#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5ukd s GLU 2 N 0.00 3.38 0.09 2.12 0.41 -1.26 -5.02 118.70 118.42 5ukd s GLU 2 Ca 0.00 2.03 -0.31 0.00 -0.41 0.00 0.00 54.97 56.28 5ukd s GLU 2 Cb 0.00 -2.30 -0.06 0.00 -1.78 0.00 0.00 34.13 29.99 5ukd s GLU 2 CO 0.00 -0.93 1.22 0.15 -0.49 0.00 0.00 175.26 175.21 5ukd s LYS 3 N -2.84 4.43 0.49 1.61 3.01 -1.26 -5.03 119.74 120.15 5ukd s LYS 3 Ca 0.69 1.82 -0.22 0.00 -1.01 0.00 0.00 55.97 57.25 5ukd s LYS 3 Cb -0.35 -3.32 -0.07 0.00 -1.01 0.00 0.00 37.83 33.09 5ukd s LYS 3 CO 0.42 -0.25 1.17 -1.12 0.51 0.00 0.00 175.35 176.08 5ukd s SER 4 N 0.91 5.96 0.48 2.83 0.01 -1.26 -5.01 113.70 117.63 5ukd s SER 4 Ca 0.58 2.32 -0.21 0.00 1.31 0.00 0.00 55.95 59.95 5ukd s SER 4 Cb -0.31 -2.60 -0.08 0.00 0.21 0.00 0.00 66.02 63.24 5ukd s SER 4 CO 0.30 -1.07 1.05 -1.59 0.41 0.00 0.00 173.24 172.35 5ukd s LYS 5 N -2.87 3.77 0.46 12.44 -2.85 -1.26 -4.77 119.74 124.66 5ukd s LYS 5 Ca 0.67 1.42 -0.25 0.00 -1.00 0.00 0.00 55.97 56.81 5ukd s LYS 5 Cb -0.28 -2.13 -0.08 0.00 -2.06 0.00 0.00 37.83 33.28 5ukd s LYS 5 CO 0.34 -0.46 1.38 -1.25 0.10 0.00 0.00 175.35 175.45 5ukd s PRO 6 N -3.16 3.65 0.16 1.78 0.04 -1.26 -4.70 135.00 131.51 5ukd s PRO 6 Ca 0.67 2.30 -0.29 0.00 0.04 0.00 0.00 61.00 63.72 5ukd s PRO 6 Cb -0.18 -2.60 -0.07 0.00 0.04 0.00 0.00 34.50 31.69 5ukd s PRO 6 CO 0.22 -0.80 0.92 -0.80 0.04 0.00 0.00 177.00 176.57 5ukd s ASN 7 N -0.67 7.52 -0.05 6.66 0.02 -1.26 -0.88 114.94 126.27 5ukd s ASN 7 Ca 0.62 1.80 0.05 0.00 -1.02 0.00 0.00 52.86 54.31 5ukd s ASN 7 Cb -0.41 -2.58 -0.00 0.00 0.02 0.00 0.00 41.25 38.28 5ukd s ASN 7 CO 0.52 0.05 -0.19 -0.69 0.02 0.00 0.00 177.10 176.81 5ukd s VAL 8 N -0.53 1.61 -0.19 1.60 1.01 -0.25 -1.23 120.40 122.42 5ukd s VAL 8 Ca 0.43 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.61 5ukd s VAL 8 Cb -0.24 -1.38 0.03 0.00 0.00 0.00 0.00 36.38 34.79 5ukd s VAL 8 CO 0.30 0.46 -0.16 -0.69 0.00 0.00 0.00 175.10 175.00 5ukd s VAL 9 N 0.06 1.92 0.16 2.92 1.01 -0.60 -0.49 120.40 125.37 5ukd s VAL 9 Ca -0.06 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.62 5ukd s VAL 9 Cb -0.13 -1.83 -0.07 0.00 0.00 0.00 0.00 36.38 34.35 5ukd s VAL 9 CO 0.03 0.38 1.19 -0.36 0.00 0.00 0.00 175.10 176.34 5ukd s PHE 10 N 1.31 3.45 -0.26 5.22 0.08 -0.99 -0.54 117.98 126.25 5ukd s PHE 10 Ca 0.02 1.42 0.00 0.00 0.12 0.00 0.00 56.93 58.49 5ukd s PHE 10 Cb -0.15 -3.41 0.04 0.00 -0.57 0.00 0.00 43.02 38.94 5ukd s PHE 10 CO -0.11 -1.15 -0.08 0.08 -0.10 0.00 0.00 175.22 173.87 5ukd s VAL 11 N 0.18 2.55 0.37 -0.44 1.01 0.61 0.28 120.40 124.97 5ukd s VAL 11 Ca 0.54 -1.35 0.04 0.00 0.00 0.00 0.00 61.98 61.21 5ukd s VAL 11 Cb -0.31 -2.40 -0.06 0.00 0.00 0.00 0.00 36.38 33.61 5ukd s VAL 11 CO 0.35 0.07 0.05 -0.76 0.00 0.00 0.00 175.10 174.80 5ukd s LEU 12 N 1.22 2.31 0.00 3.92 1.43 0.30 -0.38 118.68 127.48 5ukd s LEU 12 Ca -0.04 -1.44 0.00 0.00 -1.03 0.00 0.00 54.13 51.61 5ukd s LEU 12 Cb -0.18 -0.49 0.00 0.00 0.03 0.00 0.00 46.19 45.55 5ukd s LEU 12 CO -0.05 -0.64 0.00 0.61 0.23 0.00 0.00 176.35 176.50 5ukd n GLY 13 N -0.83 4.07 3.51 -3.19 0.00 -1.26 -1.17 105.19 106.32 5ukd n GLY 13 Ca -0.05 -1.29 -0.28 0.00 0.00 0.00 0.00 46.02 44.40 5ukd n GLY 13 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 5ukd s GLY 14 N 0.00 1.53 0.05 -0.02 0.00 -1.26 -4.87 107.32 102.75 5ukd s GLY 14 Ca 0.00 -0.27 -0.30 0.00 0.00 0.00 0.00 44.72 44.15 5ukd s GLY 14 CO 0.00 0.47 1.87 2.56 0.00 0.00 0.00 173.10 177.99 5ukd s PRO 15 N -4.61 4.15 0.00 2.90 0.04 -1.26 -2.09 135.00 134.13 5ukd s PRO 15 Ca 0.68 2.54 0.00 0.00 0.04 0.00 0.00 61.00 64.26 5ukd s PRO 15 Cb -0.23 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.37 5ukd s PRO 15 CO 0.63 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 177.18 5ukd n GLY 16 N 4.37 0.64 0.10 0.56 0.00 -1.26 -4.74 105.19 104.86 5ukd n GLY 16 Ca 0.19 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.16 5ukd n GLY 16 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 5ukd n SER 17 N 0.31 0.62 0.00 1.61 3.41 -0.89 -4.73 113.62 113.94 5ukd n SER 17 Ca 0.00 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 5ukd n SER 17 Cb 0.00 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 5ukd n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 5ukd n GLY 18 N 0.75 1.65 0.11 5.00 0.00 -1.26 -4.90 105.19 106.53 5ukd n GLY 18 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 5ukd n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 5ukd h LYS 19 N 0.00 -0.17 -0.74 1.61 1.57 -1.90 -1.21 116.57 115.73 5ukd h LYS 19 Ca 0.00 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 5ukd h LYS 19 Cb 0.00 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 5ukd h LYS 19 CO 0.00 0.07 0.22 0.78 -0.57 0.00 0.00 179.45 179.95 5ukd h GLY 20 N -0.39 1.25 0.95 3.86 0.00 -1.98 -0.37 103.07 106.39 5ukd h GLY 20 Ca -0.02 -0.75 -0.00 0.00 0.00 0.00 0.00 47.33 46.56 5ukd h GLY 20 CO 0.03 0.70 0.10 -0.84 0.00 0.00 0.00 176.54 176.53 5ukd h THR 21 N 1.11 1.10 -0.08 4.70 2.02 -1.97 -2.35 112.91 117.44 5ukd h THR 21 Ca 0.24 -0.27 -0.17 0.00 0.77 0.00 0.00 66.41 66.98 5ukd h THR 21 Cb 0.33 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 5ukd h THR 21 CO -0.01 0.09 -0.70 1.56 0.37 0.00 0.00 175.52 176.84 5ukd h GLN 22 N 0.20 0.38 -0.65 6.66 1.08 -1.10 -3.12 115.11 118.55 5ukd h GLN 22 Ca 0.06 -0.29 -0.00 0.00 -1.45 0.00 0.00 58.65 56.97 5ukd h GLN 22 Cb 0.06 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.52 5ukd h GLN 22 CO -0.01 0.93 0.40 0.00 -0.95 0.00 0.00 178.83 179.20 5ukd h ALA 24 N 1.54 1.23 -0.59 0.00 0.00 -1.36 -0.17 119.26 119.91 5ukd h ALA 24 Ca 0.24 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 5ukd h ALA 24 Cb -0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 5ukd h ALA 24 CO -0.05 0.55 -0.02 -0.91 0.00 0.00 0.00 179.25 178.83 5ukd h ASN 25 N 0.86 1.04 -0.37 0.00 2.35 -1.42 -1.33 115.58 116.71 5ukd h ASN 25 Ca 0.20 -0.31 -0.06 0.00 -0.55 0.00 0.00 56.30 55.58 5ukd h ASN 25 Cb 0.24 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 5ukd h ASN 25 CO -0.01 1.10 0.01 0.40 -1.65 0.00 0.00 177.43 177.28 5ukd h ILE 26 N 0.95 1.26 -0.54 2.81 2.04 -0.84 -1.01 117.51 122.18 5ukd h ILE 26 Ca 0.17 -0.97 0.09 0.00 1.00 0.00 0.00 64.86 65.15 5ukd h ILE 26 Cb 0.58 1.15 -0.07 0.00 -0.74 0.00 0.00 36.82 37.74 5ukd h ILE 26 CO 0.03 0.32 0.13 0.58 0.00 0.00 0.00 178.15 179.22 5ukd h VAL 27 N 0.47 0.71 -0.19 1.67 2.07 -0.94 0.15 116.25 120.19 5ukd h VAL 27 Ca 0.11 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 5ukd h VAL 27 Cb 0.45 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 5ukd h VAL 27 CO 0.02 0.05 0.08 -0.09 0.02 0.00 0.00 177.57 177.65 5ukd h ARG 28 N 0.27 0.29 0.00 1.57 2.43 -0.87 -0.28 114.38 117.79 5ukd h ARG 28 Ca 0.27 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 5ukd h ARG 28 Cb 0.37 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 5ukd h ARG 28 CO -0.34 0.35 -0.91 -0.25 -1.51 0.00 0.00 179.97 177.31 5ukd n ASP 29 N -4.84 0.63 0.00 -3.80 8.00 -0.42 -4.38 116.55 111.75 5ukd n ASP 29 Ca -0.04 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.32 5ukd n ASP 29 Cb 0.12 0.62 0.00 0.00 -0.02 0.00 0.00 41.12 41.84 5ukd n ASP 29 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 5ukd n PHE 30 N -1.98 0.00 -1.47 1.24 3.01 0.50 -5.04 117.46 113.73 5ukd n PHE 30 Ca 0.02 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.40 5ukd n PHE 30 Cb 0.43 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.88 5ukd n PHE 30 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 5ukd n GLY 31 N 1.26 0.75 3.83 1.37 0.00 -0.12 -4.99 105.19 107.30 5ukd n GLY 31 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 5ukd n GLY 31 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 5ukd s TRP 32 N -2.32 3.12 -0.24 1.61 0.52 -1.26 -4.73 118.94 115.65 5ukd s TRP 32 Ca 0.00 1.25 -0.10 0.00 0.02 0.00 0.00 56.10 57.26 5ukd s TRP 32 Cb 0.00 -2.97 -0.05 0.00 -1.15 0.00 0.00 33.47 29.30 5ukd s TRP 32 CO 0.00 -1.34 0.16 0.08 0.02 0.00 0.00 176.95 175.87 5ukd s VAL 33 N -3.15 5.37 -0.34 4.03 1.01 0.90 -4.48 120.40 123.72 5ukd s VAL 33 Ca 0.59 0.18 -0.19 0.00 0.00 0.00 0.00 61.98 62.56 5ukd s VAL 33 Cb -0.13 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.75 5ukd s VAL 33 CO 0.54 0.36 0.56 -2.28 0.00 0.00 0.00 175.10 174.28 5ukd s HIS 34 N 0.97 3.18 -0.43 5.22 2.46 -1.26 -0.57 115.29 124.87 5ukd s HIS 34 Ca 0.08 0.28 -0.04 0.00 0.47 0.00 0.00 55.06 55.85 5ukd s HIS 34 Cb -0.13 -2.98 0.11 0.00 -0.13 0.00 0.00 32.58 29.45 5ukd s HIS 34 CO 0.04 -0.55 0.23 -0.51 -2.47 0.00 0.00 174.74 171.48 5ukd s LEU 35 N 2.50 5.30 -0.51 8.88 1.43 0.88 -4.96 118.68 132.20 5ukd s LEU 35 Ca 0.21 -2.06 -0.26 0.00 -1.03 0.00 0.00 54.13 50.98 5ukd s LEU 35 Cb -0.15 -1.85 0.03 0.00 0.03 0.00 0.00 46.19 44.25 5ukd s LEU 35 CO 0.13 -0.55 1.01 -0.55 0.23 0.00 0.00 176.35 176.62 5ukd s SER 36 N 1.86 6.46 0.27 2.29 0.15 -1.26 -0.38 113.70 123.08 5ukd s SER 36 Ca 0.08 0.03 -0.00 0.00 0.70 0.00 0.00 55.95 56.77 5ukd s SER 36 Cb -0.23 -2.48 0.56 0.00 -1.71 0.00 0.00 66.02 62.16 5ukd s SER 36 CO -0.04 -1.21 1.77 0.00 1.20 0.00 0.00 173.24 174.96 5ukd h ALA 37 N 9.25 1.34 -0.64 5.45 0.00 -1.64 -0.50 119.26 132.53 5ukd h ALA 37 Ca -0.25 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 5ukd h ALA 37 Cb 1.07 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 5ukd h ALA 37 CO 1.09 -0.06 0.28 0.78 0.00 0.00 0.00 179.25 181.34 5ukd h GLY 38 N 0.67 1.00 0.64 0.00 0.00 -1.86 -0.55 103.07 102.97 5ukd h GLY 38 Ca 0.48 -0.53 0.04 0.00 0.00 0.00 0.00 47.33 47.32 5ukd h GLY 38 CO -0.35 0.50 0.01 -0.55 0.00 0.00 0.00 176.54 176.14 5ukd h ASP 39 N 0.89 -0.08 -0.91 0.19 5.19 -1.72 -0.14 116.42 119.83 5ukd h ASP 39 Ca 0.22 0.05 0.01 0.00 -0.62 0.00 0.00 57.03 56.68 5ukd h ASP 39 Cb 0.17 0.09 -0.05 0.00 0.18 0.00 0.00 39.33 39.72 5ukd h ASP 39 CO -0.02 -0.01 0.60 -0.07 -3.12 0.00 0.00 179.24 176.62 5ukd h LEU 40 N 0.08 1.05 -0.65 1.55 3.38 -0.76 -0.56 115.31 119.40 5ukd h LEU 40 Ca 0.11 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 5ukd h LEU 40 Cb 0.14 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 5ukd h LEU 40 CO -0.19 0.77 0.12 -0.07 0.09 0.00 0.00 178.44 179.16 5ukd h LEU 41 N 1.24 1.02 -1.19 1.67 3.38 -0.78 0.94 115.31 121.59 5ukd h LEU 41 Ca 0.33 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 5ukd h LEU 41 Cb -0.14 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.33 5ukd h LEU 41 CO -0.07 1.01 -0.10 0.03 0.09 0.00 0.00 178.44 179.40 5ukd h ARG 42 N 0.99 0.44 -0.26 1.13 3.08 -0.73 -2.07 114.38 116.96 5ukd h ARG 42 Ca 0.20 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 5ukd h ARG 42 Cb 0.41 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 5ukd h ARG 42 CO 0.01 0.55 -0.08 1.96 -1.07 0.00 0.00 179.97 181.34 5ukd h GLN 43 N 0.42 0.51 -0.59 0.04 4.20 -0.49 -1.28 115.11 117.91 5ukd h GLN 43 Ca 0.08 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 5ukd h GLN 43 Cb 0.43 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 5ukd h GLN 43 CO 0.02 0.74 0.33 1.49 -0.67 0.00 0.00 178.83 180.74 5ukd h GLU 44 N 0.25 0.81 0.04 1.46 4.57 -0.38 -1.59 114.58 119.74 5ukd h GLU 44 Ca 0.06 -0.08 -0.22 0.00 -1.18 0.00 0.00 59.36 57.94 5ukd h GLU 44 Cb 0.56 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 5ukd h GLU 44 CO 0.03 0.59 -1.00 -0.56 -1.18 0.00 0.00 179.01 176.89 5ukd h GLN 45 N 0.82 0.17 0.00 1.92 3.07 -1.36 -3.35 115.11 116.38 5ukd h GLN 45 Ca 0.21 -0.23 0.00 0.00 0.09 0.00 0.00 58.65 58.72 5ukd h GLN 45 Cb 0.01 0.08 0.00 0.00 0.08 0.00 0.00 27.48 27.65 5ukd h GLN 45 CO -0.04 1.03 0.00 0.94 0.09 0.00 0.00 178.83 180.85 5ukd n GLN 46 N -3.55 0.00 -2.74 0.06 7.27 -0.49 -3.80 117.38 114.13 5ukd n GLN 46 Ca -0.04 0.31 -0.43 0.00 0.07 0.00 0.00 57.00 56.91 5ukd n GLN 46 Cb 0.89 -0.74 -0.03 0.00 2.41 0.00 0.00 30.24 32.78 5ukd n GLN 46 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 5ukd s SER 47 N -2.58 6.77 -1.06 1.69 0.15 -1.21 -4.87 113.70 112.59 5ukd s SER 47 Ca 0.00 0.76 -0.23 0.00 0.70 0.00 0.00 55.95 57.19 5ukd s SER 47 Cb 0.00 -2.49 -0.02 0.00 -1.71 0.00 0.00 66.02 61.80 5ukd s SER 47 CO 0.00 -0.87 1.80 -0.83 1.20 0.00 0.00 173.24 174.54 5ukd s GLY 48 N 1.80 0.64 0.89 9.45 0.00 -1.25 -4.94 107.32 113.92 5ukd s GLY 48 Ca 0.41 -2.06 -0.11 0.00 0.00 0.00 0.00 44.72 42.96 5ukd s GLY 48 CO 0.18 3.21 1.10 -1.35 0.00 0.00 0.00 173.10 176.24 5ukd s SER 49 N 6.38 3.39 0.00 1.64 1.04 -1.25 -4.89 113.70 120.01 5ukd s SER 49 Ca 0.62 1.77 0.00 0.00 0.48 0.00 0.00 55.95 58.81 5ukd s SER 49 Cb -0.02 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.71 5ukd s SER 49 CO 0.02 -2.73 0.13 0.29 0.98 0.00 0.00 173.24 171.93 5ukd n LYS 50 N -3.97 0.00 0.00 4.02 5.02 -1.26 -1.40 118.16 120.58 5ukd n LYS 50 Ca 0.08 0.13 0.07 0.00 -2.02 0.00 0.00 58.31 56.57 5ukd n LYS 50 Cb 0.54 -0.19 0.39 0.00 -0.02 0.00 0.00 35.03 35.75 5ukd n LYS 50 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 5ukd n ASP 51 N -2.07 0.00 -0.06 4.39 8.00 -1.26 -4.09 116.55 121.46 5ukd n ASP 51 Ca 0.00 -0.55 -0.12 0.00 0.71 0.00 0.00 54.79 54.83 5ukd n ASP 51 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 5ukd n ASP 51 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 5ukd h GLY 52 N 2.46 0.40 1.93 0.44 0.00 -1.51 -0.95 103.07 105.85 5ukd h GLY 52 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.98 5ukd h GLY 52 CO 0.00 0.32 -0.06 0.83 0.00 0.00 0.00 176.54 177.63 5ukd h GLU 53 N 0.06 0.00 -0.06 4.80 4.39 -1.76 -2.27 114.58 119.74 5ukd h GLU 53 Ca 0.04 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 5ukd h GLU 53 Cb 0.54 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 5ukd h GLU 53 CO 0.02 0.00 -0.00 1.98 -1.16 0.00 0.00 179.01 179.85 5ukd h MET 54 N 0.00 0.11 -0.85 2.33 1.85 -1.69 -2.86 114.93 113.83 5ukd h MET 54 Ca 0.00 -0.04 0.04 0.00 -0.61 0.00 0.00 59.70 59.10 5ukd h MET 54 Cb 0.84 -0.01 -0.06 0.00 0.43 0.00 0.00 31.60 32.81 5ukd h MET 54 CO 0.00 0.40 0.54 0.82 -0.40 0.00 0.00 176.91 178.27 5ukd h ILE 55 N -0.18 1.10 -0.41 1.77 2.04 -1.06 -2.00 117.51 118.77 5ukd h ILE 55 Ca 0.02 -0.35 0.05 0.00 1.00 0.00 0.00 64.86 65.58 5ukd h ILE 55 Cb 0.35 -0.02 -0.05 0.00 -0.74 0.00 0.00 36.82 36.36 5ukd h ILE 55 CO 0.00 0.19 0.14 0.00 0.00 0.00 0.00 178.15 178.48 5ukd h ALA 56 N 1.37 0.48 -0.33 1.87 0.00 -1.34 -0.84 119.26 120.47 5ukd h ALA 56 Ca 0.35 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.23 5ukd h ALA 56 Cb 0.07 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 5ukd h ALA 56 CO -0.14 -0.25 -0.14 1.15 0.00 0.00 0.00 179.25 179.87 5ukd h THR 57 N 0.30 1.29 -0.43 0.00 2.02 -1.24 -1.80 112.91 113.05 5ukd h THR 57 Ca 0.19 -1.24 -0.13 0.00 0.77 0.00 0.00 66.41 66.00 5ukd h THR 57 Cb 0.18 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 5ukd h THR 57 CO -0.20 0.40 -0.25 0.24 0.37 0.00 0.00 175.52 176.09 5ukd h MET 58 N 0.45 0.92 -0.39 6.66 2.07 -1.20 -2.62 114.93 120.82 5ukd h MET 58 Ca 0.08 -0.42 -0.02 0.00 -2.07 0.00 0.00 59.70 57.27 5ukd h MET 58 Cb 0.67 -0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 30.36 5ukd h MET 58 CO 0.04 1.08 0.17 0.82 1.07 0.00 0.00 176.91 180.09 5ukd h ILE 59 N 0.75 1.19 -0.04 -1.22 2.04 -1.01 0.19 117.51 119.40 5ukd h ILE 59 Ca 0.09 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.41 5ukd h ILE 59 Cb 0.82 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 5ukd h ILE 59 CO 0.07 0.20 0.03 0.50 0.00 0.00 0.00 178.15 178.95 5ukd h LYS 60 N 0.49 0.00 -0.05 2.37 1.63 -1.33 -1.92 116.57 117.77 5ukd h LYS 60 Ca 0.13 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 5ukd h LYS 60 Cb 0.16 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 5ukd h LYS 60 CO -0.01 0.00 0.00 0.09 -3.45 0.00 0.00 179.45 176.08 5ukd n ASN 61 N -4.53 2.59 -0.87 4.20 3.02 -0.67 -4.58 115.26 114.42 5ukd n ASN 61 Ca -0.02 -1.86 -0.10 0.00 -0.03 0.00 0.00 54.58 52.57 5ukd n ASN 61 Cb 0.13 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.25 5ukd n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 5ukd n GLY 62 N 1.31 0.72 3.88 7.41 0.00 -0.20 -4.68 105.19 113.63 5ukd n GLY 62 Ca 0.16 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 5ukd n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 5ukd s GLU 63 N -3.41 3.75 -0.23 1.61 2.02 -0.12 -4.62 118.70 117.70 5ukd s GLU 63 Ca 0.00 0.20 -0.26 0.00 0.02 0.00 0.00 54.97 54.93 5ukd s GLU 63 Cb 0.00 -2.64 -0.00 0.00 0.10 0.00 0.00 34.13 31.58 5ukd s GLU 63 CO 0.00 0.28 0.88 0.42 0.02 0.00 0.00 175.26 176.86 5ukd s ILE 64 N -1.91 4.81 0.52 -1.63 -1.09 -1.26 -4.44 121.20 116.20 5ukd s ILE 64 Ca 0.46 1.68 -0.23 0.00 -2.23 0.00 0.00 60.65 60.34 5ukd s ILE 64 Cb -0.11 -4.16 -0.06 0.00 -1.58 0.00 0.00 42.46 36.55 5ukd s ILE 64 CO 0.24 -0.09 1.34 0.52 -1.23 0.00 0.00 174.94 175.72 5ukd n VAL 65 N 5.21 3.48 -1.53 2.92 0.31 -1.26 -4.94 118.33 122.52 5ukd n VAL 65 Ca 0.07 -0.50 -0.56 0.00 -0.01 0.00 0.00 64.34 63.34 5ukd n VAL 65 Cb 0.47 -1.65 -0.07 0.00 -0.91 0.00 0.00 33.84 31.68 5ukd n VAL 65 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 5ukd n PRO 66 N -0.73 0.39 0.24 5.55 -0.02 -1.26 -4.86 135.00 134.30 5ukd n PRO 66 Ca 0.09 0.14 0.08 0.00 -2.02 0.00 0.00 63.50 61.79 5ukd n PRO 66 Cb 0.43 -1.67 0.58 0.00 -0.02 0.00 0.00 33.50 32.83 5ukd n PRO 66 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 5ukd h SER 67 N 3.41 0.00 -0.92 2.55 0.02 -1.92 -2.05 113.55 114.64 5ukd h SER 67 Ca -0.49 0.00 0.14 0.00 -0.84 0.00 0.00 61.79 60.60 5ukd h SER 67 Cb 1.40 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.86 5ukd h SER 67 CO 0.69 0.16 0.59 0.16 -1.14 0.00 0.00 176.83 177.29 5ukd h ILE 68 N 0.00 0.85 0.44 3.27 3.07 -1.96 -0.11 117.51 123.06 5ukd h ILE 68 Ca -0.00 -0.26 -0.02 0.00 1.55 0.00 0.00 64.86 66.12 5ukd h ILE 68 Cb 0.31 0.01 0.00 0.00 -0.27 0.00 0.00 36.82 36.88 5ukd h ILE 68 CO 0.02 0.14 -0.21 0.58 -1.05 0.00 0.00 178.15 177.63 5ukd h VAL 69 N 0.77 0.12 -0.15 0.16 2.07 -1.73 -3.11 116.25 114.38 5ukd h VAL 69 Ca 0.47 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 67.40 5ukd h VAL 69 Cb 0.67 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 5ukd h VAL 69 CO -0.23 0.03 0.09 0.74 0.02 0.00 0.00 177.57 178.22 5ukd h THR 70 N -1.12 1.02 -0.14 2.57 2.02 -1.50 -1.99 112.91 113.77 5ukd h THR 70 Ca -0.06 -0.06 -0.07 0.00 0.77 0.00 0.00 66.41 66.99 5ukd h THR 70 Cb 0.50 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 5ukd h THR 70 CO 0.10 0.03 -0.21 0.58 0.37 0.00 0.00 175.52 176.39 5ukd h VAL 71 N 0.19 1.22 -0.46 3.16 2.07 -1.20 -1.06 116.25 120.17 5ukd h VAL 71 Ca 0.06 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.54 5ukd h VAL 71 Cb -0.01 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 5ukd h VAL 71 CO -0.03 0.31 0.18 0.50 0.02 0.00 0.00 177.57 178.56 5ukd h LYS 72 N 0.23 0.68 -0.57 1.57 3.64 -1.34 0.05 116.57 120.83 5ukd h LYS 72 Ca 0.04 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 5ukd h LYS 72 Cb 0.51 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 5ukd h LYS 72 CO 0.03 0.62 0.21 -0.07 -2.27 0.00 0.00 179.45 177.97 5ukd h LEU 73 N 0.60 0.80 -0.49 5.20 3.38 -0.84 -0.30 115.31 123.66 5ukd h LEU 73 Ca 0.15 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 5ukd h LEU 73 Cb 0.19 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 5ukd h LEU 73 CO -0.01 0.77 0.20 -0.07 0.09 0.00 0.00 178.44 179.42 5ukd h LEU 74 N 0.79 0.67 -0.50 1.67 3.38 -1.09 -2.40 115.31 117.82 5ukd h LEU 74 Ca 0.19 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 5ukd h LEU 74 Cb 0.24 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 5ukd h LEU 74 CO -0.01 0.65 -0.21 0.50 0.09 0.00 0.00 178.44 179.46 5ukd h LYS 75 N 0.65 1.01 -0.23 1.13 3.64 -0.72 -1.15 116.57 120.89 5ukd h LYS 75 Ca 0.16 -0.43 -0.00 0.00 -1.27 0.00 0.00 60.65 59.12 5ukd h LYS 75 Cb 0.19 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 5ukd h LYS 75 CO -0.01 1.11 0.14 -0.91 -2.27 0.00 0.00 179.45 177.50 5ukd h ASN 76 N 0.87 0.28 -0.76 4.20 2.35 -1.00 -0.52 115.58 121.00 5ukd h ASN 76 Ca 0.11 -0.05 0.02 0.00 -0.55 0.00 0.00 56.30 55.83 5ukd h ASN 76 Cb 0.79 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 39.05 5ukd h ASN 76 CO 0.07 0.25 0.50 0.00 -1.65 0.00 0.00 177.43 176.59 5ukd h ALA 77 N 1.04 0.98 -0.34 -0.83 0.00 -1.21 -2.05 119.26 116.85 5ukd h ALA 77 Ca 0.08 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 5ukd h ALA 77 Cb 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 5ukd h ALA 77 CO -0.02 0.34 -0.03 0.82 0.00 0.00 0.00 179.25 180.37 5ukd h ILE 78 N 1.00 1.27 0.00 0.00 2.04 -0.92 -2.72 117.51 118.17 5ukd h ILE 78 Ca 0.29 -1.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 5ukd h ILE 78 Cb -0.07 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 5ukd h ILE 78 CO -0.08 0.34 -0.11 0.44 0.00 0.00 0.00 178.15 178.74 5ukd h ASP 79 N 0.41 0.00 0.61 1.72 3.32 -0.90 -1.54 116.42 120.03 5ukd h ASP 79 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 5ukd h ASP 79 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 5ukd h ASP 79 CO 0.02 0.11 -0.02 0.00 -1.72 0.00 0.00 179.24 177.63 5ukd n ALA 80 N -2.23 2.51 -2.92 3.45 0.00 -0.79 -4.25 120.51 116.29 5ukd n ALA 80 Ca -0.01 -0.15 -0.21 0.00 0.00 0.00 0.00 53.44 53.06 5ukd n ALA 80 Cb 0.26 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 5ukd n ALA 80 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 5ukd n ASN 81 N -1.29 2.80 -4.68 0.00 3.02 -0.58 -5.09 115.26 109.44 5ukd n ASN 81 Ca 0.13 -3.31 -0.42 0.00 -0.03 0.00 0.00 54.58 50.94 5ukd n ASN 81 Cb 0.26 -0.56 -0.00 0.00 -0.61 0.00 0.00 39.78 38.87 5ukd n ASN 81 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 5ukd n GLN 82 N -0.07 1.98 -0.95 3.52 1.13 -1.26 -2.70 117.38 119.04 5ukd n GLN 82 Ca 0.27 0.70 0.00 0.00 -1.94 0.00 0.00 57.00 56.03 5ukd n GLN 82 Cb 0.59 -2.28 0.00 0.00 0.11 0.00 0.00 30.24 28.66 5ukd n GLN 82 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 5ukd n GLY 83 N 0.84 0.68 3.75 1.08 0.00 -1.26 -5.03 105.19 105.24 5ukd n GLY 83 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 5ukd n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 5ukd s LYS 84 N -0.05 2.63 0.24 1.61 -0.14 -1.10 -5.07 119.74 117.86 5ukd s LYS 84 Ca 0.00 -1.25 0.06 0.00 -1.36 0.00 0.00 55.97 53.42 5ukd s LYS 84 Cb 0.00 -2.37 -0.03 0.00 -1.68 0.00 0.00 37.83 33.74 5ukd s LYS 84 CO 0.00 0.34 0.24 -0.80 -0.76 0.00 0.00 175.35 174.37 5ukd s ASN 85 N -3.79 5.77 -0.04 2.83 0.01 -1.26 -4.41 114.94 114.04 5ukd s ASN 85 Ca 0.33 -0.15 0.02 0.00 -0.71 0.00 0.00 52.86 52.36 5ukd s ASN 85 Cb -0.07 -1.55 0.01 0.00 0.41 0.00 0.00 41.25 40.05 5ukd s ASN 85 CO 0.23 -0.04 -0.10 -0.36 -1.51 0.00 0.00 177.10 175.32 5ukd s PHE 86 N -2.07 1.10 -0.46 2.20 0.08 -0.37 -0.07 117.98 118.40 5ukd s PHE 86 Ca 0.33 -0.33 -0.19 0.00 0.12 0.00 0.00 56.93 56.86 5ukd s PHE 86 Cb -0.08 -0.82 0.04 0.00 -0.57 0.00 0.00 43.02 41.59 5ukd s PHE 86 CO 0.26 -0.17 0.55 -0.51 -0.10 0.00 0.00 175.22 175.25 5ukd s LEU 87 N 0.46 4.86 -0.55 -0.37 1.43 0.27 -1.56 118.68 123.22 5ukd s LEU 87 Ca -0.08 -0.73 -0.18 0.00 -1.03 0.00 0.00 54.13 52.11 5ukd s LEU 87 Cb -0.12 -2.48 0.09 0.00 0.03 0.00 0.00 46.19 43.71 5ukd s LEU 87 CO 0.01 -0.75 0.63 -0.69 0.23 0.00 0.00 176.35 175.78 5ukd s VAL 88 N 2.46 4.92 -0.26 -1.59 1.01 0.29 -0.09 120.40 127.14 5ukd s VAL 88 Ca 0.15 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 61.08 5ukd s VAL 88 Cb -0.18 -4.38 -0.04 0.00 0.00 0.00 0.00 36.38 31.79 5ukd s VAL 88 CO 0.14 -0.95 0.37 -0.62 0.00 0.00 0.00 175.10 174.04 5ukd s ASP 89 N 3.24 6.26 0.00 3.32 -1.08 0.49 -0.28 116.67 128.61 5ukd s ASP 89 Ca 0.11 0.30 0.00 0.00 -0.52 0.00 0.00 52.55 52.44 5ukd s ASP 89 Cb -0.23 -2.21 0.00 0.00 -1.46 0.00 0.00 42.92 39.02 5ukd s ASP 89 CO 0.08 -0.16 0.00 0.61 0.52 0.00 0.00 175.17 176.21 5ukd n GLY 90 N 4.61 0.42 3.40 2.66 0.00 0.49 -1.71 105.19 115.05 5ukd n GLY 90 Ca -0.09 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 5ukd n GLY 90 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 5ukd s PHE 91 N -2.00 -0.55 0.22 1.61 2.19 -1.26 -4.46 117.98 113.73 5ukd s PHE 91 Ca 0.00 1.34 -0.26 0.00 0.33 0.00 0.00 56.93 58.34 5ukd s PHE 91 Cb 0.00 0.19 -0.09 0.00 -1.31 0.00 0.00 43.02 41.81 5ukd s PHE 91 CO 0.00 -0.26 0.84 -1.25 1.83 0.00 0.00 175.22 176.38 5ukd s PRO 92 N 0.27 4.62 0.00 10.12 0.04 -1.26 -4.32 135.00 144.48 5ukd s PRO 92 Ca -0.00 1.25 0.19 0.00 0.04 0.00 0.00 61.00 62.47 5ukd s PRO 92 Cb -0.03 -3.15 -0.14 0.00 0.04 0.00 0.00 34.50 31.21 5ukd s PRO 92 CO 0.01 0.49 0.84 0.54 0.04 0.00 0.00 177.00 178.91 5ukd n ARG 93 N 1.30 1.11 -3.90 4.56 1.74 -1.26 -4.94 116.66 115.26 5ukd n ARG 93 Ca -0.03 -0.27 -0.11 0.00 -0.77 0.00 0.00 57.85 56.67 5ukd n ARG 93 Cb 0.49 -1.37 0.01 0.00 -1.02 0.00 0.00 32.46 30.56 5ukd n ARG 93 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 5ukd s ASN 94 N -2.57 0.38 0.22 0.55 2.20 -1.26 -2.33 114.94 112.13 5ukd s ASN 94 Ca 0.10 -1.32 -0.08 0.00 -0.94 0.00 0.00 52.86 50.61 5ukd s ASN 94 Cb 0.14 0.80 0.18 0.00 -2.00 0.00 0.00 41.25 40.37 5ukd s ASN 94 CO 0.67 -1.59 1.85 -0.08 -2.94 0.00 0.00 177.10 175.01 5ukd h GLU 95 N 2.02 1.14 -0.38 3.55 4.81 -1.95 -2.21 114.58 121.57 5ukd h GLU 95 Ca -0.32 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 5ukd h GLU 95 Cb 1.25 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 5ukd h GLU 95 CO 0.41 0.82 0.25 1.49 -0.73 0.00 0.00 179.01 181.25 5ukd h GLU 96 N 1.14 0.49 -0.34 1.92 4.81 -1.99 -0.34 114.58 120.28 5ukd h GLU 96 Ca 0.29 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.56 5ukd h GLU 96 Cb 0.00 -0.11 -0.09 0.00 0.63 0.00 0.00 28.75 29.18 5ukd h GLU 96 CO -0.05 0.33 -0.34 -0.91 -0.73 0.00 0.00 179.01 177.31 5ukd h ASN 97 N 0.51 -1.13 -0.34 1.04 -0.26 -1.87 -0.93 115.58 112.60 5ukd h ASN 97 Ca 0.14 0.19 0.00 0.00 -0.56 0.00 0.00 56.30 56.07 5ukd h ASN 97 Cb -0.06 0.51 -0.02 0.00 -1.06 0.00 0.00 38.32 37.70 5ukd h ASN 97 CO -0.03 -0.34 0.22 -1.13 -1.06 0.00 0.00 177.43 175.09 5ukd h ASN 98 N -0.30 0.39 -0.77 5.81 -1.24 -1.08 -0.65 115.58 117.75 5ukd h ASN 98 Ca 0.15 -0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.11 5ukd h ASN 98 Cb 0.55 -0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.47 5ukd h ASN 98 CO -0.51 0.30 0.35 0.78 -1.29 0.00 0.00 177.43 177.06 5ukd h ASN 99 N 0.46 1.03 -0.02 1.15 -0.26 -0.82 -0.93 115.58 116.19 5ukd h ASN 99 Ca 0.12 -0.15 -0.14 0.00 -0.56 0.00 0.00 56.30 55.58 5ukd h ASN 99 Cb -0.04 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 36.94 5ukd h ASN 99 CO -0.03 0.89 -0.43 -1.28 -1.06 0.00 0.00 177.43 175.52 5ukd h SER 100 N 1.10 0.58 0.42 5.81 0.87 -0.77 -0.75 113.55 120.81 5ukd h SER 100 Ca 0.26 -0.27 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 5ukd h SER 100 Cb 0.15 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 5ukd h SER 100 CO -0.03 0.94 -0.20 -0.25 -0.53 0.00 0.00 176.83 176.76 5ukd h TRP 101 N 0.44 -0.52 -0.87 2.24 2.91 -0.87 -1.15 115.95 118.14 5ukd h TRP 101 Ca 0.03 -0.01 0.17 0.00 1.13 0.00 0.00 58.89 60.21 5ukd h TRP 101 Cb 0.93 0.17 -0.10 0.00 -0.51 0.00 0.00 29.16 29.65 5ukd h TRP 101 CO 0.04 -0.32 0.44 1.49 -1.03 0.00 0.00 178.44 179.06 5ukd h GLU 102 N -0.57 0.55 -0.08 2.65 4.57 -0.93 0.31 114.58 121.08 5ukd h GLU 102 Ca -0.06 -0.03 -0.24 0.00 -1.18 0.00 0.00 59.36 57.85 5ukd h GLU 102 Cb 0.44 -0.13 0.01 0.00 -0.16 0.00 0.00 28.75 28.92 5ukd h GLU 102 CO 0.09 0.37 -0.90 1.49 -1.18 0.00 0.00 179.01 178.88 5ukd h GLU 103 N 0.57 0.73 0.15 1.92 4.22 -0.96 -3.03 114.58 118.18 5ukd h GLU 103 Ca 0.50 -0.69 -0.32 0.00 0.08 0.00 0.00 59.36 58.93 5ukd h GLU 103 Cb 0.78 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.20 5ukd h GLU 103 CO -0.41 1.28 -1.54 -0.91 -2.18 0.00 0.00 179.01 175.25 5ukd h ASN 104 N 0.46 0.50 0.00 1.04 2.35 -1.01 -3.44 115.58 115.49 5ukd h ASN 104 Ca -0.09 -0.66 -0.10 0.00 -0.55 0.00 0.00 56.30 54.90 5ukd h ASN 104 Cb 1.54 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.73 5ukd h ASN 104 CO 0.18 1.54 -1.39 0.23 -1.65 0.00 0.00 177.43 176.34 5ukd n MET 105 N -3.52 2.71 0.09 0.81 2.81 0.11 -4.76 117.12 115.36 5ukd n MET 105 Ca -0.17 0.00 0.20 0.00 -1.81 0.00 0.00 57.70 55.92 5ukd n MET 105 Cb 1.06 -1.15 0.71 0.00 -0.71 0.00 0.00 33.22 33.13 5ukd n MET 105 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 5ukd h LYS 106 N 0.00 0.00 0.00 0.03 1.79 -1.54 0.70 116.57 117.56 5ukd h LYS 106 Ca -0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 5ukd h LYS 106 Cb 1.34 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.99 5ukd h LYS 106 CO 0.00 0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 177.97 5ukd n ASP 107 N -3.54 0.35 -0.00 0.86 5.75 -1.26 -4.13 116.55 114.58 5ukd n ASP 107 Ca 0.08 0.54 0.02 0.00 -0.01 0.00 0.00 54.79 55.42 5ukd n ASP 107 Cb 0.70 -0.63 -0.03 0.00 -1.03 0.00 0.00 41.12 40.13 5ukd n ASP 107 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 5ukd n PHE 108 N -1.84 0.00 -4.17 2.11 3.72 0.24 -5.05 117.46 112.48 5ukd n PHE 108 Ca 0.06 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.35 5ukd n PHE 108 Cb 0.36 -0.08 -0.10 0.00 -0.94 0.00 0.00 39.48 38.72 5ukd n PHE 108 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 5ukd s VAL 109 N -2.16 0.67 -0.48 -4.37 -7.23 -1.01 -4.13 120.40 101.69 5ukd s VAL 109 Ca -0.01 -1.93 -0.07 0.00 -1.81 0.00 0.00 61.98 58.16 5ukd s VAL 109 Cb 0.02 -1.70 0.12 0.00 0.56 0.00 0.00 36.38 35.39 5ukd s VAL 109 CO 0.16 -0.85 0.33 -0.62 -0.31 0.00 0.00 175.10 173.80 5ukd s ASP 110 N -3.05 5.57 -0.30 4.85 -1.08 -0.06 -4.81 116.67 117.79 5ukd s ASP 110 Ca 0.12 -2.08 -0.23 0.00 -0.52 0.00 0.00 52.55 49.85 5ukd s ASP 110 Cb 0.05 -1.95 -0.00 0.00 -1.46 0.00 0.00 42.92 39.56 5ukd s ASP 110 CO -0.04 -0.61 0.76 0.42 0.52 0.00 0.00 175.17 176.21 5ukd s THR 111 N 1.11 4.83 -0.17 1.71 -4.23 -1.26 -1.09 115.64 116.54 5ukd s THR 111 Ca 0.08 1.17 -0.17 0.00 -1.18 0.00 0.00 61.69 61.60 5ukd s THR 111 Cb -0.24 -4.11 -0.13 0.00 1.34 0.00 0.00 72.50 69.36 5ukd s THR 111 CO -0.02 -0.20 0.17 0.11 -0.54 0.00 0.00 174.62 174.13 5ukd h LYS 112 N 8.07 0.00 -2.82 3.99 1.79 -1.18 -3.47 116.57 122.95 5ukd h LYS 112 Ca -0.25 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.31 5ukd h LYS 112 Cb 1.10 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.70 5ukd h LYS 112 CO 0.86 0.60 0.32 -0.59 -1.08 0.00 0.00 179.45 179.56 5ukd s PHE 113 N -2.21 -0.10 -0.23 -1.35 -0.71 -1.26 -4.94 117.98 107.18 5ukd s PHE 113 Ca -0.20 -0.36 -0.10 0.00 -1.04 0.00 0.00 56.93 55.23 5ukd s PHE 113 Cb 0.03 0.72 -0.05 0.00 -1.21 0.00 0.00 43.02 42.50 5ukd s PHE 113 CO 0.43 -1.19 0.15 0.08 -1.34 0.00 0.00 175.22 173.35 5ukd s VAL 114 N -3.38 5.33 -0.36 -2.49 1.01 0.12 -2.35 120.40 118.29 5ukd s VAL 114 Ca 0.13 0.17 -0.17 0.00 0.00 0.00 0.00 61.98 62.10 5ukd s VAL 114 Cb -0.05 -3.48 -0.00 0.00 0.00 0.00 0.00 36.38 32.86 5ukd s VAL 114 CO 0.07 0.36 0.47 -0.22 0.00 0.00 0.00 175.10 175.78 5ukd s LEU 115 N 0.93 4.44 -0.22 3.92 2.96 0.14 -0.92 118.68 129.94 5ukd s LEU 115 Ca 0.07 -0.18 -0.04 0.00 -0.22 0.00 0.00 54.13 53.76 5ukd s LEU 115 Cb -0.13 -2.50 -0.01 0.00 0.50 0.00 0.00 46.19 44.05 5ukd s LEU 115 CO 0.03 -0.47 -0.03 0.12 -1.32 0.00 0.00 176.35 174.69 5ukd s PHE 116 N 2.28 2.98 -0.40 5.38 5.36 -0.04 -0.54 117.98 133.00 5ukd s PHE 116 Ca 0.16 -0.79 -0.17 0.00 -0.96 0.00 0.00 56.93 55.17 5ukd s PHE 116 Cb -0.16 -2.11 0.01 0.00 -0.34 0.00 0.00 43.02 40.42 5ukd s PHE 116 CO 0.13 -0.47 0.43 -0.06 -1.46 0.00 0.00 175.22 173.79 5ukd s PHE 117 N 1.39 3.18 -0.08 10.12 0.08 -0.31 -1.05 117.98 131.30 5ukd s PHE 117 Ca 0.05 -0.26 -0.21 0.00 0.12 0.00 0.00 56.93 56.63 5ukd s PHE 117 Cb -0.14 -2.85 -0.04 0.00 -0.57 0.00 0.00 43.02 39.41 5ukd s PHE 117 CO -0.01 -0.64 0.59 0.34 -0.10 0.00 0.00 175.22 175.40 5ukd s ASP 118 N 1.79 6.85 -0.12 1.36 2.15 -1.00 -4.22 116.67 123.48 5ukd s ASP 118 Ca 0.13 1.02 -0.18 0.00 0.43 0.00 0.00 52.55 53.94 5ukd s ASP 118 Cb -0.17 -2.35 0.04 0.00 -0.30 0.00 0.00 42.92 40.15 5ukd s ASP 118 CO 0.13 -0.04 0.47 0.00 -0.17 0.00 0.00 175.17 175.56 5ukd s PRO 120 N -0.37 4.30 0.28 0.00 0.02 -1.26 -4.90 135.00 133.07 5ukd s PRO 120 Ca -0.05 2.29 0.02 0.00 0.02 0.00 0.00 61.00 63.28 5ukd s PRO 120 Cb -0.03 -3.05 0.59 0.00 0.02 0.00 0.00 34.50 32.03 5ukd s PRO 120 CO 0.03 -0.27 1.81 0.93 -0.33 0.00 0.00 177.00 179.16 5ukd h GLU 121 N 3.44 0.84 -0.86 5.54 5.08 -1.98 -1.18 114.58 125.45 5ukd h GLU 121 Ca -0.49 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 57.83 5ukd h GLU 121 Cb 1.23 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.25 5ukd h GLU 121 CO 0.66 0.55 0.57 0.93 -1.00 0.00 0.00 179.01 180.72 5ukd h GLU 122 N 0.86 1.12 -0.32 2.33 3.07 -2.00 0.12 114.58 119.77 5ukd h GLU 122 Ca 0.51 -0.07 -0.14 0.00 -0.50 0.00 0.00 59.36 59.16 5ukd h GLU 122 Cb 0.63 -0.25 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 5ukd h GLU 122 CO -0.31 0.74 -0.35 0.28 -1.40 0.00 0.00 179.01 177.97 5ukd h VAL 123 N 1.16 1.29 -0.87 3.13 2.07 -1.80 -2.83 116.25 118.39 5ukd h VAL 123 Ca 0.32 -1.53 0.02 0.00 0.82 0.00 0.00 66.70 66.33 5ukd h VAL 123 Cb -0.12 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 5ukd h VAL 123 CO -0.07 0.50 0.57 0.24 0.02 0.00 0.00 177.57 178.83 5ukd h MET 124 N 0.57 1.12 -0.60 1.57 2.86 -0.50 -1.71 114.93 118.25 5ukd h MET 124 Ca 0.05 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 5ukd h MET 124 Cb 0.94 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 5ukd h MET 124 CO 0.09 0.74 0.39 1.15 1.06 0.00 0.00 176.91 180.34 5ukd h THR 125 N 1.16 1.16 -0.58 2.22 2.02 -0.69 -0.91 112.91 117.29 5ukd h THR 125 Ca 0.33 -0.29 -0.07 0.00 0.77 0.00 0.00 66.41 67.14 5ukd h THR 125 Cb -0.10 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.57 5ukd h THR 125 CO -0.08 0.15 0.07 1.56 0.37 0.00 0.00 175.52 177.59 5ukd h GLN 126 N 0.81 0.98 -0.65 6.66 1.08 -1.19 -0.58 115.11 122.21 5ukd h GLN 126 Ca 0.22 -0.28 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 5ukd h GLN 126 Cb -0.09 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.21 5ukd h GLN 126 CO -0.05 0.94 0.35 0.00 -0.95 0.00 0.00 178.83 179.13 5ukd h ARG 127 N 0.88 0.92 -0.24 1.46 3.08 -0.94 -1.53 114.38 118.01 5ukd h ARG 127 Ca 0.17 -0.11 -0.17 0.00 0.07 0.00 0.00 59.98 59.94 5ukd h ARG 127 Cb 0.45 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 5ukd h ARG 127 CO 0.02 0.70 -0.54 -0.07 -1.07 0.00 0.00 179.97 179.01 5ukd h LEU 128 N 0.90 0.79 -0.92 3.04 3.38 -0.90 0.33 115.31 121.93 5ukd h LEU 128 Ca 0.23 -0.42 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 5ukd h LEU 128 Cb 0.06 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 5ukd h LEU 128 CO -0.04 1.17 -0.02 -0.07 0.09 0.00 0.00 178.44 179.58 5ukd h LEU 129 N 0.55 0.75 0.18 1.67 3.38 -1.04 0.26 115.31 121.06 5ukd h LEU 129 Ca 0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 5ukd h LEU 129 Cb 1.11 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.66 5ukd h LEU 129 CO 0.11 0.83 -0.09 0.50 0.09 0.00 0.00 178.44 179.88 5ukd h LYS 130 N 0.72 -0.23 -0.56 1.13 3.64 -1.05 -2.85 116.57 117.36 5ukd h LYS 130 Ca 0.14 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.58 5ukd h LYS 130 Cb 0.47 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 5ukd h LYS 130 CO 0.02 -0.03 0.37 -0.09 -2.27 0.00 0.00 179.45 177.46 5ukd h ARG 131 N -0.40 0.55 0.00 1.90 2.43 -0.20 -2.02 114.38 116.64 5ukd h ARG 131 Ca -0.02 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 5ukd h ARG 131 Cb 0.31 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 5ukd h ARG 131 CO 0.04 0.37 -0.07 0.78 -1.51 0.00 0.00 179.97 179.58 5ukd h GLY 132 N 0.57 0.00 2.00 2.80 0.00 -0.25 -0.03 103.07 108.16 5ukd h GLY 132 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 5ukd h GLY 132 CO -0.07 0.00 -0.04 0.83 0.00 0.00 0.00 176.54 177.26 5ukd h GLU 133 N 0.00 0.00 0.00 4.80 5.08 -1.20 -3.35 114.58 119.91 5ukd h GLU 133 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 5ukd h GLU 133 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 5ukd h GLU 133 CO 0.01 0.04 0.00 -1.13 -1.00 0.00 0.00 179.01 176.93 5ukd n SER 134 N -3.31 0.05 0.11 1.42 3.41 -0.55 -4.89 113.62 109.86 5ukd n SER 134 Ca -0.02 -0.64 -0.02 0.00 -0.26 0.00 0.00 58.87 57.93 5ukd n SER 134 Cb 0.19 0.03 0.04 0.00 -0.26 0.00 0.00 64.21 64.21 5ukd n SER 134 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 5ukd h SER 135 N 0.00 0.00 -2.56 4.04 4.64 -1.18 -3.47 113.55 115.02 5ukd h SER 135 Ca 0.00 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.03 5ukd h SER 135 Cb 0.29 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.31 5ukd h SER 135 CO 0.00 0.71 -0.33 0.61 -0.87 0.00 0.00 176.83 176.95 5ukd n GLY 136 N 0.94 0.37 3.72 -0.77 0.00 -1.26 -4.96 105.19 103.23 5ukd n GLY 136 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 5ukd n GLY 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 5ukd s ARG 137 N -4.20 4.56 0.12 1.61 0.52 -1.26 -4.94 118.95 115.35 5ukd s ARG 137 Ca 0.00 1.26 0.12 0.00 -0.52 0.00 0.00 55.73 56.59 5ukd s ARG 137 Cb 0.00 -3.42 0.57 0.00 0.52 0.00 0.00 34.95 32.62 5ukd s ARG 137 CO 0.00 0.10 1.37 -1.13 0.02 0.00 0.00 175.30 175.66 5ukd n SER 138 N 3.38 0.24 -0.68 0.23 3.41 -1.26 -2.81 113.62 116.13 5ukd n SER 138 Ca 0.02 0.59 0.07 0.00 -0.26 0.00 0.00 58.87 59.29 5ukd n SER 138 Cb 0.50 -0.63 0.14 0.00 -0.26 0.00 0.00 64.21 63.97 5ukd n SER 138 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 5ukd n ASP 139 N -1.80 2.79 -2.94 4.04 5.75 -1.26 -4.72 116.55 118.42 5ukd n ASP 139 Ca 0.01 -1.86 -0.37 0.00 -0.01 0.00 0.00 54.79 52.55 5ukd n ASP 139 Cb 0.08 -0.19 0.01 0.00 -1.03 0.00 0.00 41.12 39.99 5ukd n ASP 139 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 5ukd n ASP 140 N 0.70 7.30 -4.15 -1.12 8.00 -1.12 -3.72 116.55 122.43 5ukd n ASP 140 Ca 0.12 -3.64 -0.12 0.00 0.71 0.00 0.00 54.79 51.85 5ukd n ASP 140 Cb 0.42 -1.13 -0.10 0.00 -0.02 0.00 0.00 41.12 40.28 5ukd n ASP 140 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 5ukd s ASN 141 N -0.72 1.15 0.34 -2.24 2.20 -1.26 -4.52 114.94 109.89 5ukd s ASN 141 Ca 0.52 -0.86 0.02 0.00 -0.94 0.00 0.00 52.86 51.60 5ukd s ASN 141 Cb 0.38 0.06 0.60 0.00 -2.00 0.00 0.00 41.25 40.29 5ukd s ASN 141 CO -0.32 -0.36 1.98 0.40 -2.94 0.00 0.00 177.10 175.86 5ukd h ILE 142 N 3.44 1.17 -0.04 0.54 5.03 -1.98 0.50 117.51 126.17 5ukd h ILE 142 Ca -0.36 -0.39 0.00 0.00 -0.12 0.00 0.00 64.86 64.00 5ukd h ILE 142 Cb 1.18 0.31 -0.00 0.00 -3.03 0.00 0.00 36.82 35.28 5ukd h ILE 142 CO 0.57 0.18 0.03 -0.08 -0.68 0.00 0.00 178.15 178.17 5ukd h GLU 143 N 0.84 0.06 -0.32 2.37 4.57 -1.97 -2.10 114.58 118.03 5ukd h GLU 143 Ca 0.22 -0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.35 5ukd h GLU 143 Cb -0.03 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 5ukd h GLU 143 CO -0.04 0.06 0.03 0.77 -1.18 0.00 0.00 179.01 178.65 5ukd h SER 144 N 0.04 0.53 -0.57 1.04 0.02 -1.68 -3.06 113.55 109.87 5ukd h SER 144 Ca 0.02 -0.28 0.07 0.00 -0.84 0.00 0.00 61.79 60.76 5ukd h SER 144 Cb 0.02 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.35 5ukd h SER 144 CO -0.00 0.68 0.24 0.40 -1.14 0.00 0.00 176.83 177.00 5ukd h ILE 145 N 0.37 0.84 -0.06 3.27 2.04 -0.70 0.40 117.51 123.67 5ukd h ILE 145 Ca 0.10 -0.15 -0.11 0.00 1.00 0.00 0.00 64.86 65.69 5ukd h ILE 145 Cb 0.38 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 5ukd h ILE 145 CO 0.01 0.08 -0.47 0.11 0.00 0.00 0.00 178.15 177.88 5ukd h LYS 146 N 0.44 0.16 -0.56 2.37 1.79 -1.40 -1.51 116.57 117.87 5ukd h LYS 146 Ca 0.27 -0.08 -0.08 0.00 -2.18 0.00 0.00 60.65 58.58 5ukd h LYS 146 Cb 0.28 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.91 5ukd h LYS 146 CO -0.25 0.60 0.03 0.87 -1.08 0.00 0.00 179.45 179.62 5ukd h LYS 147 N 0.13 0.94 -0.70 3.15 1.57 -1.13 -1.89 116.57 118.63 5ukd h LYS 147 Ca 0.01 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.46 5ukd h LYS 147 Cb 0.89 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 5ukd h LYS 147 CO 0.07 0.91 0.19 0.00 -0.57 0.00 0.00 179.45 180.05 5ukd h ARG 148 N 0.87 1.09 -0.32 3.15 3.08 -0.59 -2.13 114.38 119.54 5ukd h ARG 148 Ca 0.17 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 5ukd h ARG 148 Cb 0.47 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 5ukd h ARG 148 CO 0.02 0.95 0.20 0.74 -1.07 0.00 0.00 179.97 180.81 5ukd h PHE 149 N 1.04 0.41 -0.84 3.04 0.04 -0.90 -1.74 116.94 118.00 5ukd h PHE 149 Ca 0.22 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.97 5ukd h PHE 149 Cb 0.33 -0.14 -0.04 0.00 2.20 0.00 0.00 35.95 38.31 5ukd h PHE 149 CO 0.03 0.29 0.41 -0.97 -0.60 0.00 0.00 178.31 177.46 5ukd h ASN 150 N 0.42 1.09 -0.38 2.17 -1.24 -1.12 0.52 115.58 117.04 5ukd h ASN 150 Ca 0.12 -0.13 -0.02 0.00 0.71 0.00 0.00 56.30 56.97 5ukd h ASN 150 Cb -0.01 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 38.74 5ukd h ASN 150 CO -0.02 0.92 0.15 0.74 -1.29 0.00 0.00 177.43 177.93 5ukd h THR 151 N 1.19 1.19 -0.43 -3.57 2.02 -1.26 0.11 112.91 112.17 5ukd h THR 151 Ca 0.29 -0.60 0.03 0.00 0.77 0.00 0.00 66.41 66.91 5ukd h THR 151 Cb 0.11 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 5ukd h THR 151 CO -0.04 0.21 0.21 0.15 0.37 0.00 0.00 175.52 176.43 5ukd h PHE 152 N 0.46 0.39 -0.35 3.16 3.57 -1.08 0.32 116.94 123.42 5ukd h PHE 152 Ca 0.13 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 5ukd h PHE 152 Cb 0.19 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 5ukd h PHE 152 CO -0.00 0.20 0.01 -0.91 -2.23 0.00 0.00 178.31 175.38 5ukd h ASN 153 N 0.43 0.60 0.43 0.41 2.35 -0.45 -1.56 115.58 117.79 5ukd h ASN 153 Ca 0.19 -0.30 -0.31 0.00 -0.55 0.00 0.00 56.30 55.33 5ukd h ASN 153 Cb 0.09 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 5ukd h ASN 153 CO -0.13 0.75 -1.55 0.58 -1.65 0.00 0.00 177.43 175.42 5ukd h VAL 154 N 0.43 1.13 0.00 2.81 2.07 -0.67 -3.38 116.25 118.64 5ukd h VAL 154 Ca 0.10 -2.77 -0.26 0.00 0.82 0.00 0.00 66.70 64.59 5ukd h VAL 154 Cb 0.43 2.76 -0.04 0.00 -1.52 0.00 0.00 31.29 32.92 5ukd h VAL 154 CO 0.02 0.82 -1.95 0.00 0.02 0.00 0.00 177.57 176.48 5ukd n GLN 155 N -3.46 0.40 0.13 1.57 6.02 0.09 -4.73 117.38 117.39 5ukd n GLN 155 Ca -0.17 0.12 -0.24 0.00 -0.01 0.00 0.00 57.00 56.70 5ukd n GLN 155 Cb 1.05 -1.26 -0.15 0.00 1.02 0.00 0.00 30.24 30.90 5ukd n GLN 155 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 5ukd h THR 156 N -0.20 1.28 -0.11 5.09 2.02 -0.98 -3.32 112.91 116.69 5ukd h THR 156 Ca -0.39 -2.61 0.01 0.00 0.77 0.00 0.00 66.41 64.19 5ukd h THR 156 Cb 1.51 2.92 -0.01 0.00 -1.74 0.00 0.00 68.15 70.83 5ukd h THR 156 CO -0.13 0.79 0.07 0.11 0.37 0.00 0.00 175.52 176.74 5ukd h LYS 157 N 0.20 0.11 -0.68 6.66 1.57 -1.49 -0.88 116.57 122.06 5ukd h LYS 157 Ca -0.23 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.51 5ukd h LYS 157 Cb 2.08 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 34.34 5ukd h LYS 157 CO 0.26 0.07 0.30 -0.07 -0.57 0.00 0.00 179.45 179.45 5ukd h LEU 158 N 0.11 0.89 -0.22 2.94 -0.00 -1.84 0.41 115.31 117.60 5ukd h LEU 158 Ca 0.04 -0.11 -0.03 0.00 -0.00 0.00 0.00 57.88 57.78 5ukd h LEU 158 Cb 0.04 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.47 5ukd h LEU 158 CO -0.01 0.78 0.00 0.58 -0.00 0.00 0.00 178.44 179.79 5ukd h VAL 159 N 0.97 1.25 -0.85 1.22 2.07 -1.29 -0.78 116.25 118.84 5ukd h VAL 159 Ca 0.23 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 5ukd h VAL 159 Cb 0.14 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 5ukd h VAL 159 CO -0.03 0.27 0.46 0.40 0.02 0.00 0.00 177.57 178.69 5ukd h ILE 160 N 0.16 1.25 -0.99 4.57 2.04 -1.17 -1.33 117.51 122.04 5ukd h ILE 160 Ca 0.06 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.30 5ukd h ILE 160 Cb 0.39 0.11 -0.05 0.00 -0.74 0.00 0.00 36.82 36.54 5ukd h ILE 160 CO 0.01 0.29 0.66 0.44 0.00 0.00 0.00 178.15 179.54 5ukd h ASP 161 N 1.20 1.13 -0.16 1.72 3.32 -0.83 -1.44 116.42 121.35 5ukd h ASP 161 Ca 0.30 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.32 5ukd h ASP 161 Cb 0.04 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 5ukd h ASP 161 CO -0.05 0.81 0.09 -0.74 -1.72 0.00 0.00 179.24 177.64 5ukd h HIS 162 N 1.33 0.22 0.00 4.55 2.76 -0.08 -2.42 115.15 121.51 5ukd h HIS 162 Ca 0.37 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.46 5ukd h HIS 162 Cb -0.14 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 28.74 5ukd h HIS 162 CO -0.00 0.21 -0.35 1.88 -1.30 0.00 0.00 177.93 178.38 5ukd h TYR 163 N 0.17 0.00 0.00 5.26 -1.99 -1.02 -2.31 116.97 117.08 5ukd h TYR 163 Ca 0.06 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.71 5ukd h TYR 163 Cb 0.06 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.78 5ukd h TYR 163 CO -0.04 0.35 -0.37 -0.97 -0.00 0.00 0.00 178.16 177.13 5ukd h ASN 164 N 0.00 0.00 -0.80 3.88 -0.73 -1.03 -0.54 115.58 116.36 5ukd h ASN 164 Ca -0.00 0.00 0.18 0.00 1.87 0.00 0.00 56.30 58.34 5ukd h ASN 164 Cb 0.66 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 39.20 5ukd h ASN 164 CO 0.05 0.37 0.54 0.11 -0.37 0.00 0.00 177.43 178.12 5ukd h LYS 165 N 0.00 0.34 -0.32 6.67 1.57 -0.92 -1.97 116.57 121.95 5ukd h LYS 165 Ca -0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 5ukd h LYS 165 Cb 0.92 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.15 5ukd h LYS 165 CO 0.05 0.23 0.00 1.19 -0.57 0.00 0.00 179.45 180.34 5ukd n PHE 166 N -4.47 1.03 -2.46 -1.35 3.72 -0.79 -4.95 117.46 108.19 5ukd n PHE 166 Ca 0.16 -0.81 -0.17 0.00 -0.05 0.00 0.00 57.45 56.58 5ukd n PHE 166 Cb 0.63 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 5ukd n PHE 166 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 5ukd n ASP 167 N -0.22 -5.05 -1.19 4.37 9.92 -0.74 -4.91 116.55 118.73 5ukd n ASP 167 Ca 0.21 -0.07 0.01 0.00 -0.53 0.00 0.00 54.79 54.41 5ukd n ASP 167 Cb 0.87 -4.08 0.25 0.00 -0.64 0.00 0.00 41.12 37.52 5ukd n ASP 167 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 5ukd n LYS 168 N -2.82 2.68 -4.68 -1.24 5.02 -0.28 -4.92 118.16 111.91 5ukd n LYS 168 Ca -0.17 -3.00 -0.33 0.00 -2.02 0.00 0.00 58.31 52.80 5ukd n LYS 168 Cb 0.64 -1.91 -0.16 0.00 -0.02 0.00 0.00 35.03 33.58 5ukd n LYS 168 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 5ukd s VAL 169 N -3.01 2.09 -0.28 -0.18 1.01 -1.26 0.12 120.40 118.90 5ukd s VAL 169 Ca 0.45 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 5ukd s VAL 169 Cb 0.38 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.93 5ukd s VAL 169 CO 0.07 0.55 0.06 -0.54 0.00 0.00 0.00 175.10 175.24 5ukd s LYS 170 N 0.80 3.20 -0.17 2.72 -0.14 -0.10 -4.97 119.74 121.09 5ukd s LYS 170 Ca -0.07 -0.78 -0.15 0.00 -1.36 0.00 0.00 55.97 53.61 5ukd s LYS 170 Cb -0.16 -3.32 -0.04 0.00 -1.68 0.00 0.00 37.83 32.64 5ukd s LYS 170 CO -0.02 -0.38 0.34 0.42 -0.76 0.00 0.00 175.35 174.96 5ukd s ILE 171 N 1.51 5.26 -0.24 2.17 1.01 -1.26 -0.86 121.20 128.80 5ukd s ILE 171 Ca 0.03 0.64 0.02 0.00 0.00 0.00 0.00 60.65 61.34 5ukd s ILE 171 Cb -0.17 -3.68 0.05 0.00 0.01 0.00 0.00 42.46 38.68 5ukd s ILE 171 CO 0.02 0.34 -0.10 -0.63 0.00 0.00 0.00 174.94 174.57 5ukd s ILE 172 N 0.73 1.91 0.22 2.92 1.01 -0.21 -4.97 121.20 122.81 5ukd s ILE 172 Ca 0.18 -1.36 -0.31 0.00 0.00 0.00 0.00 60.65 59.16 5ukd s ILE 172 Cb -0.14 -2.02 -0.11 0.00 0.01 0.00 0.00 42.46 40.20 5ukd s ILE 172 CO 0.06 0.04 1.56 -2.16 0.00 0.00 0.00 174.94 174.44 5ukd s PRO 173 N 1.24 4.19 -0.09 2.79 0.04 -1.26 -2.37 135.00 139.55 5ukd s PRO 173 Ca -0.06 2.43 0.13 0.00 0.04 0.00 0.00 61.00 63.54 5ukd s PRO 173 Cb -0.18 -3.10 0.26 0.00 0.04 0.00 0.00 34.50 31.51 5ukd s PRO 173 CO -0.07 -0.58 1.17 0.00 0.04 0.00 0.00 177.00 177.56 5ukd n ALA 174 N 3.11 2.31 -1.57 8.56 0.00 0.75 -4.73 120.51 128.94 5ukd n ALA 174 Ca 0.11 -2.01 -0.31 0.00 0.00 0.00 0.00 53.44 51.22 5ukd n ALA 174 Cb 0.38 -0.34 -0.00 0.00 0.00 0.00 0.00 19.45 19.49 5ukd n ALA 174 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 5ukd n ASN 175 N -0.86 6.93 -3.42 0.00 5.15 -1.25 -4.87 115.26 116.94 5ukd n ASN 175 Ca 0.12 -3.46 -0.18 0.00 -0.60 0.00 0.00 54.58 50.46 5ukd n ASN 175 Cb 0.56 -1.14 -0.08 0.00 -0.53 0.00 0.00 39.78 38.59 5ukd n ASN 175 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 5ukd s ARG 176 N -2.70 1.72 0.39 1.20 0.52 -1.26 -5.11 118.95 113.71 5ukd s ARG 176 Ca 0.55 -1.96 -0.26 0.00 -0.52 0.00 0.00 55.73 53.53 5ukd s ARG 176 Cb 0.40 0.33 -0.11 0.00 0.52 0.00 0.00 34.95 36.09 5ukd s ARG 176 CO -0.25 -0.64 1.19 -3.47 0.02 0.00 0.00 175.30 172.15 5ukd n ASP 177 N -1.42 2.20 -0.07 0.23 2.03 -1.26 -4.75 116.55 113.51 5ukd n ASP 177 Ca 0.06 1.12 0.16 0.00 0.52 0.00 0.00 54.79 56.66 5ukd n ASP 177 Cb 0.63 -1.44 0.58 0.00 -0.72 0.00 0.00 41.12 40.16 5ukd n ASP 177 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 5ukd h VAL 178 N 2.06 0.80 0.02 5.18 3.04 -1.99 -1.42 116.25 123.94 5ukd h VAL 178 Ca -0.46 -0.08 -0.21 0.00 -1.01 0.00 0.00 66.70 64.94 5ukd h VAL 178 Cb 1.31 0.55 -0.01 0.00 -2.01 0.00 0.00 31.29 31.12 5ukd h VAL 178 CO 0.60 0.04 -0.95 0.78 -1.01 0.00 0.00 177.57 177.03 5ukd h ASN 179 N 0.23 0.20 -0.50 3.17 2.35 -1.98 -0.32 115.58 118.72 5ukd h ASN 179 Ca 0.29 -0.18 -0.09 0.00 -0.55 0.00 0.00 56.30 55.77 5ukd h ASN 179 Cb 0.82 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.12 5ukd h ASN 179 CO -0.06 1.04 -0.04 -0.33 -1.65 0.00 0.00 177.43 176.39 5ukd h GLU 180 N 0.07 0.92 -0.06 0.81 5.08 -1.68 -0.69 114.58 119.02 5ukd h GLU 180 Ca -0.05 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.00 5ukd h GLU 180 Cb 1.63 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.80 5ukd h GLU 180 CO 0.14 0.96 0.03 0.28 -1.00 0.00 0.00 179.01 179.42 5ukd h VAL 181 N 0.78 1.11 -0.56 3.13 2.07 -1.23 -3.09 116.25 118.46 5ukd h VAL 181 Ca 0.14 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 5ukd h VAL 181 Cb 0.57 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 5ukd h VAL 181 CO 0.03 0.10 0.25 0.22 0.02 0.00 0.00 177.57 178.19 5ukd h TYR 182 N -0.03 0.79 -0.68 1.57 3.20 -1.01 -1.60 116.97 119.20 5ukd h TYR 182 Ca 0.02 -0.03 0.13 0.00 3.14 0.00 0.00 58.73 61.99 5ukd h TYR 182 Cb 0.13 -0.25 -0.09 0.00 1.54 0.00 0.00 36.73 38.06 5ukd h TYR 182 CO -0.03 0.59 0.23 -0.97 -1.64 0.00 0.00 178.16 176.34 5ukd h ASN 183 N 0.79 0.17 -0.45 -2.11 -1.24 -1.04 0.39 115.58 112.08 5ukd h ASN 183 Ca 0.19 0.11 -0.12 0.00 0.71 0.00 0.00 56.30 57.19 5ukd h ASN 183 Cb 0.11 0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.26 5ukd h ASN 183 CO -0.02 0.07 -0.20 0.44 -1.29 0.00 0.00 177.43 176.43 5ukd h ASP 184 N 0.37 0.96 -0.08 1.15 3.32 -1.37 -1.31 116.42 119.45 5ukd h ASP 184 Ca 0.37 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 57.02 5ukd h ASP 184 Cb 0.54 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 5ukd h ASP 184 CO -0.39 1.14 0.04 0.58 -1.72 0.00 0.00 179.24 178.88 5ukd h VAL 185 N 0.77 1.00 -0.56 -1.35 2.07 -0.33 -1.10 116.25 116.75 5ukd h VAL 185 Ca 0.10 -0.03 -0.06 0.00 0.82 0.00 0.00 66.70 67.53 5ukd h VAL 185 Cb 0.77 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 5ukd h VAL 185 CO 0.06 0.02 0.10 -0.08 0.02 0.00 0.00 177.57 177.68 5ukd h GLU 186 N 0.09 0.88 -0.30 1.57 4.81 -0.12 -1.37 114.58 120.14 5ukd h GLU 186 Ca 0.03 -0.20 -0.08 0.00 -0.13 0.00 0.00 59.36 58.98 5ukd h GLU 186 Cb 0.00 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 5ukd h GLU 186 CO -0.02 0.82 -0.15 -0.91 -0.73 0.00 0.00 179.01 178.01 5ukd h ASN 187 N 0.84 0.51 -0.09 1.04 2.35 -1.11 -2.44 115.58 116.67 5ukd h ASN 187 Ca 0.18 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 5ukd h ASN 187 Cb 0.36 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 5ukd h ASN 187 CO 0.01 0.68 -0.00 0.25 -1.65 0.00 0.00 177.43 176.72 5ukd h LEU 188 N 0.48 0.16 -0.91 1.61 5.85 -0.25 -0.77 115.31 121.48 5ukd h LEU 188 Ca 0.08 -0.31 -0.08 0.00 0.84 0.00 0.00 57.88 58.41 5ukd h LEU 188 Cb 0.54 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 5ukd h LEU 188 CO 0.03 0.44 -0.08 -0.26 -0.34 0.00 0.00 178.44 178.23 5ukd h PHE 189 N -0.12 0.77 -0.09 1.25 -1.00 -1.19 -1.13 116.94 115.43 5ukd h PHE 189 Ca 0.03 -0.12 -0.01 0.00 2.81 0.00 0.00 57.97 60.68 5ukd h PHE 189 Cb 0.35 -0.21 -0.00 0.00 3.61 0.00 0.00 35.95 39.71 5ukd h PHE 189 CO 0.03 0.77 0.04 0.87 -1.61 0.00 0.00 178.31 178.41 5ukd h LYS 190 N 0.66 0.14 0.00 1.51 1.57 -1.35 -0.42 116.57 118.68 5ukd h LYS 190 Ca 0.12 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 5ukd h LYS 190 Cb 0.52 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 5ukd h LYS 190 CO 0.03 0.27 -0.04 0.66 -0.57 0.00 0.00 179.45 179.79 5ukd h SER 191 N -0.01 0.00 -0.03 0.86 4.64 -0.86 0.51 113.55 118.66 5ukd h SER 191 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 5ukd h SER 191 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 5ukd h SER 191 CO -0.00 0.04 0.00 0.23 -0.87 0.00 0.00 176.83 176.23 5ukd n MET 192 N -4.09 1.47 -0.63 4.77 2.81 -0.45 -4.92 117.12 116.09 5ukd n MET 192 Ca -0.03 -0.69 0.00 0.00 -1.81 0.00 0.00 57.70 55.17 5ukd n MET 192 Cb 0.13 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.17 5ukd n MET 192 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 5ukd n GLY 193 N 1.11 0.63 0.79 3.03 0.00 0.17 -5.05 105.19 105.86 5ukd n GLY 193 Ca 0.20 -0.57 0.13 0.00 0.00 0.00 0.00 46.02 45.78 5ukd n GLY 193 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01