00 0.00 61.00 62.78 2ukd s PRO 173 Cb -0.16 -3.39 0.24 0.00 0.04 0.00 0.00 34.50 31.24 2ukd s PRO 173 CO 0.01 -0.26 1.15 0.00 0.04 0.00 0.00 177.00 177.95 2ukd n ALA 174 N 4.09 2.23 -1.56 8.56 0.00 0.02 -4.63 120.51 129.23 2ukd n ALA 174 Ca 0.09 -1.02 -0.29 0.00 0.00 0.00 0.00 53.44 52.22 2ukd n ALA 174 Cb 0.47 -0.40 -0.05 0.00 0.00 0.00 0.00 19.45 19.47 2ukd n ALA 174 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2ukd n ASN 175 N 0.48 6.65 -3.74 0.00 5.15 -1.26 -4.87 115.26 117.68 2ukd n ASN 175 Ca 0.10 -3.23 -0.14 0.00 -0.60 0.00 0.00 54.58 50.71 2ukd n ASN 175 Cb 0.38 -1.24 -0.07 0.00 -0.53 0.00 0.00 39.78 38.32 2ukd n ASN 175 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2ukd s ARG 176 N -1.77 1.56 0.44 1.20 0.52 -1.26 -5.12 118.95 114.51 2ukd s ARG 176 Ca 0.58 -1.70 -0.25 0.00 -0.52 0.00 0.00 55.73 53.84 2ukd s ARG 176 Cb 0.37 0.35 -0.09 0.00 0.52 0.00 0.00 34.95 36.10 2ukd s ARG 176 CO -0.22 -0.59 1.23 -3.47 0.02 0.00 0.00 175.30 172.27 2ukd n ASP 177 N -0.87 2.30 -0.30 0.23 2.03 -1.26 -4.76 116.55 113.91 2ukd n ASP 177 Ca 0.03 1.08 0.15 0.00 0.52 0.00 0.00 54.79 56.57 2ukd n ASP 177 Cb 0.63 -1.48 0.41 0.00 -0.72 0.00 0.00 41.12 39.96 2ukd n ASP 177 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2ukd h VAL 178 N 1.90 0.72 0.00 5.18 2.07 -2.00 -0.48 116.25 123.65 2ukd h VAL 178 Ca -0.47 -0.21 -0.18 0.00 0.82 0.00 0.00 66.70 66.65 2ukd h VAL 178 Cb 1.30 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2ukd h VAL 178 CO 0.59 0.11 -0.83 0.78 0.02 0.00 0.00 177.57 178.24 2ukd h ASN 179 N 0.61 0.10 -0.54 0.57 2.35 -1.98 -1.75 115.58 114.93 2ukd h ASN 179 Ca 0.51 -0.08 -0.12 0.00 -0.55 0.00 0.00 56.30 56.07 2ukd h ASN 179 Cb 0.97 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.30 2ukd h ASN 179 CO -0.26 0.88 -0.12 -0.33 -1.65 0.00 0.00 177.43 175.95 2ukd h GLU 180 N 0.04 1.03 -0.43 0.81 5.08 -1.48 -0.78 114.58 118.86 2ukd h GLU 180 Ca -0.02 -0.39 -0.09 0.00 -1.00 0.00 0.00 59.36 57.86 2ukd h GLU 180 Cb 1.46 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 2ukd h GLU 180 CO 0.12 1.08 -0.07 0.28 -1.00 0.00 0.00 179.01 179.41 2ukd h VAL 181 N 0.91 1.27 -0.49 3.13 2.07 -1.24 -3.12 116.25 118.79 2ukd h VAL 181 Ca 0.14 -1.16 -0.06 0.00 0.82 0.00 0.00 66.70 66.43 2ukd h VAL 181 Cb 0.70 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2ukd h VAL 181 CO 0.05 0.39 0.05 0.22 0.02 0.00 0.00 177.57 178.31 2ukd h TYR 182 N 0.63 0.81 -0.66 1.57 3.20 -1.24 -2.27 116.97 119.01 2ukd h TYR 182 Ca 0.11 -0.09 0.14 0.00 3.14 0.00 0.00 58.73 62.03 2ukd h TYR 182 Cb 0.60 -0.23 -0.11 0.00 1.54 0.00 0.00 36.73 38.53 2ukd h TYR 182 CO 0.05 0.73 0.07 -0.91 -1.64 0.00 0.00 178.16 176.46 2ukd h ASN 183 N 0.74 -0.16 -0.27 -2.11 4.21 -1.07 0.15 115.58 117.07 2ukd h ASN 183 Ca 0.15 0.15 -0.19 0.00 1.21 0.00 0.00 56.30 57.63 2ukd h ASN 183 Cb 0.37 0.24 0.00 0.00 -1.12 0.00 0.00 38.32 37.81 2ukd h ASN 183 CO 0.01 -0.08 -0.57 0.44 -1.29 0.00 0.00 177.43 175.94 2ukd h ASP 184 N 0.18 0.96 -0.29 5.81 3.32 -1.48 -1.92 116.42 123.00 2ukd h ASP 184 Ca 0.36 -0.55 0.02 0.00 0.02 0.00 0.00 57.03 56.88 2ukd h ASP 184 Cb 0.59 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 2ukd h ASP 184 CO -0.52 1.33 0.15 0.58 -1.72 0.00 0.00 179.24 179.07 2ukd h VAL 185 N 0.63 1.01 -0.36 -1.35 2.07 -0.83 -1.35 116.25 116.07 2ukd h VAL 185 Ca 0.00 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 2ukd h VAL 185 Cb 1.18 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 2ukd h VAL 185 CO 0.13 0.06 0.19 -0.08 0.02 0.00 0.00 177.57 177.89 2ukd h GLU 186 N 0.32 0.50 -0.95 1.57 4.81 -0.72 -1.19 114.58 118.92 2ukd h GLU 186 Ca 0.12 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.35 2ukd h GLU 186 Cb 0.02 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.24 2ukd h GLU 186 CO -0.07 0.42 0.61 -0.91 -0.73 0.00 0.00 179.01 178.34 2ukd h ASN 187 N 0.45 0.96 -0.26 1.04 2.35 -1.27 -1.01 115.58 117.83 2ukd h ASN 187 Ca 0.13 0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.79 2ukd h ASN 187 Cb 0.07 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 2ukd h ASN 187 CO -0.02 0.61 -0.20 0.25 -1.65 0.00 0.00 177.43 176.42 2ukd h LEU 188 N 1.09 0.64 -0.68 1.61 5.85 -0.37 -1.01 115.31 122.44 2ukd h LEU 188 Ca 0.41 -0.45 -0.13 0.00 0.84 0.00 0.00 57.88 58.55 2ukd h LEU 188 Cb 0.19 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2ukd h LEU 188 CO -0.16 0.95 -0.41 -0.26 -0.34 0.00 0.00 178.44 178.22 2ukd h PHE 189 N 0.33 0.66 -0.46 1.25 -1.00 -0.96 -1.30 116.94 115.46 2ukd h PHE 189 Ca 0.05 -0.19 -0.03 0.00 2.81 0.00 0.00 57.97 60.61 2ukd h PHE 189 Cb 0.75 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 40.15 2ukd h PHE 189 CO 0.07 0.87 0.16 0.87 -1.61 0.00 0.00 178.31 178.68 2ukd h LYS 190 N 0.45 0.70 0.00 1.51 1.57 -1.12 -1.70 116.57 117.98 2ukd h LYS 190 Ca 0.04 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 2ukd h LYS 190 Cb 0.91 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 2ukd h LYS 190 CO 0.08 0.65 -0.23 0.66 -0.57 0.00 0.00 179.45 180.04 2ukd h SER 191 N 0.60 0.00 0.31 0.86 4.64 -0.87 -0.74 113.55 118.34 2ukd h SER 191 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2ukd h SER 191 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2ukd h SER 191 CO -0.01 0.23 -0.03 0.23 -0.87 0.00 0.00 176.83 176.38 2ukd n MET 192 N -3.77 0.74 -0.55 4.77 2.81 -0.52 -4.90 117.12 115.70 2ukd n MET 192 Ca -0.01 -0.13 0.00 0.00 -1.81 0.00 0.00 57.70 55.75 2ukd n MET 192 Cb 0.34 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 2ukd n MET 192 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ukd n GLY 193 N 1.19 0.96 0.80 3.03 0.00 -0.28 -5.08 105.19 105.82 2ukd n GLY 193 Ca 0.17 -0.41 0.10 0.00 0.00 0.00 0.00 46.02 45.88 2ukd n GLY 193 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01