#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kuk s LEU 17 N 0.00 4.48 0.52 -2.67 1.02 -1.26 -1.23 118.68 119.54 3kuk s LEU 17 Ca 0.00 2.35 -0.22 0.00 0.02 0.00 0.00 54.13 56.29 3kuk s LEU 17 Cb 0.00 -3.62 -0.06 0.00 0.02 0.00 0.00 46.19 42.53 3kuk s LEU 17 CO 0.00 -0.33 1.25 -0.69 0.02 0.00 0.00 176.35 176.60 3kuk s VAL 18 N -0.69 2.63 0.11 -1.59 1.01 -1.04 -4.97 120.40 115.86 3kuk s VAL 18 Ca 0.49 0.46 -0.09 0.00 0.00 0.00 0.00 61.98 62.84 3kuk s VAL 18 Cb -0.34 -3.22 -0.00 0.00 0.00 0.00 0.00 36.38 32.81 3kuk s VAL 18 CO 0.42 -0.02 0.22 -1.10 0.00 0.00 0.00 175.10 174.61 3kuk s GLN 19 N -2.89 0.93 0.13 2.72 -0.21 -1.26 -4.84 119.66 114.23 3kuk s GLN 19 Ca 0.69 -1.01 0.11 0.00 0.02 0.00 0.00 55.36 55.17 3kuk s GLN 19 Cb -0.33 0.35 -0.04 0.00 1.00 0.00 0.00 33.01 33.99 3kuk s GLN 19 CO 0.39 -0.31 -0.27 -0.51 -2.12 0.00 0.00 175.29 172.48 3kuk s LEU 20 N -2.89 2.33 -1.24 2.90 1.43 -1.26 -4.79 118.68 115.16 3kuk s LEU 20 Ca 0.08 -0.75 -0.06 0.00 -1.03 0.00 0.00 54.13 52.37 3kuk s LEU 20 Cb 0.04 -1.23 0.19 0.00 0.03 0.00 0.00 46.19 45.23 3kuk s LEU 20 CO -0.08 0.18 1.99 0.00 0.23 0.00 0.00 176.35 178.67 3kuk s ASN 22 N 0.04 0.05 0.58 0.00 2.47 -1.26 -5.03 114.94 111.79 3kuk s ASN 22 Ca 0.43 -0.56 0.29 0.00 0.42 0.00 0.00 52.86 53.44 3kuk s ASN 22 Cb 0.13 1.23 1.75 0.00 -1.45 0.00 0.00 41.25 42.91 3kuk s ASN 22 CO -0.03 -0.31 2.23 1.55 -3.72 0.00 0.00 177.10 176.82 3kuk h PRO 23 N 7.83 0.00 0.00 0.43 0.13 -2.04 -3.14 132.00 135.20 3kuk h PRO 23 Ca -0.04 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.08 3kuk h PRO 23 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 3kuk h PRO 23 CO 0.22 0.02 -0.07 0.45 -0.23 0.00 0.00 178.00 178.39 3kuk h HIS 24 N 0.00 0.00 -0.34 1.56 3.86 -2.01 -2.98 115.15 115.24 3kuk h HIS 24 Ca -0.00 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.05 3kuk h HIS 24 Cb 0.05 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 3kuk h HIS 24 CO 0.00 0.07 -0.43 0.82 0.86 0.00 0.00 177.93 179.26 3kuk h ILE 25 N 0.00 1.28 0.00 2.45 1.08 -1.97 -3.00 117.51 117.35 3kuk h ILE 25 Ca -0.00 -1.60 -0.03 0.00 -0.39 0.00 0.00 64.86 62.84 3kuk h ILE 25 Cb 0.20 1.46 -0.00 0.00 -3.07 0.00 0.00 36.82 35.41 3kuk h ILE 25 CO 0.01 0.53 -0.13 0.00 -0.69 0.00 0.00 178.15 177.87 3kuk h ALA 26 N 0.81 1.59 0.00 1.87 0.00 -1.74 -2.72 119.26 119.07 3kuk h ALA 26 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kuk h ALA 26 Cb 1.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3kuk h ALA 26 CO 0.10 0.16 -0.34 0.00 0.00 0.00 0.00 179.25 179.17 3kuk h ALA 27 N 1.87 0.79 -2.77 0.00 0.00 -1.63 -3.47 119.26 114.05 3kuk h ALA 27 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 3kuk h ALA 27 Cb 0.26 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.08 3kuk h ALA 27 CO 0.02 0.00 0.53 -1.64 0.00 0.00 0.00 179.25 178.16 3kuk s MET 28 N -3.18 4.55 0.47 0.00 1.00 -1.03 -4.93 119.30 116.18 3kuk s MET 28 Ca 0.07 1.89 0.29 0.00 0.00 0.00 0.00 55.69 57.94 3kuk s MET 28 Cb 0.11 -3.19 0.97 0.00 0.00 0.00 0.00 34.83 32.72 3kuk s MET 28 CO 0.68 0.05 1.83 0.87 0.00 0.00 0.00 175.02 178.45 3kuk h LYS 29 N 4.25 0.00 -2.91 2.03 1.57 -1.91 -3.45 116.57 116.16 3kuk h LYS 29 Ca -0.46 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.28 3kuk h LYS 29 Cb 1.21 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.39 3kuk h LYS 29 CO 0.69 0.00 0.15 -1.83 -0.57 0.00 0.00 179.45 177.89 3kuk s GLU 30 N -3.46 1.19 -0.25 3.15 -1.05 -1.26 -4.98 118.70 112.05 3kuk s GLU 30 Ca 0.04 -0.39 0.00 0.00 -0.15 0.00 0.00 54.97 54.48 3kuk s GLU 30 Cb 0.08 0.55 0.07 0.00 -0.44 0.00 0.00 34.13 34.39 3kuk s GLU 30 CO 0.58 -0.49 -0.01 0.34 0.95 0.00 0.00 175.26 176.62 3kuk s ASP 31 N -2.48 3.83 -0.25 0.83 2.15 -1.26 -4.99 116.67 114.50 3kuk s ASP 31 Ca -0.01 -1.28 -0.19 0.00 0.43 0.00 0.00 52.55 51.50 3kuk s ASP 31 Cb -0.00 -1.09 -0.03 0.00 -0.30 0.00 0.00 42.92 41.50 3kuk s ASP 31 CO -0.09 -0.28 0.55 -0.63 -0.17 0.00 0.00 175.17 174.55 3kuk s ILE 32 N 1.45 5.05 -1.10 4.11 1.01 -1.26 -0.98 121.20 129.48 3kuk s ILE 32 Ca -0.02 0.97 -0.11 0.00 0.00 0.00 0.00 60.65 61.50 3kuk s ILE 32 Cb -0.18 -3.86 0.25 0.00 0.01 0.00 0.00 42.46 38.67 3kuk s ILE 32 CO -0.09 0.08 1.14 -0.76 0.00 0.00 0.00 174.94 175.30 3kuk s LEU 33 N 2.28 6.11 0.17 2.97 1.43 0.19 -4.92 118.68 126.92 3kuk s LEU 33 Ca 0.23 -3.34 -0.17 0.00 -1.03 0.00 0.00 54.13 49.82 3kuk s LEU 33 Cb -0.16 -2.25 0.10 0.00 0.03 0.00 0.00 46.19 43.92 3kuk s LEU 33 CO 0.09 -0.43 1.66 0.22 0.23 0.00 0.00 176.35 178.12 3kuk h TYR 34 N 6.94 -0.25 0.00 0.29 3.20 -1.95 -0.67 116.97 124.53 3kuk h TYR 34 Ca 0.20 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.11 3kuk h TYR 34 Cb 0.90 0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.34 3kuk h TYR 34 CO 0.86 -0.19 0.00 0.72 -1.64 0.00 0.00 178.16 177.91 3kuk n HIS 35 N -5.32 0.13 0.17 -3.82 8.25 -1.26 -1.77 115.22 111.58 3kuk n HIS 35 Ca 0.03 0.04 0.11 0.00 -0.26 0.00 0.00 57.72 57.64 3kuk n HIS 35 Cb 0.23 -0.57 -0.07 0.00 1.12 0.00 0.00 29.99 30.70 3kuk n HIS 35 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3kuk n PHE 36 N -1.61 0.39 -3.13 4.41 0.99 -0.33 -4.12 117.46 114.06 3kuk n PHE 36 Ca 0.05 0.11 -0.14 0.00 -0.00 0.00 0.00 57.45 57.47 3kuk n PHE 36 Cb 0.24 -0.64 0.05 0.00 -1.00 0.00 0.00 39.48 38.14 3kuk n PHE 36 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3kuk n SER 37 N -2.33 -4.46 -3.99 4.37 2.88 -0.73 -4.63 113.62 104.74 3kuk n SER 37 Ca -0.01 -0.32 -0.18 0.00 -1.33 0.00 0.00 58.87 57.03 3kuk n SER 37 Cb 0.53 -3.16 -0.15 0.00 -0.75 0.00 0.00 64.21 60.68 3kuk n SER 37 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3kuk s LEU 38 N -4.70 1.93 0.03 2.46 1.02 -1.05 -4.97 118.68 113.41 3kuk s LEU 38 Ca 0.33 -0.14 0.02 0.00 0.02 0.00 0.00 54.13 54.36 3kuk s LEU 38 Cb -0.14 -0.41 -0.02 0.00 0.02 0.00 0.00 46.19 45.64 3kuk s LEU 38 CO 0.43 0.08 -0.06 -0.55 0.02 0.00 0.00 176.35 176.26 3kuk s SER 39 N -0.04 0.69 0.56 2.29 0.15 -1.26 0.57 113.70 116.66 3kuk s SER 39 Ca 0.01 -0.44 0.26 0.00 0.70 0.00 0.00 55.95 56.48 3kuk s SER 39 Cb -0.04 0.02 1.51 0.00 -1.71 0.00 0.00 66.02 65.80 3kuk s SER 39 CO -0.00 -0.16 2.06 0.74 1.20 0.00 0.00 173.24 177.08 3kuk h THR 40 N 4.64 0.61 0.00 6.45 2.02 -1.30 -1.25 112.91 124.08 3kuk h THR 40 Ca -0.33 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3kuk h THR 40 Cb 1.20 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 3kuk h THR 40 CO 0.43 0.00 -0.61 -1.54 0.37 0.00 0.00 175.52 174.17 3kuk n SER 41 N -4.07 0.69 -0.65 4.18 3.41 -1.26 -4.21 113.62 111.71 3kuk n SER 41 Ca 0.04 -0.69 0.08 0.00 -0.26 0.00 0.00 58.87 58.04 3kuk n SER 41 Cb 0.41 1.05 0.08 0.00 -0.26 0.00 0.00 64.21 65.49 3kuk n SER 41 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kuk n THR 42 N -1.32 0.10 -3.79 6.66 -2.24 -1.13 -5.01 114.28 107.55 3kuk n THR 42 Ca 0.02 -0.55 -0.13 0.00 -2.27 0.00 0.00 64.05 61.12 3kuk n THR 42 Cb 0.18 1.24 -0.11 0.00 -2.10 0.00 0.00 70.33 69.54 3kuk n THR 42 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3kuk s HIS 43 N -1.26 -0.25 -0.69 4.78 4.02 -0.49 -4.88 115.29 116.52 3kuk s HIS 43 Ca 0.19 0.59 -0.18 0.00 1.02 0.00 0.00 55.06 56.69 3kuk s HIS 43 Cb 0.13 0.08 0.14 0.00 -1.02 0.00 0.00 32.58 31.91 3kuk s HIS 43 CO 0.20 -0.14 0.76 0.34 1.02 0.00 0.00 174.74 176.92 3kuk s ASP 44 N 0.01 6.38 0.01 1.40 3.68 -1.26 -4.57 116.67 122.32 3kuk s ASP 44 Ca -0.01 -1.84 -0.25 0.00 2.13 0.00 0.00 52.55 52.58 3kuk s ASP 44 Cb -0.02 -2.29 -0.18 0.00 -1.45 0.00 0.00 42.92 38.98 3kuk s ASP 44 CO 0.01 -0.97 1.37 -0.26 0.13 0.00 0.00 175.17 175.45 3kuk h PHE 45 N 8.80 -0.11 -0.68 -5.34 -1.00 -1.89 -0.80 116.94 115.92 3kuk h PHE 45 Ca -0.14 -0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.65 3kuk h PHE 45 Cb 1.07 0.04 -0.04 0.00 3.61 0.00 0.00 35.95 40.63 3kuk h PHE 45 CO 0.92 0.22 0.45 -1.35 -1.61 0.00 0.00 178.31 176.94 3kuk h PRO 46 N -0.45 0.88 -0.70 1.51 0.11 -1.80 0.36 132.00 131.92 3kuk h PRO 46 Ca -0.01 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3kuk h PRO 46 Cb 0.38 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.25 3kuk h PRO 46 CO 0.02 0.58 0.45 0.00 -0.21 0.00 0.00 178.00 178.84 3kuk h ALA 47 N 1.26 1.48 0.11 -0.75 0.00 -1.91 -1.19 119.26 118.26 3kuk h ALA 47 Ca 0.25 -0.06 -0.33 0.00 0.00 0.00 0.00 54.91 54.78 3kuk h ALA 47 Cb -0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3kuk h ALA 47 CO -0.06 0.47 -1.71 0.52 0.00 0.00 0.00 179.25 178.47 3kuk h MET 48 N 0.95 0.23 0.00 0.00 2.86 0.24 -3.42 114.93 115.79 3kuk h MET 48 Ca 0.25 -0.40 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 3kuk h MET 48 Cb -0.09 0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3kuk h MET 48 CO -0.05 1.07 0.00 1.19 1.06 0.00 0.00 176.91 180.17 3kuk n PHE 49 N -3.41 0.00 0.24 -0.22 3.01 0.11 -4.85 117.46 112.34 3kuk n PHE 49 Ca -0.22 -0.02 0.13 0.00 1.01 0.00 0.00 57.45 58.35 3kuk n PHE 49 Cb 1.05 -0.00 0.77 0.00 -0.01 0.00 0.00 39.48 41.29 3kuk n PHE 49 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3kuk h GLY 50 N 0.00 0.00 -0.97 1.37 0.00 -1.28 -2.39 103.07 99.81 3kuk h GLY 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kuk h GLY 50 CO 0.00 0.00 -0.13 2.09 0.00 0.00 0.00 176.54 178.50 3kuk n ASP 51 N -4.15 2.05 -4.69 0.19 3.85 -1.26 -4.53 116.55 108.01 3kuk n ASP 51 Ca -0.01 -1.58 -0.42 0.00 -0.71 0.00 0.00 54.79 52.07 3kuk n ASP 51 Cb 0.18 0.11 -0.03 0.00 -1.35 0.00 0.00 41.12 40.03 3kuk n ASP 51 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3kuk s VAL 52 N -2.17 2.85 -0.01 2.12 1.01 -0.90 -4.38 120.40 118.93 3kuk s VAL 52 Ca 0.29 0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.66 3kuk s VAL 52 Cb 0.20 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 3kuk s VAL 52 CO 0.40 0.00 0.04 0.29 0.00 0.00 0.00 175.10 175.83 3kuk n LYS 53 N 5.41 1.10 -3.86 2.72 4.76 0.16 -4.57 118.16 123.87 3kuk n LYS 53 Ca 0.16 -0.02 -0.29 0.00 -2.87 0.00 0.00 58.31 55.29 3kuk n LYS 53 Cb 0.40 -1.06 -0.16 0.00 -1.84 0.00 0.00 35.03 32.36 3kuk n LYS 53 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3kuk s PHE 54 N -2.15 1.77 -0.28 2.13 0.40 0.11 -1.45 117.98 118.51 3kuk s PHE 54 Ca -0.01 -1.27 -0.08 0.00 -0.60 0.00 0.00 56.93 54.97 3kuk s PHE 54 Cb 0.01 -1.33 -0.01 0.00 0.51 0.00 0.00 43.02 42.20 3kuk s PHE 54 CO 0.11 -0.67 0.10 0.08 0.70 0.00 0.00 175.22 175.53 3kuk s VAL 55 N 1.61 4.32 -0.03 -0.44 1.01 0.50 -0.76 120.40 126.61 3kuk s VAL 55 Ca -0.02 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.64 3kuk s VAL 55 Cb -0.17 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 3kuk s VAL 55 CO -0.07 0.21 -0.10 0.00 0.00 0.00 0.00 175.10 175.13 3kuk s VAL 57 N -0.87 0.64 0.20 0.00 -7.23 -0.38 0.07 120.40 112.83 3kuk s VAL 57 Ca 0.14 -1.34 -0.23 0.00 -1.81 0.00 0.00 61.98 58.74 3kuk s VAL 57 Cb -0.11 -0.95 0.05 0.00 0.56 0.00 0.00 36.38 35.93 3kuk s VAL 57 CO 0.04 -0.51 0.76 -0.83 -0.31 0.00 0.00 175.10 174.25 3kuk s GLY 58 N -2.01 -0.28 -0.00 2.32 0.00 0.07 -1.17 107.32 106.26 3kuk s GLY 58 Ca -0.03 0.09 -0.25 0.00 0.00 0.00 0.00 44.72 44.52 3kuk s GLY 58 CO -0.01 0.03 1.34 -1.33 0.00 0.00 0.00 173.10 173.13 3kuk h GLY 59 N 2.00 -0.02 -4.97 0.20 0.00 -1.82 0.75 103.07 99.21 3kuk h GLY 59 Ca -0.24 0.01 -0.56 0.00 0.00 0.00 0.00 47.33 46.54 3kuk h GLY 59 CO 0.28 -0.01 0.04 -0.45 0.00 0.00 0.00 176.54 176.40 3kuk s SER 60 N -5.59 6.98 0.46 0.19 0.15 -1.26 -2.43 113.70 112.22 3kuk s SER 60 Ca -0.15 1.18 0.20 0.00 0.70 0.00 0.00 55.95 57.87 3kuk s SER 60 Cb 0.02 -2.39 1.13 0.00 -1.71 0.00 0.00 66.02 63.07 3kuk s SER 60 CO 0.67 -0.01 1.99 -0.65 1.20 0.00 0.00 173.24 176.43 3kuk h PRO 61 N 6.23 0.00 0.13 5.44 0.11 -1.95 -2.37 132.00 139.59 3kuk h PRO 61 Ca -0.43 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 3kuk h PRO 61 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3kuk h PRO 61 CO 0.73 0.19 -0.06 0.77 -0.21 0.00 0.00 178.00 179.42 3kuk h SER 62 N 0.00 -0.14 -0.89 -2.05 0.02 -2.00 -2.54 113.55 105.95 3kuk h SER 62 Ca -0.00 -0.38 0.14 0.00 -0.84 0.00 0.00 61.79 60.70 3kuk h SER 62 Cb 0.40 0.04 -0.09 0.00 0.14 0.00 0.00 62.40 62.89 3kuk h SER 62 CO 0.03 0.35 0.50 0.03 -1.14 0.00 0.00 176.83 176.60 3kuk h ARG 63 N -0.70 0.70 -0.01 3.45 2.47 -1.95 -1.02 114.38 117.32 3kuk h ARG 63 Ca -0.02 -0.04 -0.20 0.00 -1.26 0.00 0.00 59.98 58.46 3kuk h ARG 63 Cb 0.52 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.67 3kuk h ARG 63 CO 0.03 0.47 -0.85 0.52 0.56 0.00 0.00 179.97 180.70 3kuk h MET 64 N 0.73 0.27 -0.29 0.04 2.86 -1.46 0.92 114.93 118.00 3kuk h MET 64 Ca 0.47 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 3kuk h MET 64 Cb 0.62 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 3kuk h MET 64 CO -0.33 0.97 0.13 -0.22 1.06 0.00 0.00 176.91 178.52 3kuk h LYS 65 N 0.16 0.43 -0.85 1.72 3.64 -1.03 -2.12 116.57 118.51 3kuk h LYS 65 Ca -0.05 -0.07 0.13 0.00 -1.27 0.00 0.00 60.65 59.39 3kuk h LYS 65 Cb 1.46 -0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 33.12 3kuk h LYS 65 CO 0.14 0.43 0.46 0.00 -2.27 0.00 0.00 179.45 178.21 3kuk h ALA 66 N 0.97 1.27 0.32 5.00 0.00 -0.88 -2.03 119.26 123.91 3kuk h ALA 66 Ca 0.10 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3kuk h ALA 66 Cb 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3kuk h ALA 66 CO -0.01 -0.02 -0.15 0.35 0.00 0.00 0.00 179.25 179.41 3kuk h PHE 67 N 0.69 -0.40 -0.12 0.00 3.04 -0.47 -1.05 116.94 118.64 3kuk h PHE 67 Ca 0.45 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.43 3kuk h PHE 67 Cb 0.57 0.13 -0.00 0.00 2.56 0.00 0.00 35.95 39.21 3kuk h PHE 67 CO -0.08 -0.11 0.12 0.97 -2.02 0.00 0.00 178.31 177.19 3kuk h ILE 68 N -0.67 0.63 -0.03 1.41 6.09 -1.17 0.21 117.51 123.98 3kuk h ILE 68 Ca -0.04 0.00 -0.06 0.00 -1.37 0.00 0.00 64.86 63.39 3kuk h ILE 68 Cb 0.47 0.91 0.00 0.00 0.47 0.00 0.00 36.82 38.67 3kuk h ILE 68 CO 0.07 0.00 -0.21 0.11 -3.07 0.00 0.00 178.15 175.05 3kuk h LYS 69 N 0.00 0.19 -0.21 2.19 1.57 -0.97 -2.00 116.57 117.34 3kuk h LYS 69 Ca 0.06 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3kuk h LYS 69 Cb 0.29 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3kuk h LYS 69 CO -0.00 0.85 0.10 -0.92 -0.57 0.00 0.00 179.45 178.91 3kuk h TYR 70 N -0.42 0.19 0.30 -1.35 3.20 -0.23 -2.75 116.97 115.91 3kuk h TYR 70 Ca -0.02 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 3kuk h TYR 70 Cb 0.91 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.11 3kuk h TYR 70 CO 0.16 0.10 -0.27 0.28 -1.64 0.00 0.00 178.16 176.79 3kuk h VAL 71 N 0.22 0.44 -0.91 1.81 2.07 -0.69 -1.81 116.25 117.37 3kuk h VAL 71 Ca 0.09 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.87 3kuk h VAL 71 Cb 0.03 0.44 -0.15 0.00 -1.52 0.00 0.00 31.29 30.08 3kuk h VAL 71 CO -0.06 0.00 0.25 0.00 0.02 0.00 0.00 177.57 177.77 3kuk h ALA 72 N 0.02 1.37 0.06 1.67 0.00 -1.24 -0.16 119.26 120.98 3kuk h ALA 72 Ca -0.02 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3kuk h ALA 72 Cb 0.53 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3kuk h ALA 72 CO -0.03 -0.53 -0.03 0.52 0.00 0.00 0.00 179.25 179.18 3kuk h MET 73 N 0.17 -0.08 0.00 0.00 2.07 -1.17 0.28 114.93 116.21 3kuk h MET 73 Ca 0.59 0.01 0.00 0.00 -2.07 0.00 0.00 59.70 58.23 3kuk h MET 73 Cb 1.25 0.02 0.00 0.00 -1.87 0.00 0.00 31.60 31.00 3kuk h MET 73 CO -0.70 0.39 0.20 0.93 1.07 0.00 0.00 176.91 178.79 3kuk h GLU 74 N -0.58 0.00 -0.32 1.72 4.39 -0.27 0.36 114.58 119.88 3kuk h GLU 74 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3kuk h GLU 74 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 3kuk h GLU 74 CO 0.01 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.14 3kuk n LEU 75 N -2.56 3.03 -3.42 1.33 4.77 -0.23 -5.02 117.00 114.91 3kuk n LEU 75 Ca -0.02 -2.17 -0.20 0.00 -0.03 0.00 0.00 56.01 53.59 3kuk n LEU 75 Cb 0.24 -0.27 0.06 0.00 -2.33 0.00 0.00 43.42 41.12 3kuk n LEU 75 CO 0.12 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 3kuk n GLY 76 N 0.30 -0.97 0.26 -0.72 0.00 0.12 -4.92 105.19 99.26 3kuk n GLY 76 Ca 0.13 0.47 0.03 0.00 0.00 0.00 0.00 46.02 46.64 3kuk n GLY 76 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kuk n PHE 77 N -3.66 0.14 -2.92 1.61 3.01 0.89 -5.01 117.46 111.52 3kuk n PHE 77 Ca -0.12 -0.33 -0.41 0.00 1.01 0.00 0.00 57.45 57.60 3kuk n PHE 77 Cb 0.62 -0.03 -0.04 0.00 -0.01 0.00 0.00 39.48 40.03 3kuk n PHE 77 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kuk s ALA 78 N -0.81 3.30 -0.40 4.37 0.00 -1.25 -4.93 121.76 122.04 3kuk s ALA 78 Ca 0.09 0.25 0.05 0.00 0.00 0.00 0.00 51.96 52.35 3kuk s ALA 78 Cb 0.05 -3.10 0.32 0.00 0.00 0.00 0.00 23.12 20.38 3kuk s ALA 78 CO 0.07 -0.20 1.23 0.00 0.00 0.00 0.00 175.76 176.86 3kuk n ALA 82 N 3.96 -1.93 -2.60 0.00 0.00 -1.26 -5.09 120.51 113.59 3kuk n ALA 82 Ca 0.02 -0.97 -0.33 0.00 0.00 0.00 0.00 53.44 52.16 3kuk n ALA 82 Cb 0.51 -2.07 -0.11 0.00 0.00 0.00 0.00 19.45 17.78 3kuk n ALA 82 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kuk s ASP 83 N -0.81 4.70 -0.34 0.00 3.68 -1.26 -5.09 116.67 117.56 3kuk s ASP 83 Ca 0.22 -0.05 0.02 0.00 2.13 0.00 0.00 52.55 54.87 3kuk s ASP 83 Cb 0.28 -1.17 0.10 0.00 -1.45 0.00 0.00 42.92 40.69 3kuk s ASP 83 CO -0.13 0.33 0.09 -0.31 0.13 0.00 0.00 175.17 175.28 3kuk s TYR 84 N -0.89 2.82 0.16 -5.34 2.02 -1.26 -5.11 117.35 109.75 3kuk s TYR 84 Ca 0.14 -2.47 -0.30 0.00 -0.37 0.00 0.00 57.07 54.08 3kuk s TYR 84 Cb -0.11 -2.38 -0.07 0.00 -0.40 0.00 0.00 41.96 38.99 3kuk s TYR 84 CO 0.04 -0.91 1.17 -2.14 -1.57 0.00 0.00 175.55 172.14 3kuk s PRO 85 N 1.13 4.51 -0.32 -1.71 0.02 -1.26 -4.99 135.00 132.38 3kuk s PRO 85 Ca 0.11 1.81 -0.29 0.00 0.02 0.00 0.00 61.00 62.65 3kuk s PRO 85 Cb -0.19 -3.27 -0.01 0.00 0.02 0.00 0.00 34.50 31.06 3kuk s PRO 85 CO -0.14 -0.07 1.51 1.21 -0.33 0.00 0.00 177.00 179.18 3kuk s ASN 86 N 0.21 6.34 0.51 2.53 2.47 -1.26 -4.63 114.94 121.11 3kuk s ASN 86 Ca 0.53 1.20 0.30 0.00 0.42 0.00 0.00 52.86 55.30 3kuk s ASN 86 Cb -0.31 -2.54 1.31 0.00 -1.45 0.00 0.00 41.25 38.27 3kuk s ASN 86 CO 0.35 -1.36 1.98 0.40 -3.72 0.00 0.00 177.10 174.75 3kuk h ILE 87 N 6.34 0.33 -0.87 -5.21 2.04 -1.23 -2.87 117.51 116.04 3kuk h ILE 87 Ca -0.30 -0.70 -0.59 0.00 1.00 0.00 0.00 64.86 64.28 3kuk h ILE 87 Cb 1.13 1.52 -0.25 0.00 -0.74 0.00 0.00 36.82 38.48 3kuk h ILE 87 CO 1.04 0.11 0.76 0.00 0.00 0.00 0.00 178.15 180.06 3kuk s GLU 89 N -3.32 4.02 0.00 0.00 0.41 -1.08 -3.11 118.70 115.61 3kuk s GLU 89 Ca 0.56 1.57 0.00 0.00 -0.41 0.00 0.00 54.97 56.70 3kuk s GLU 89 Cb 0.44 -2.47 0.00 0.00 -1.78 0.00 0.00 34.13 30.33 3kuk s GLU 89 CO -0.01 -0.28 0.00 0.41 -0.49 0.00 0.00 175.26 174.89 3kuk n GLY 90 N 0.32 0.66 3.79 -1.39 0.00 -1.26 -4.93 105.19 102.38 3kuk n GLY 90 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 3kuk n GLY 90 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3kuk s THR 91 N -2.00 0.00 0.00 2.61 -1.32 -1.18 -4.84 115.64 108.91 3kuk s THR 91 Ca 0.00 -0.76 0.08 0.00 -1.21 0.00 0.00 61.69 59.80 3kuk s THR 91 Cb 0.00 -2.13 0.13 0.00 -1.51 0.00 0.00 72.50 68.99 3kuk s THR 91 CO 0.00 0.00 1.00 -0.90 -2.21 0.00 0.00 174.62 172.51 3kuk n ASP 92 N -0.59 0.24 -0.02 8.08 3.85 -1.26 -4.85 116.55 122.01 3kuk n ASP 92 Ca -0.05 -1.91 -0.13 0.00 -0.71 0.00 0.00 54.79 51.99 3kuk n ASP 92 Cb 0.60 -0.19 -0.09 0.00 -1.35 0.00 0.00 41.12 40.10 3kuk n ASP 92 CO 0.00 0.00 0.00 0.03 -1.01 0.00 0.00 177.20 176.22 3kuk h ARG 93 N 0.29 0.08 -4.26 0.11 2.47 -1.92 -3.47 114.38 107.68 3kuk h ARG 93 Ca -0.09 -0.03 -0.15 0.00 -1.26 0.00 0.00 59.98 58.44 3kuk h ARG 93 Cb 1.51 -0.00 -0.17 0.00 -1.65 0.00 0.00 29.97 29.66 3kuk h ARG 93 CO 0.02 0.44 -0.69 0.71 0.56 0.00 0.00 179.97 181.01 3kuk s TYR 94 N -4.66 0.53 0.01 3.04 1.51 -1.26 -4.78 117.35 111.73 3kuk s TYR 94 Ca -0.15 -0.91 0.06 0.00 -1.01 0.00 0.00 57.07 55.06 3kuk s TYR 94 Cb 0.03 -0.37 -0.03 0.00 -0.11 0.00 0.00 41.96 41.49 3kuk s TYR 94 CO 0.69 -0.29 -0.16 0.00 -1.11 0.00 0.00 175.55 174.67 3kuk s ALA 95 N -3.24 2.63 -0.00 3.71 0.00 -1.26 -4.77 121.76 118.82 3kuk s ALA 95 Ca 0.02 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 50.88 3kuk s ALA 95 Cb 0.03 -0.83 -0.00 0.00 0.00 0.00 0.00 23.12 22.32 3kuk s ALA 95 CO -0.07 0.57 -0.03 1.41 0.00 0.00 0.00 175.76 177.64 3kuk s MET 96 N -1.18 0.28 0.05 0.00 0.00 -1.26 -1.25 119.30 115.94 3kuk s MET 96 Ca 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 55.69 55.69 3kuk s MET 96 Cb -0.11 -0.27 -0.04 0.00 0.00 0.00 0.00 34.83 34.41 3kuk s MET 96 CO 0.04 0.07 -0.02 -0.06 0.00 0.00 0.00 175.02 175.05 3kuk s PHE 97 N -0.08 0.48 -0.14 4.11 0.40 -0.27 -0.59 117.98 121.90 3kuk s PHE 97 Ca 0.01 -1.00 -0.08 0.00 -0.60 0.00 0.00 56.93 55.26 3kuk s PHE 97 Cb -0.01 -0.36 0.05 0.00 0.51 0.00 0.00 43.02 43.21 3kuk s PHE 97 CO -0.00 -0.37 0.33 0.21 0.70 0.00 0.00 175.22 176.09 3kuk s LYS 98 N -3.69 0.31 -0.04 0.44 2.20 -1.26 -1.68 119.74 116.03 3kuk s LYS 98 Ca 0.05 0.65 -0.01 0.00 -0.36 0.00 0.00 55.97 56.30 3kuk s LYS 98 Cb 0.06 -0.05 0.03 0.00 -1.51 0.00 0.00 37.83 36.36 3kuk s LYS 98 CO -0.09 -0.15 0.03 0.08 -0.36 0.00 0.00 175.35 174.85 3kuk s VAL 99 N 1.25 0.05 0.00 4.02 1.01 -1.01 -4.95 120.40 120.77 3kuk s VAL 99 Ca -0.09 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.12 3kuk s VAL 99 Cb -0.09 -0.21 0.00 0.00 0.00 0.00 0.00 36.38 36.08 3kuk s VAL 99 CO -0.10 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.76 3kuk n GLY 100 N 4.63 2.81 0.90 4.51 0.00 -1.26 -1.74 105.19 115.04 3kuk n GLY 100 Ca -0.17 -0.37 0.03 0.00 0.00 0.00 0.00 46.02 45.51 3kuk n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kuk n PRO 101 N 13.21 2.26 -3.84 1.61 -0.04 -1.26 -4.66 135.00 142.28 3kuk n PRO 101 Ca 0.00 -1.12 -0.36 0.00 -0.04 0.00 0.00 63.50 61.98 3kuk n PRO 101 Cb 0.00 -1.65 -0.13 0.00 -0.04 0.00 0.00 33.50 31.68 3kuk n PRO 101 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3kuk s VAL 102 N -1.65 3.73 -0.16 0.52 1.01 -0.71 0.36 120.40 123.50 3kuk s VAL 102 Ca 0.20 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 3kuk s VAL 102 Cb 0.14 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 3kuk s VAL 102 CO 0.07 0.34 0.01 -0.22 0.00 0.00 0.00 175.10 175.31 3kuk s LEU 103 N 1.52 3.56 -0.13 3.92 2.96 0.06 -2.41 118.68 128.15 3kuk s LEU 103 Ca 0.05 0.00 0.02 0.00 -0.22 0.00 0.00 54.13 53.99 3kuk s LEU 103 Cb -0.15 -1.87 0.00 0.00 0.50 0.00 0.00 46.19 44.67 3kuk s LEU 103 CO -0.00 0.20 -0.20 -0.55 -1.32 0.00 0.00 176.35 174.48 3kuk s SER 104 N 0.21 3.34 0.02 3.68 0.15 -0.68 -0.32 113.70 120.10 3kuk s SER 104 Ca 0.01 -0.53 0.03 0.00 0.70 0.00 0.00 55.95 56.16 3kuk s SER 104 Cb -0.13 -1.48 -0.02 0.00 -1.71 0.00 0.00 66.02 62.68 3kuk s SER 104 CO 0.02 0.11 -0.09 -0.69 1.20 0.00 0.00 173.24 173.79 3kuk s VAL 105 N 0.63 0.67 0.41 4.45 1.01 0.11 -1.11 120.40 126.57 3kuk s VAL 105 Ca -0.10 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.04 3kuk s VAL 105 Cb -0.16 -0.64 -0.06 0.00 0.00 0.00 0.00 36.38 35.53 3kuk s VAL 105 CO 0.02 -0.08 0.76 -0.55 0.00 0.00 0.00 175.10 175.25 3kuk s SER 106 N -0.92 6.46 0.00 3.32 0.15 -0.38 -0.75 113.70 121.58 3kuk s SER 106 Ca -0.02 1.06 0.00 0.00 0.70 0.00 0.00 55.95 57.69 3kuk s SER 106 Cb -0.07 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 3kuk s SER 106 CO 0.00 -0.43 0.33 0.00 1.20 0.00 0.00 173.24 174.35 3kuk n HIS 107 N -1.49 0.00 -4.82 3.44 1.44 0.26 -4.56 115.22 109.48 3kuk n HIS 107 Ca 0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.73 3kuk n HIS 107 Cb 0.54 0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.66 3kuk n HIS 107 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3kuk n GLY 108 N 0.00 0.97 3.36 -1.39 0.00 -1.02 -3.00 105.19 104.10 3kuk n GLY 108 Ca 0.00 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 3kuk n GLY 108 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kuk s MET 109 N 0.00 2.61 0.00 1.61 -1.94 -1.26 -4.25 119.30 116.07 3kuk s MET 109 Ca 0.00 -0.81 0.00 0.00 -1.71 0.00 0.00 55.69 53.17 3kuk s MET 109 Cb 0.00 -2.29 0.00 0.00 2.01 0.00 0.00 34.83 34.55 3kuk s MET 109 CO 0.00 0.45 0.00 0.41 -0.01 0.00 0.00 175.02 175.87 3kuk n GLY 110 N 2.77 2.54 0.21 -0.03 0.00 -1.23 -4.45 105.19 105.00 3kuk n GLY 110 Ca -0.17 -1.78 -0.02 0.00 0.00 0.00 0.00 46.02 44.05 3kuk n GLY 110 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kuk h VAL 111 N 0.00 0.63 -0.34 1.61 2.07 -1.83 -1.99 116.25 116.40 3kuk h VAL 111 Ca 0.00 -0.06 -0.16 0.00 0.82 0.00 0.00 66.70 67.31 3kuk h VAL 111 Cb 0.00 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3kuk h VAL 111 CO 0.00 0.03 -0.40 -0.65 0.02 0.00 0.00 177.57 176.57 3kuk h PRO 112 N 0.17 0.84 0.11 1.57 0.11 -1.91 0.10 132.00 132.99 3kuk h PRO 112 Ca 0.27 -0.45 -0.00 0.00 0.11 0.00 0.00 66.00 65.93 3kuk h PRO 112 Cb 0.39 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.52 3kuk h PRO 112 CO -0.40 1.09 -0.08 1.03 -0.21 0.00 0.00 178.00 179.43 3kuk h SER 113 N 0.69 -0.20 0.15 -2.05 0.87 -1.71 -1.44 113.55 109.86 3kuk h SER 113 Ca 0.05 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.55 3kuk h SER 113 Cb 0.97 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.99 3kuk h SER 113 CO 0.09 -0.12 -0.29 -0.29 -0.53 0.00 0.00 176.83 175.69 3kuk h ILE 114 N -0.19 1.25 -0.84 2.23 2.10 -1.27 -2.63 117.51 118.16 3kuk h ILE 114 Ca -0.01 -1.20 -0.03 0.00 1.08 0.00 0.00 64.86 64.70 3kuk h ILE 114 Cb 0.17 1.48 -0.04 0.00 -1.09 0.00 0.00 36.82 37.34 3kuk h ILE 114 CO -0.00 0.36 0.40 0.00 -1.08 0.00 0.00 178.15 177.83 3kuk h ALA 115 N 1.50 1.11 -0.03 0.18 0.00 -0.58 0.25 119.26 121.70 3kuk h ALA 115 Ca 0.03 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3kuk h ALA 115 Cb 0.62 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3kuk h ALA 115 CO 0.04 0.67 -0.00 0.82 0.00 0.00 0.00 179.25 180.78 3kuk h ILE 116 N 1.20 1.26 -0.91 0.00 2.04 -1.15 -1.62 117.51 118.34 3kuk h ILE 116 Ca 0.29 -0.78 0.18 0.00 1.00 0.00 0.00 64.86 65.55 3kuk h ILE 116 Cb 0.13 1.73 -0.11 0.00 -0.74 0.00 0.00 36.82 37.84 3kuk h ILE 116 CO -0.03 0.21 0.48 -0.03 0.00 0.00 0.00 178.15 178.77 3kuk h MET 117 N -0.27 0.58 0.04 2.37 4.05 -1.08 -2.51 114.93 118.11 3kuk h MET 117 Ca 0.01 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.39 3kuk h MET 117 Cb 0.33 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.00 3kuk h MET 117 CO 0.00 0.38 -0.02 -0.07 0.23 0.00 0.00 176.91 177.44 3kuk h LEU 118 N 0.60 -0.04 -0.55 3.39 3.38 -0.24 0.14 115.31 121.99 3kuk h LEU 118 Ca 0.53 -0.33 0.11 0.00 0.09 0.00 0.00 57.88 58.28 3kuk h LEU 118 Cb 0.85 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.52 3kuk h LEU 118 CO -0.42 0.31 0.04 0.45 0.09 0.00 0.00 178.44 178.91 3kuk h HIS 119 N -0.40 0.04 0.01 1.13 3.86 -1.01 0.18 115.15 118.96 3kuk h HIS 119 Ca -0.01 0.04 -0.21 0.00 -1.16 0.00 0.00 60.37 59.03 3kuk h HIS 119 Cb 0.37 0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.90 3kuk h HIS 119 CO 0.04 -0.09 -0.93 0.93 0.86 0.00 0.00 177.93 178.74 3kuk h GLU 120 N 0.16 0.28 -0.07 2.45 5.08 -1.36 -2.71 114.58 118.41 3kuk h GLU 120 Ca 0.28 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3kuk h GLU 120 Cb 0.43 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 3kuk h GLU 120 CO -0.43 1.03 -0.01 1.25 -1.00 0.00 0.00 179.01 179.85 3kuk h LEU 121 N 0.15 0.14 -1.18 1.33 5.85 -0.18 -1.01 115.31 120.41 3kuk h LEU 121 Ca -0.06 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.30 3kuk h LEU 121 Cb 1.57 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.53 3kuk h LEU 121 CO 0.15 0.46 0.50 0.40 -0.34 0.00 0.00 178.44 179.61 3kuk h ILE 122 N -0.19 1.21 -0.02 4.05 2.04 -0.70 -0.97 117.51 122.93 3kuk h ILE 122 Ca 0.02 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 3kuk h ILE 122 Cb 0.40 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 3kuk h ILE 122 CO 0.01 0.21 0.01 0.11 0.00 0.00 0.00 178.15 178.49 3kuk h LYS 123 N 1.08 0.03 -0.76 2.37 1.57 -1.42 -2.37 116.57 117.08 3kuk h LYS 123 Ca 0.29 -0.01 0.17 0.00 -1.87 0.00 0.00 60.65 59.23 3kuk h LYS 123 Cb -0.09 -0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.11 3kuk h LYS 123 CO -0.06 0.22 0.19 1.25 -0.57 0.00 0.00 179.45 180.48 3kuk h LEU 124 N -0.16 0.01 -0.87 2.94 6.46 -0.55 0.14 115.31 123.30 3kuk h LEU 124 Ca 0.01 0.15 -0.06 0.00 -0.12 0.00 0.00 57.88 57.86 3kuk h LEU 124 Cb 0.20 0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.31 3kuk h LEU 124 CO -0.00 -0.05 0.13 -0.07 -0.62 0.00 0.00 178.44 177.83 3kuk h LEU 125 N 0.27 0.92 -1.01 2.25 3.38 -1.04 -1.42 115.31 118.66 3kuk h LEU 125 Ca 0.43 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 58.12 3kuk h LEU 125 Cb 0.75 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3kuk h LEU 125 CO -0.53 0.90 -0.47 0.22 0.09 0.00 0.00 178.44 178.66 3kuk h TYR 126 N 0.93 0.00 -0.00 1.13 5.03 -0.45 -1.55 116.97 122.05 3kuk h TYR 126 Ca 0.20 0.00 -0.17 0.00 2.58 0.00 0.00 58.73 61.33 3kuk h TYR 126 Cb 0.36 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.62 3kuk h TYR 126 CO 0.02 0.47 -0.80 0.45 -1.32 0.00 0.00 178.16 176.98 3kuk h HIS 127 N 0.00 0.08 -0.00 -3.82 3.86 -0.28 -2.53 115.15 112.46 3kuk h HIS 127 Ca -0.00 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 3kuk h HIS 127 Cb 0.88 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.34 3kuk h HIS 127 CO 0.00 0.83 -0.05 0.00 0.86 0.00 0.00 177.93 179.57 3kuk n ALA 128 N -2.41 2.49 -3.72 2.45 0.00 -0.58 -4.17 120.51 114.56 3kuk n ALA 128 Ca -0.01 -0.14 -0.24 0.00 0.00 0.00 0.00 53.44 53.05 3kuk n ALA 128 Cb 0.77 -1.43 0.03 0.00 0.00 0.00 0.00 19.45 18.81 3kuk n ALA 128 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kuk n HIS 129 N -1.44 -1.89 -1.65 0.00 8.25 -0.62 -4.40 115.22 113.47 3kuk n HIS 129 Ca 0.08 0.73 -0.29 0.00 -0.26 0.00 0.00 57.72 57.98 3kuk n HIS 129 Cb 0.32 -4.00 0.10 0.00 1.12 0.00 0.00 29.99 27.53 3kuk n HIS 129 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kuk s SER 131 N -4.13 -0.15 -1.33 0.00 1.04 -1.26 -2.50 113.70 105.37 3kuk s SER 131 Ca 0.62 0.00 -0.03 0.00 0.48 0.00 0.00 55.95 57.02 3kuk s SER 131 Cb -0.14 0.31 0.02 0.00 0.10 0.00 0.00 66.02 66.31 3kuk s SER 131 CO 0.53 -0.47 0.84 0.61 0.98 0.00 0.00 173.24 175.72 3kuk n GLY 132 N 1.15 -0.36 3.87 7.32 0.00 -0.37 -4.80 105.19 112.00 3kuk n GLY 132 Ca -0.21 0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 3kuk n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kuk s VAL 133 N -3.52 4.90 -0.08 1.61 1.01 -1.26 -4.82 120.40 118.24 3kuk s VAL 133 Ca 0.17 0.52 0.01 0.00 0.00 0.00 0.00 61.98 62.67 3kuk s VAL 133 Cb -0.08 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.70 3kuk s VAL 133 CO 0.80 -0.10 -0.09 -0.89 0.00 0.00 0.00 175.10 174.82 3kuk s THR 134 N -1.86 0.94 -0.19 3.92 2.01 -0.53 -4.35 115.64 115.59 3kuk s THR 134 Ca 0.48 -0.32 -0.11 0.00 0.31 0.00 0.00 61.69 62.06 3kuk s THR 134 Cb -0.11 -0.92 -0.05 0.00 0.01 0.00 0.00 72.50 71.43 3kuk s THR 134 CO 0.21 0.33 0.16 -0.76 -0.69 0.00 0.00 174.62 173.87 3kuk s LEU 135 N 1.11 4.23 -0.07 4.42 2.01 -0.78 -0.37 118.68 129.23 3kuk s LEU 135 Ca -0.07 0.30 0.00 0.00 0.01 0.00 0.00 54.13 54.38 3kuk s LEU 135 Cb -0.14 -2.15 0.02 0.00 0.01 0.00 0.00 46.19 43.93 3kuk s LEU 135 CO -0.01 0.18 -0.05 -0.63 1.01 0.00 0.00 176.35 176.85 3kuk s ILE 136 N 0.27 0.72 -0.52 -0.59 1.01 0.79 -1.34 121.20 121.54 3kuk s ILE 136 Ca 0.10 -0.16 -0.24 0.00 0.00 0.00 0.00 60.65 60.35 3kuk s ILE 136 Cb -0.11 -0.75 0.04 0.00 0.01 0.00 0.00 42.46 41.64 3kuk s ILE 136 CO -0.00 0.29 0.92 -0.60 0.00 0.00 0.00 174.94 175.54 3kuk s ARG 137 N 1.31 3.37 -0.43 2.79 3.52 -0.17 -1.25 118.95 128.08 3kuk s ARG 137 Ca -0.04 -0.19 -0.17 0.00 -0.13 0.00 0.00 55.73 55.20 3kuk s ARG 137 Cb -0.14 -4.02 0.03 0.00 -1.56 0.00 0.00 34.95 29.26 3kuk s ARG 137 CO -0.03 -1.40 0.46 0.96 -0.81 0.00 0.00 175.30 174.48 3kuk s ILE 138 N 3.82 5.07 0.02 4.11 -4.36 -0.31 -0.73 121.20 128.82 3kuk s ILE 138 Ca 0.31 -0.39 0.00 0.00 -0.26 0.00 0.00 60.65 60.32 3kuk s ILE 138 Cb -0.12 -4.07 -0.00 0.00 1.25 0.00 0.00 42.46 39.52 3kuk s ILE 138 CO 0.21 -0.47 0.02 0.61 0.24 0.00 0.00 174.94 175.55 3kuk n GLY 139 N 5.12 3.98 3.49 6.27 0.00 -0.38 -4.31 105.19 119.36 3kuk n GLY 139 Ca -0.07 -1.72 -0.24 0.00 0.00 0.00 0.00 46.02 43.98 3kuk n GLY 139 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kuk s THR 140 N -2.00 2.27 0.36 2.61 -4.23 -1.26 -2.11 115.64 111.27 3kuk s THR 140 Ca 0.02 -2.29 -0.16 0.00 -1.18 0.00 0.00 61.69 58.08 3kuk s THR 140 Cb 0.00 -2.44 0.04 0.00 1.34 0.00 0.00 72.50 71.45 3kuk s THR 140 CO 0.02 -0.32 0.74 -0.94 -0.54 0.00 0.00 174.62 173.57 3kuk s SER 141 N -3.53 0.02 -0.12 3.99 1.04 -0.49 -4.83 113.70 109.77 3kuk s SER 141 Ca 0.30 -1.06 -0.06 0.00 0.48 0.00 0.00 55.95 55.62 3kuk s SER 141 Cb -0.01 0.80 -0.04 0.00 0.10 0.00 0.00 66.02 66.87 3kuk s SER 141 CO 0.15 -1.57 0.10 -0.83 0.98 0.00 0.00 173.24 172.06 3kuk s GLY 142 N -3.05 2.05 0.16 7.32 0.00 -0.34 -1.30 107.32 112.15 3kuk s GLY 142 Ca 0.16 -0.70 -0.02 0.00 0.00 0.00 0.00 44.72 44.16 3kuk s GLY 142 CO 0.11 -0.34 0.36 -0.32 0.00 0.00 0.00 173.10 172.92 3kuk s GLY 143 N -0.74 2.03 -0.26 0.20 0.00 -0.56 0.04 107.32 108.04 3kuk s GLY 143 Ca 0.13 -0.71 0.02 0.00 0.00 0.00 0.00 44.72 44.16 3kuk s GLY 143 CO 0.03 -0.65 -0.10 -0.42 0.00 0.00 0.00 173.10 171.95 3kuk s ILE 144 N -1.74 2.31 -1.20 0.90 1.01 0.51 -0.15 121.20 122.83 3kuk s ILE 144 Ca 0.39 -1.52 -0.01 0.00 0.00 0.00 0.00 60.65 59.51 3kuk s ILE 144 Cb -0.12 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 40.04 3kuk s ILE 144 CO 0.27 0.01 0.10 0.61 0.00 0.00 0.00 174.94 175.93 3kuk n GLY 145 N 4.48 -0.21 3.03 6.18 0.00 -1.26 -4.72 105.19 112.69 3kuk n GLY 145 Ca -0.15 -0.25 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 3kuk n GLY 145 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kuk s LEU 146 N -4.31 1.66 0.19 0.99 1.43 -1.26 -5.12 118.68 112.26 3kuk s LEU 146 Ca 0.05 -0.31 -0.32 0.00 -1.03 0.00 0.00 54.13 52.52 3kuk s LEU 146 Cb -0.02 -0.85 -0.15 0.00 0.03 0.00 0.00 46.19 45.20 3kuk s LEU 146 CO 0.06 0.04 1.17 1.21 0.23 0.00 0.00 176.35 179.06 3kuk n GLU 147 N 3.80 1.25 -1.61 1.70 2.13 -1.26 -4.45 120.64 122.20 3kuk n GLU 147 Ca -0.23 0.45 -0.39 0.00 0.66 0.00 0.00 57.16 57.65 3kuk n GLU 147 Cb 0.52 -1.94 0.04 0.00 0.27 0.00 0.00 31.44 30.32 3kuk n GLU 147 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3kuk n PRO 148 N 1.68 1.09 0.00 5.31 -0.02 -1.26 -2.28 135.00 139.52 3kuk n PRO 148 Ca 0.14 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 3kuk n PRO 148 Cb 0.26 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3kuk n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kuk n GLY 149 N 1.24 1.68 3.73 -1.23 0.00 -0.00 -5.01 105.19 105.59 3kuk n GLY 149 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3kuk n GLY 149 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kuk s SER 150 N -2.05 6.68 -0.18 1.61 0.01 -0.97 -4.58 113.70 114.22 3kuk s SER 150 Ca 0.00 2.56 -0.17 0.00 1.31 0.00 0.00 55.95 59.64 3kuk s SER 150 Cb 0.00 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 3kuk s SER 150 CO 0.00 -0.73 0.46 -0.69 0.41 0.00 0.00 173.24 172.69 3kuk s VAL 151 N 0.72 5.16 -0.05 3.43 1.01 -0.53 -0.19 120.40 129.95 3kuk s VAL 151 Ca 0.65 0.85 -0.05 0.00 0.00 0.00 0.00 61.98 63.42 3kuk s VAL 151 Cb -0.41 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 3kuk s VAL 151 CO 0.35 0.24 0.19 -0.69 0.00 0.00 0.00 175.10 175.19 3kuk s VAL 152 N 1.28 5.43 -0.19 2.92 1.01 0.31 -1.41 120.40 129.74 3kuk s VAL 152 Ca 0.22 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.24 3kuk s VAL 152 Cb -0.15 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 3kuk s VAL 152 CO 0.09 0.45 -0.05 -0.63 0.00 0.00 0.00 175.10 174.96 3kuk s ILE 153 N -1.20 3.50 -0.28 2.22 1.01 0.20 -1.82 121.20 124.82 3kuk s ILE 153 Ca 0.23 -0.47 -0.29 0.00 0.00 0.00 0.00 60.65 60.12 3kuk s ILE 153 Cb -0.13 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.78 3kuk s ILE 153 CO 0.12 0.45 1.29 -0.89 0.00 0.00 0.00 174.94 175.91 3kuk s THR 154 N 1.04 4.18 -0.09 2.92 2.01 -0.52 -2.37 115.64 122.81 3kuk s THR 154 Ca 0.01 1.34 -0.25 0.00 0.31 0.00 0.00 61.69 63.11 3kuk s THR 154 Cb -0.15 -4.15 -0.29 0.00 0.01 0.00 0.00 72.50 67.93 3kuk s THR 154 CO 0.00 -0.43 0.83 -0.09 -0.69 0.00 0.00 174.62 174.24 3kuk h ARG 155 N 9.09 0.18 -2.79 4.92 2.43 -1.65 -3.43 114.38 123.12 3kuk h ARG 155 Ca -0.26 -0.30 -0.31 0.00 -0.81 0.00 0.00 59.98 58.30 3kuk h ARG 155 Cb 1.10 0.11 -0.36 0.00 -0.42 0.00 0.00 29.97 30.40 3kuk h ARG 155 CO 1.02 1.14 -0.63 -1.14 -1.51 0.00 0.00 179.97 178.86 3kuk s GLN 156 N -2.35 0.12 0.32 0.20 0.74 -1.26 -2.66 119.66 114.78 3kuk s GLN 156 Ca -0.16 0.34 -0.29 0.00 0.05 0.00 0.00 55.36 55.30 3kuk s GLN 156 Cb -0.01 -0.86 -0.10 0.00 1.10 0.00 0.00 33.01 33.15 3kuk s GLN 156 CO 0.77 -0.51 1.28 0.00 -0.55 0.00 0.00 175.29 176.29 3kuk s ALA 157 N 2.31 3.49 0.03 1.58 0.00 -0.84 -2.76 121.76 125.57 3kuk s ALA 157 Ca 0.05 1.22 -0.02 0.00 0.00 0.00 0.00 51.96 53.20 3kuk s ALA 157 Cb -0.14 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 3kuk s ALA 157 CO -0.09 -0.58 0.01 0.54 0.00 0.00 0.00 175.76 175.64 3kuk s VAL 158 N -1.10 0.13 0.29 0.00 0.11 0.18 -4.36 120.40 115.65 3kuk s VAL 158 Ca 0.49 -1.09 0.00 0.00 -2.93 0.00 0.00 61.98 58.45 3kuk s VAL 158 Cb -0.39 -0.64 0.06 0.00 -1.53 0.00 0.00 36.38 33.88 3kuk s VAL 158 CO 0.51 -0.60 0.40 -0.90 -3.33 0.00 0.00 175.10 171.18 3kuk n ASP 159 N 1.13 0.57 0.00 3.54 3.85 0.96 -0.09 116.55 126.52 3kuk n ASP 159 Ca -0.21 -1.48 0.08 0.00 -0.71 0.00 0.00 54.79 52.47 3kuk n ASP 159 Cb 0.57 -0.26 0.43 0.00 -1.35 0.00 0.00 41.12 40.51 3kuk n ASP 159 CO 0.00 0.00 0.00 -2.65 -1.01 0.00 0.00 177.20 173.54 3kuk n PRO 160 N -1.74 0.31 -0.39 0.11 -0.02 -1.26 -1.37 135.00 130.64 3kuk n PRO 160 Ca 0.07 0.10 0.08 0.00 -2.02 0.00 0.00 63.50 61.72 3kuk n PRO 160 Cb 0.24 -1.50 0.24 0.00 -0.02 0.00 0.00 33.50 32.46 3kuk n PRO 160 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kuk n PHE 162 N -0.19 0.00 -3.35 0.00 0.99 -0.47 -5.00 117.46 109.44 3kuk n PHE 162 Ca 0.19 0.00 -0.38 0.00 -0.00 0.00 0.00 57.45 57.26 3kuk n PHE 162 Cb 0.78 -0.81 -0.06 0.00 -1.00 0.00 0.00 39.48 38.39 3kuk n PHE 162 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 3kuk s LYS 163 N -0.78 4.12 -0.01 -1.08 1.02 -1.26 -4.71 119.74 117.03 3kuk s LYS 163 Ca 0.00 0.61 -0.06 0.00 0.02 0.00 0.00 55.97 56.54 3kuk s LYS 163 Cb 0.00 -3.25 -0.24 0.00 -0.52 0.00 0.00 37.83 33.82 3kuk s LYS 163 CO 0.00 0.61 3.49 -2.30 -0.92 0.00 0.00 175.35 176.23 3kuk n PRO 164 N 1.93 1.94 -4.49 -1.68 -0.02 -1.26 -0.03 135.00 131.39 3kuk n PRO 164 Ca -0.11 -0.96 -0.25 0.00 -2.02 0.00 0.00 63.50 60.16 3kuk n PRO 164 Cb 0.51 -1.93 -0.13 0.00 -0.02 0.00 0.00 33.50 31.93 3kuk n PRO 164 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3kuk s GLU 165 N 0.85 1.28 -0.21 -0.52 2.02 -1.26 -1.76 118.70 119.10 3kuk s GLU 165 Ca 0.62 -1.03 0.00 0.00 0.02 0.00 0.00 54.97 54.58 3kuk s GLU 165 Cb 0.30 -1.45 0.03 0.00 0.10 0.00 0.00 34.13 33.10 3kuk s GLU 165 CO -0.01 0.36 -0.14 0.12 0.02 0.00 0.00 175.26 175.62 3kuk s PHE 166 N -0.95 2.95 -0.15 1.61 2.19 0.68 -4.50 117.98 119.81 3kuk s PHE 166 Ca 0.07 -1.67 -0.07 0.00 0.33 0.00 0.00 56.93 55.59 3kuk s PHE 166 Cb -0.09 -1.97 -0.04 0.00 -1.31 0.00 0.00 43.02 39.60 3kuk s PHE 166 CO 0.03 -0.78 0.10 -2.00 1.83 0.00 0.00 175.22 174.40 3kuk s GLU 167 N 1.29 3.73 -0.01 10.12 2.12 -1.26 -0.72 118.70 133.96 3kuk s GLU 167 Ca 0.02 -0.24 -0.02 0.00 0.36 0.00 0.00 54.97 55.09 3kuk s GLU 167 Cb -0.15 -3.21 0.00 0.00 0.26 0.00 0.00 34.13 31.03 3kuk s GLU 167 CO -0.09 0.51 0.04 -1.14 -0.54 0.00 0.00 175.26 174.05 3kuk s GLN 168 N -0.28 0.07 -0.26 4.30 0.74 0.16 -4.96 119.66 119.43 3kuk s GLN 168 Ca 0.10 0.02 -0.12 0.00 0.05 0.00 0.00 55.36 55.40 3kuk s GLN 168 Cb -0.12 0.03 -0.05 0.00 1.10 0.00 0.00 33.01 33.98 3kuk s GLN 168 CO 0.01 -0.01 0.26 0.42 -0.55 0.00 0.00 175.29 175.42 3kuk s ILE 169 N -0.08 5.27 -0.14 -2.34 1.01 -1.26 -0.14 121.20 123.51 3kuk s ILE 169 Ca -0.01 0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.98 3kuk s ILE 169 Cb -0.01 -3.59 0.02 0.00 0.01 0.00 0.00 42.46 38.89 3kuk s ILE 169 CO 0.00 0.24 -0.16 -0.69 0.00 0.00 0.00 174.94 174.34 3kuk s VAL 170 N 1.68 1.65 -1.49 2.92 1.01 -0.25 -4.69 120.40 121.23 3kuk s VAL 170 Ca 0.10 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 3kuk s VAL 170 Cb -0.15 -1.52 0.08 0.00 0.00 0.00 0.00 36.38 34.78 3kuk s VAL 170 CO 0.09 0.47 0.82 0.18 0.00 0.00 0.00 175.10 176.66 3kuk n LEU 171 N 4.59 -2.26 0.00 3.92 4.77 -1.26 -1.39 117.00 125.37 3kuk n LEU 171 Ca -0.18 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 3kuk n LEU 171 Cb 0.50 -2.46 0.00 0.00 -2.33 0.00 0.00 43.42 39.13 3kuk n LEU 171 CO 0.23 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 3kuk n GLY 172 N -1.53 2.24 3.59 -0.72 0.00 -1.26 -5.02 105.19 102.49 3kuk n GLY 172 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 3kuk n GLY 172 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kuk s LYS 173 N -0.17 2.78 0.25 1.61 0.00 -0.49 -5.07 119.74 118.64 3kuk s LYS 173 Ca 0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 55.97 55.14 3kuk s LYS 173 Cb 0.00 -2.61 -0.09 0.00 0.00 0.00 0.00 37.83 35.13 3kuk s LYS 173 CO 0.00 0.66 1.20 0.50 0.00 0.00 0.00 175.35 177.71 3kuk s ARG 174 N -0.79 4.50 0.02 1.78 3.52 -1.26 -1.09 118.95 125.62 3kuk s ARG 174 Ca 0.12 1.95 0.02 0.00 -0.13 0.00 0.00 55.73 57.69 3kuk s ARG 174 Cb -0.11 -3.18 -0.01 0.00 -1.56 0.00 0.00 34.95 30.09 3kuk s ARG 174 CO 0.01 -0.03 -0.07 -1.21 -0.81 0.00 0.00 175.30 173.20 3kuk s GLU 175 N -0.96 0.48 0.06 5.12 2.02 0.80 -4.93 118.70 121.29 3kuk s GLU 175 Ca 0.50 -0.48 0.07 0.00 0.02 0.00 0.00 54.97 55.08 3kuk s GLU 175 Cb -0.34 -0.36 -0.03 0.00 0.10 0.00 0.00 34.13 33.50 3kuk s GLU 175 CO 0.42 0.08 -0.20 0.14 0.02 0.00 0.00 175.26 175.73 3kuk s VAL 176 N -0.76 1.58 0.07 2.63 -7.23 -1.26 0.39 120.40 115.82 3kuk s VAL 176 Ca -0.04 -1.30 0.05 0.00 -1.81 0.00 0.00 61.98 58.88 3kuk s VAL 176 Cb -0.06 -1.41 -0.03 0.00 0.56 0.00 0.00 36.38 35.44 3kuk s VAL 176 CO 0.00 0.06 -0.13 -0.13 -0.31 0.00 0.00 175.10 174.59 3kuk s ARG 177 N -1.46 0.79 0.41 4.82 0.52 0.10 -4.91 118.95 119.21 3kuk s ARG 177 Ca 0.06 -0.95 -0.25 0.00 -0.52 0.00 0.00 55.73 54.07 3kuk s ARG 177 Cb -0.09 -0.73 -0.08 0.00 0.52 0.00 0.00 34.95 34.56 3kuk s ARG 177 CO 0.03 0.16 1.16 1.21 0.02 0.00 0.00 175.30 177.87 3kuk s ASN 178 N -1.79 6.50 -0.28 0.23 2.47 -1.26 -0.23 114.94 120.58 3kuk s ASN 178 Ca -0.02 2.31 0.09 0.00 0.42 0.00 0.00 52.86 55.66 3kuk s ASN 178 Cb -0.09 -2.61 0.46 0.00 -1.45 0.00 0.00 41.25 37.55 3kuk s ASN 178 CO 0.02 -0.69 1.19 0.35 -3.72 0.00 0.00 177.10 174.25 3kuk n THR 179 N -0.00 2.39 -3.03 -5.21 -2.24 -0.72 -4.30 114.28 101.16 3kuk n THR 179 Ca 0.05 -3.99 -0.39 0.00 -2.27 0.00 0.00 64.05 57.45 3kuk n THR 179 Cb 0.47 -0.85 -0.06 0.00 -2.10 0.00 0.00 70.33 67.79 3kuk n THR 179 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3kuk s ASP 180 N -3.55 7.32 0.31 3.42 1.01 -1.26 -1.98 116.67 121.93 3kuk s ASP 180 Ca 0.48 1.56 -0.00 0.00 0.71 0.00 0.00 52.55 55.29 3kuk s ASP 180 Cb 0.40 -2.47 -0.04 0.00 1.01 0.00 0.00 42.92 41.82 3kuk s ASP 180 CO 0.02 0.20 0.51 -0.76 0.21 0.00 0.00 175.17 175.35 3kuk s LEU 181 N -1.00 4.07 -0.24 1.23 1.43 -1.09 -4.89 118.68 118.20 3kuk s LEU 181 Ca 0.35 0.46 -0.36 0.00 -1.03 0.00 0.00 54.13 53.56 3kuk s LEU 181 Cb -0.22 -3.30 -0.12 0.00 0.03 0.00 0.00 46.19 42.58 3kuk s LEU 181 CO 0.25 -0.22 2.00 -0.67 0.23 0.00 0.00 176.35 177.93 3kuk n ASP 182 N -1.43 2.69 0.19 2.29 -0.08 -1.25 -4.85 116.55 114.12 3kuk n ASP 182 Ca -0.04 0.73 0.04 0.00 -1.51 0.00 0.00 54.79 54.00 3kuk n ASP 182 Cb 0.55 -1.29 0.39 0.00 2.34 0.00 0.00 41.12 43.12 3kuk n ASP 182 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 3kuk h GLU 183 N 10.40 0.00 0.02 -0.67 4.57 -1.95 -2.27 114.58 124.69 3kuk h GLU 183 Ca -0.39 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 57.58 3kuk h GLU 183 Cb 1.30 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.87 3kuk h GLU 183 CO 0.98 0.35 -0.95 0.37 -1.18 0.00 0.00 179.01 178.58 3kuk h GLN 184 N 0.00 0.10 -0.12 1.92 4.15 -2.02 -3.30 115.11 115.83 3kuk h GLN 184 Ca -0.00 -0.13 -0.15 0.00 0.77 0.00 0.00 58.65 59.14 3kuk h GLN 184 Cb 0.67 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 3kuk h GLN 184 CO 0.05 0.97 -0.56 1.25 -1.93 0.00 0.00 178.83 178.60 3kuk h LEU 185 N 0.04 0.43 -0.18 -2.39 6.46 -1.80 -2.77 115.31 115.10 3kuk h LEU 185 Ca -0.04 -0.23 -0.06 0.00 -0.12 0.00 0.00 57.88 57.43 3kuk h LEU 185 Cb 1.63 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 41.43 3kuk h LEU 185 CO 0.14 0.90 -0.13 -0.37 -0.62 0.00 0.00 178.44 178.36 3kuk h VAL 186 N 0.29 1.32 -0.62 1.05 -1.51 -1.55 -2.15 116.25 113.09 3kuk h VAL 186 Ca 0.00 -1.25 -0.05 0.00 -1.23 0.00 0.00 66.70 64.17 3kuk h VAL 186 Cb 1.08 1.74 -0.03 0.00 -2.13 0.00 0.00 31.29 31.95 3kuk h VAL 186 CO 0.10 0.37 0.18 -0.61 -1.23 0.00 0.00 177.57 176.38 3kuk h GLN 187 N 0.08 0.95 -0.67 5.19 5.75 -1.65 0.84 115.11 125.60 3kuk h GLN 187 Ca 0.04 -0.19 0.03 0.00 -0.15 0.00 0.00 58.65 58.37 3kuk h GLN 187 Cb 0.65 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 29.02 3kuk h GLN 187 CO 0.04 0.83 0.44 1.49 -2.65 0.00 0.00 178.83 178.97 3kuk h GLU 188 N 0.92 0.79 -0.17 1.69 4.81 -1.32 0.18 114.58 121.47 3kuk h GLU 188 Ca 0.20 -0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 59.19 3kuk h GLU 188 Cb 0.28 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 29.49 3kuk h GLU 188 CO -0.01 0.53 -0.64 -0.07 -0.73 0.00 0.00 179.01 178.09 3kuk h LEU 189 N 0.82 0.86 -0.97 1.64 -0.00 -0.63 -2.08 115.31 114.95 3kuk h LEU 189 Ca 0.26 -0.61 0.07 0.00 -0.00 0.00 0.00 57.88 57.61 3kuk h LEU 189 Cb 0.04 -0.25 -0.07 0.00 -0.00 0.00 0.00 40.66 40.38 3kuk h LEU 189 CO -0.07 1.32 0.62 0.00 -0.00 0.00 0.00 178.44 180.31 3kuk h ALA 190 N 0.56 1.35 -0.66 1.53 0.00 -0.18 0.47 119.26 122.33 3kuk h ALA 190 Ca -0.03 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3kuk h ALA 190 Cb 1.27 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3kuk h ALA 190 CO 0.13 0.38 0.18 0.00 0.00 0.00 0.00 179.25 179.95 3kuk h ARG 191 N 1.11 1.05 -0.49 0.00 3.08 -0.55 -2.13 114.38 116.45 3kuk h ARG 191 Ca 0.42 -0.24 -0.07 0.00 0.07 0.00 0.00 59.98 60.16 3kuk h ARG 191 Cb 0.19 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3kuk h ARG 191 CO -0.18 0.93 0.01 0.00 -1.07 0.00 0.00 179.97 179.66 3kuk h SER 193 N 0.75 0.00 0.41 0.00 0.87 -0.76 -2.91 113.55 111.92 3kuk h SER 193 Ca 0.15 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.42 3kuk h SER 193 Cb 0.44 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.42 3kuk h SER 193 CO 0.02 0.22 -1.24 0.00 -0.53 0.00 0.00 176.83 175.29 3kuk h ALA 194 N 1.78 0.07 0.00 6.23 0.00 -0.67 -2.38 119.26 124.30 3kuk h ALA 194 Ca -0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 3kuk h ALA 194 Cb 0.62 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3kuk h ALA 194 CO 0.03 0.83 0.00 0.39 0.00 0.00 0.00 179.25 180.50 3kuk n GLU 195 N -3.66 0.13 -0.07 0.00 1.02 -0.54 -2.81 120.64 114.71 3kuk n GLU 195 Ca -0.11 0.44 -0.22 0.00 -0.02 0.00 0.00 57.16 57.25 3kuk n GLU 195 Cb 1.00 -1.79 -0.12 0.00 -0.02 0.00 0.00 31.44 30.51 3kuk n GLU 195 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3kuk h LEU 196 N 0.00 0.12 -2.26 -4.62 3.38 -1.38 -3.49 115.31 107.06 3kuk h LEU 196 Ca 0.00 -0.64 -0.49 0.00 0.09 0.00 0.00 57.88 56.85 3kuk h LEU 196 Cb 0.24 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3kuk h LEU 196 CO 0.00 1.59 -0.90 0.61 0.09 0.00 0.00 178.44 179.83 3kuk n GLY 197 N 1.59 -0.41 0.01 0.83 0.00 -0.91 -4.89 105.19 101.41 3kuk n GLY 197 Ca -0.32 0.22 0.01 0.00 0.00 0.00 0.00 46.02 45.93 3kuk n GLY 197 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kuk n GLU 198 N -4.37 1.39 -3.47 1.61 1.02 -1.26 -5.08 120.64 110.47 3kuk n GLU 198 Ca -0.26 -0.02 -0.14 0.00 -0.02 0.00 0.00 57.16 56.72 3kuk n GLU 198 Cb 0.66 -1.09 -0.04 0.00 -0.02 0.00 0.00 31.44 30.95 3kuk n GLU 198 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 3kuk s PHE 199 N -2.19 -0.57 0.16 -0.32 -0.71 -1.26 -5.14 117.98 107.94 3kuk s PHE 199 Ca -0.02 0.68 -0.31 0.00 -1.04 0.00 0.00 56.93 56.24 3kuk s PHE 199 Cb 0.02 0.49 -0.10 0.00 -1.21 0.00 0.00 43.02 42.22 3kuk s PHE 199 CO 0.15 -0.71 1.64 -2.14 -1.34 0.00 0.00 175.22 172.82 3kuk s PRO 200 N -2.49 4.19 -0.14 1.99 0.02 -1.26 -4.94 135.00 132.36 3kuk s PRO 200 Ca -0.04 2.43 -0.01 0.00 0.02 0.00 0.00 61.00 63.40 3kuk s PRO 200 Cb -0.01 -3.24 0.03 0.00 0.02 0.00 0.00 34.50 31.31 3kuk s PRO 200 CO -0.02 -0.68 -0.06 0.99 -0.33 0.00 0.00 177.00 176.90 3kuk s THR 201 N 1.52 1.06 0.14 0.99 2.01 -1.26 -1.46 115.64 118.63 3kuk s THR 201 Ca 0.73 -0.48 0.04 0.00 0.31 0.00 0.00 61.69 62.29 3kuk s THR 201 Cb -0.45 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 3kuk s THR 201 CO 0.32 0.22 0.11 0.68 -0.69 0.00 0.00 174.62 175.26 3kuk s VAL 202 N 1.67 4.47 -0.18 3.82 -7.23 -0.50 -4.99 120.40 117.46 3kuk s VAL 202 Ca 0.02 -0.99 -0.05 0.00 -1.81 0.00 0.00 61.98 59.15 3kuk s VAL 202 Cb -0.14 -3.24 -0.03 0.00 0.56 0.00 0.00 36.38 33.53 3kuk s VAL 202 CO -0.08 -0.03 0.00 0.54 -0.31 0.00 0.00 175.10 175.22 3kuk s VAL 203 N -1.63 4.19 0.20 1.32 0.11 -1.26 -0.63 120.40 122.70 3kuk s VAL 203 Ca 0.30 -0.25 -0.07 0.00 -2.93 0.00 0.00 61.98 59.04 3kuk s VAL 203 Cb -0.11 -2.87 0.03 0.00 -1.53 0.00 0.00 36.38 31.90 3kuk s VAL 203 CO 0.23 0.46 0.39 0.61 -3.33 0.00 0.00 175.10 173.46 3kuk n GLY 204 N 3.74 1.65 3.84 6.54 0.00 -1.00 -4.94 105.19 115.03 3kuk n GLY 204 Ca -0.17 -1.20 -0.35 0.00 0.00 0.00 0.00 46.02 44.29 3kuk n GLY 204 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kuk s ASN 205 N -2.10 6.82 -0.17 1.61 0.01 -0.56 -1.60 114.94 118.94 3kuk s ASN 205 Ca 0.10 1.05 -0.04 0.00 -0.71 0.00 0.00 52.86 53.26 3kuk s ASN 205 Cb -0.02 -2.28 -0.02 0.00 0.41 0.00 0.00 41.25 39.34 3kuk s ASN 205 CO 0.07 0.13 -0.04 -0.89 -1.51 0.00 0.00 177.10 174.86 3kuk s THR 206 N -1.42 3.73 -0.01 1.60 2.01 -1.11 -0.99 115.64 119.44 3kuk s THR 206 Ca 0.36 -0.40 -0.24 0.00 0.31 0.00 0.00 61.69 61.72 3kuk s THR 206 Cb -0.15 -2.65 -0.05 0.00 0.01 0.00 0.00 72.50 69.66 3kuk s THR 206 CO 0.19 0.47 0.72 -0.32 -0.69 0.00 0.00 174.62 174.99 3kuk s MET 207 N 0.69 4.45 -0.23 4.92 1.75 0.82 -0.65 119.30 131.04 3kuk s MET 207 Ca -0.02 0.95 -0.03 0.00 -1.25 0.00 0.00 55.69 55.33 3kuk s MET 207 Cb -0.14 -3.40 0.00 0.00 2.84 0.00 0.00 34.83 34.13 3kuk s MET 207 CO 0.02 0.19 -0.04 0.00 -0.65 0.00 0.00 175.02 174.54 3kuk s THR 209 N 1.44 2.95 -2.28 0.00 -4.23 0.22 -4.13 115.64 109.61 3kuk s THR 209 Ca 0.04 -1.83 0.29 0.00 -1.18 0.00 0.00 61.69 59.00 3kuk s THR 209 Cb -0.15 -2.47 0.57 0.00 1.34 0.00 0.00 72.50 71.79 3kuk s THR 209 CO -0.04 -0.16 1.81 0.18 -0.54 0.00 0.00 174.62 175.88 3kuk n LEU 210 N -0.04 1.14 -3.74 4.79 4.77 -1.26 -4.46 117.00 118.20 3kuk n LEU 210 Ca -0.10 -0.36 -0.12 0.00 -0.03 0.00 0.00 56.01 55.40 3kuk n LEU 210 Cb 0.56 -0.03 -0.12 0.00 -2.33 0.00 0.00 43.42 41.50 3kuk n LEU 210 CO 0.34 0.19 -0.08 -0.62 -1.33 0.00 0.00 177.39 175.90 3kuk s ASP 211 N -2.09 -0.31 0.23 -1.43 2.15 -1.26 -5.01 116.67 108.94 3kuk s ASP 211 Ca 0.37 0.58 0.11 0.00 0.43 0.00 0.00 52.55 54.05 3kuk s ASP 211 Cb 0.21 0.51 0.11 0.00 -0.30 0.00 0.00 42.92 43.45 3kuk s ASP 211 CO 0.37 -0.15 1.46 0.15 -0.17 0.00 0.00 175.17 176.84 3kuk h PHE 212 N 6.67 0.00 0.00 -5.34 3.04 -1.91 -2.97 116.94 116.43 3kuk h PHE 212 Ca -0.35 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.60 3kuk h PHE 212 Cb 1.17 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.68 3kuk h PHE 212 CO 0.36 0.72 0.00 0.66 -2.02 0.00 0.00 178.31 178.02 3kuk n TYR 213 N -3.46 0.00 0.28 0.41 4.02 -1.26 -4.18 117.16 112.97 3kuk n TYR 213 Ca 0.00 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 58.05 3kuk n TYR 213 Cb 0.76 0.00 0.81 0.00 -0.02 0.00 0.00 39.34 40.89 3kuk n TYR 213 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 3kuk h GLU 214 N 0.00 0.00 0.00 -0.72 5.08 -1.82 -0.56 114.58 116.57 3kuk h GLU 214 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kuk h GLU 214 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3kuk h GLU 214 CO 0.00 0.07 -0.32 0.41 -1.00 0.00 0.00 179.01 178.18 3kuk n GLY 215 N -0.60 -1.46 0.09 -3.84 0.00 -1.20 -3.36 105.19 94.82 3kuk n GLY 215 Ca -0.01 -0.19 0.09 0.00 0.00 0.00 0.00 46.02 45.90 3kuk n GLY 215 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kuk n GLN 216 N -1.85 1.29 -1.40 1.61 6.02 -1.08 -4.78 117.38 117.20 3kuk n GLN 216 Ca 0.05 -2.42 -0.14 0.00 -0.01 0.00 0.00 57.00 54.49 3kuk n GLN 216 Cb 0.39 -1.41 -0.06 0.00 1.02 0.00 0.00 30.24 30.18 3kuk n GLN 216 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kuk n GLY 217 N -1.30 1.41 3.76 1.08 0.00 -1.10 -4.98 105.19 104.07 3kuk n GLY 217 Ca 0.14 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 3kuk n GLY 217 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kuk s ARG 218 N -3.11 2.78 -0.01 1.61 0.52 -0.24 -4.80 118.95 115.70 3kuk s ARG 218 Ca 0.00 1.52 0.19 0.00 -0.52 0.00 0.00 55.73 56.92 3kuk s ARG 218 Cb 0.00 -1.94 -0.26 0.00 0.52 0.00 0.00 34.95 33.28 3kuk s ARG 218 CO 0.00 -1.28 0.60 1.28 0.02 0.00 0.00 175.30 175.91 3kuk n LEU 219 N -2.24 0.41 -2.00 2.53 4.77 -1.26 -4.56 117.00 114.65 3kuk n LEU 219 Ca 0.11 -0.23 -0.22 0.00 -0.03 0.00 0.00 56.01 55.65 3kuk n LEU 219 Cb 0.51 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.70 3kuk n LEU 219 CO 0.47 0.10 1.21 -0.90 -1.33 0.00 0.00 177.39 176.94 3kuk n ASP 220 N -1.84 5.42 -4.79 -1.43 3.85 -1.26 -4.91 116.55 111.60 3kuk n ASP 220 Ca -0.00 -3.29 -0.25 0.00 -0.71 0.00 0.00 54.79 50.53 3kuk n ASP 220 Cb 0.41 -0.89 0.09 0.00 -1.35 0.00 0.00 41.12 39.37 3kuk n ASP 220 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 3kuk s GLY 221 N -0.72 1.73 0.08 6.12 0.00 -1.26 -4.94 107.32 108.33 3kuk s GLY 221 Ca 0.44 -1.15 0.20 0.00 0.00 0.00 0.00 44.72 44.22 3kuk s GLY 221 CO 0.03 -0.68 1.63 0.00 0.00 0.00 0.00 173.10 174.09 3kuk n ALA 222 N -2.96 1.82 -3.65 3.20 0.00 -1.26 -4.69 120.51 112.97 3kuk n ALA 222 Ca 0.10 -0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.38 3kuk n ALA 222 Cb 0.60 -1.33 -0.15 0.00 0.00 0.00 0.00 19.45 18.57 3kuk n ALA 222 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kuk s LEU 223 N -3.51 1.06 -0.30 0.00 1.02 -1.26 -5.14 118.68 110.55 3kuk s LEU 223 Ca 0.08 0.13 -0.18 0.00 0.02 0.00 0.00 54.13 54.17 3kuk s LEU 223 Cb 0.11 0.09 0.19 0.00 0.02 0.00 0.00 46.19 46.60 3kuk s LEU 223 CO 0.37 -0.12 1.22 0.00 0.02 0.00 0.00 176.35 177.83 3kuk n SER 225 N 4.75 2.97 -1.56 0.00 3.41 -1.26 -5.03 113.62 116.90 3kuk n SER 225 Ca -0.07 -3.14 0.00 0.00 -0.26 0.00 0.00 58.87 55.40 3kuk n SER 225 Cb 0.55 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 3kuk n SER 225 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kuk n TYR 226 N -1.02 0.00 -4.32 7.33 4.11 -1.26 -5.17 117.16 116.83 3kuk n TYR 226 Ca 0.19 0.00 -0.17 0.00 -0.00 0.00 0.00 57.90 57.93 3kuk n TYR 226 Cb 0.77 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 40.01 3kuk n TYR 226 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 3kuk s THR 227 N -0.65 1.12 0.55 -3.48 -4.23 -1.26 -5.02 115.64 102.66 3kuk s THR 227 Ca 0.00 -2.05 0.27 0.00 -1.18 0.00 0.00 61.69 58.73 3kuk s THR 227 Cb 0.00 -2.24 0.40 0.00 1.34 0.00 0.00 72.50 72.00 3kuk s THR 227 CO 0.00 -0.42 1.98 -0.08 -0.54 0.00 0.00 174.62 175.56 3kuk h GLU 228 N 2.53 0.00 -0.08 3.99 4.57 -1.99 -0.76 114.58 122.83 3kuk h GLU 228 Ca -0.38 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 57.70 3kuk h GLU 228 Cb 1.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 3kuk h GLU 228 CO 0.64 0.00 -0.33 -0.22 -1.18 0.00 0.00 179.01 177.93 3kuk h LYS 229 N 0.00 0.36 -0.77 1.92 3.64 -1.99 -1.34 116.57 118.40 3kuk h LYS 229 Ca 0.25 -0.28 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3kuk h LYS 229 Cb 1.08 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.92 3kuk h LYS 229 CO -0.00 0.92 0.51 -0.44 -2.27 0.00 0.00 179.45 178.16 3kuk h ASP 230 N -0.12 0.85 0.13 4.20 3.32 -1.59 0.00 116.42 123.21 3kuk h ASP 230 Ca -0.02 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 3kuk h ASP 230 Cb 0.97 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.32 3kuk h ASP 230 CO 0.07 0.60 -0.06 0.50 -1.72 0.00 0.00 179.24 178.62 3kuk h LYS 231 N 0.99 -0.17 -0.55 3.56 3.64 -1.22 -2.50 116.57 120.31 3kuk h LYS 231 Ca 0.29 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.76 3kuk h LYS 231 Cb -0.04 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.76 3kuk h LYS 231 CO -0.07 0.13 0.21 1.96 -2.27 0.00 0.00 179.45 179.41 3kuk h GLN 232 N -0.48 0.40 0.00 1.90 1.08 -0.65 0.48 115.11 117.83 3kuk h GLN 232 Ca -0.02 -0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.10 3kuk h GLN 232 Cb 0.38 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 3kuk h GLN 232 CO 0.03 0.26 -0.27 -0.44 -0.95 0.00 0.00 178.83 177.46 3kuk h ASP 233 N 0.41 0.00 0.04 1.46 3.32 -1.01 -0.87 116.42 119.77 3kuk h ASP 233 Ca 0.27 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 3kuk h ASP 233 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3kuk h ASP 233 CO -0.25 0.27 -0.02 0.22 -1.72 0.00 0.00 179.24 177.74 3kuk h TYR 234 N 0.00 -0.05 -0.89 4.55 3.20 -0.70 -2.48 116.97 120.59 3kuk h TYR 234 Ca -0.00 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.92 3kuk h TYR 234 Cb 0.72 0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.94 3kuk h TYR 234 CO 0.00 0.56 0.57 -0.07 -1.64 0.00 0.00 178.16 177.57 3kuk h LEU 235 N -0.93 0.90 -0.58 2.82 3.38 -0.95 -1.95 115.31 118.00 3kuk h LEU 235 Ca -0.01 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3kuk h LEU 235 Cb 0.63 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3kuk h LEU 235 CO 0.01 0.59 0.05 0.03 0.09 0.00 0.00 178.44 179.21 3kuk h ARG 236 N 1.04 1.00 -0.60 1.13 3.08 -1.26 -0.56 114.38 118.22 3kuk h ARG 236 Ca 0.38 -0.29 0.11 0.00 0.07 0.00 0.00 59.98 60.25 3kuk h ARG 236 Cb 0.13 -0.10 -0.09 0.00 0.08 0.00 0.00 29.97 29.99 3kuk h ARG 236 CO -0.16 0.97 0.13 0.00 -1.07 0.00 0.00 179.97 179.83 3kuk h ALA 237 N 0.99 0.71 -0.65 0.04 0.00 -0.95 0.13 119.26 119.53 3kuk h ALA 237 Ca 0.17 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.25 3kuk h ALA 237 Cb 0.48 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 3kuk h ALA 237 CO 0.02 -0.31 0.39 0.00 0.00 0.00 0.00 179.25 179.36 3kuk h ALA 238 N 1.48 0.85 -0.52 0.00 0.00 -0.89 -1.19 119.26 119.00 3kuk h ALA 238 Ca 0.31 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3kuk h ALA 238 Cb 0.47 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3kuk h ALA 238 CO -0.40 0.13 0.24 -0.92 0.00 0.00 0.00 179.25 178.30 3kuk h TYR 239 N 0.76 0.75 -0.21 0.00 3.20 0.54 -0.03 116.97 121.97 3kuk h TYR 239 Ca 0.27 -0.04 0.02 0.00 3.14 0.00 0.00 58.73 62.12 3kuk h TYR 239 Cb 0.06 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 3kuk h TYR 239 CO -0.06 0.59 0.15 0.00 -1.64 0.00 0.00 178.16 177.20 3kuk h ALA 240 N 1.08 1.97 -0.15 1.82 0.00 -0.48 -0.70 119.26 122.79 3kuk h ALA 240 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kuk h ALA 240 Cb 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3kuk h ALA 240 CO -0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.23 3kuk n ALA 241 N -2.53 2.55 -1.49 0.00 0.00 -0.33 -4.84 120.51 113.87 3kuk n ALA 241 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3kuk n ALA 241 Cb 0.15 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3kuk n ALA 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kuk n GLY 242 N 0.61 0.48 3.68 0.00 0.00 -0.27 -4.97 105.19 104.73 3kuk n GLY 242 Ca 0.06 -0.88 -0.36 0.00 0.00 0.00 0.00 46.02 44.83 3kuk n GLY 242 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kuk s ILE 243 N -2.00 5.36 -0.11 -0.61 1.01 -0.18 -1.50 121.20 123.17 3kuk s ILE 243 Ca 0.00 0.18 0.11 0.00 0.00 0.00 0.00 60.65 60.94 3kuk s ILE 243 Cb 0.00 -3.48 -0.16 0.00 0.01 0.00 0.00 42.46 38.83 3kuk s ILE 243 CO 0.00 0.38 0.28 0.54 0.00 0.00 0.00 174.94 176.14 3kuk n ARG 244 N 3.99 0.98 -3.91 2.79 5.12 -0.17 -4.10 116.66 121.37 3kuk n ARG 244 Ca -0.15 -0.08 -0.08 0.00 -1.93 0.00 0.00 57.85 55.60 3kuk n ARG 244 Cb 0.52 -1.21 -0.08 0.00 -1.16 0.00 0.00 32.46 30.54 3kuk n ARG 244 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3kuk s ASN 245 N -3.00 0.20 -0.10 0.55 4.22 -1.20 -0.37 114.94 115.24 3kuk s ASN 245 Ca -0.02 -0.73 0.03 0.00 -2.14 0.00 0.00 52.86 50.00 3kuk s ASN 245 Cb 0.07 0.31 0.01 0.00 1.28 0.00 0.00 41.25 42.92 3kuk s ASN 245 CO 0.45 -0.70 -0.20 -0.63 -2.04 0.00 0.00 177.10 173.98 3kuk s ILE 246 N -3.87 1.77 0.00 0.54 1.01 0.11 -0.13 121.20 120.62 3kuk s ILE 246 Ca 0.05 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.87 3kuk s ILE 246 Cb 0.06 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.96 3kuk s ILE 246 CO -0.11 0.50 0.00 -1.84 0.00 0.00 0.00 174.94 173.49 3kuk n GLU 247 N 3.83 0.00 -1.97 2.79 -0.00 0.60 -1.20 120.64 124.69 3kuk n GLU 247 Ca -0.20 0.00 -0.04 0.00 -0.00 0.00 0.00 57.16 56.92 3kuk n GLU 247 Cb 0.52 0.00 0.06 0.00 -0.00 0.00 0.00 31.44 32.02 3kuk n GLU 247 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3kuk n MET 248 N 0.00 1.72 0.00 3.44 2.81 -1.26 -0.61 117.12 123.22 3kuk n MET 248 Ca 0.00 -3.26 0.00 0.00 -1.81 0.00 0.00 57.70 52.63 3kuk n MET 248 Cb 0.00 -1.37 0.00 0.00 -0.71 0.00 0.00 33.22 31.14 3kuk n MET 248 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3kuk n GLU 249 N -0.44 0.00 -0.29 0.03 4.71 -1.26 -2.65 120.64 120.75 3kuk n GLU 249 Ca 0.17 0.00 0.03 0.00 -0.01 0.00 0.00 57.16 57.36 3kuk n GLU 249 Cb 0.91 -0.27 0.09 0.00 -1.01 0.00 0.00 31.44 31.16 3kuk n GLU 249 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3kuk n ALA 250 N -0.99 0.12 0.16 0.62 0.00 -1.26 -2.43 120.51 116.73 3kuk n ALA 250 Ca 0.00 0.84 -0.14 0.00 0.00 0.00 0.00 53.44 54.14 3kuk n ALA 250 Cb 0.00 -0.48 -0.07 0.00 0.00 0.00 0.00 19.45 18.90 3kuk n ALA 250 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3kuk h SER 251 N 0.00 -0.90 -0.14 0.00 0.02 -1.92 0.34 113.55 110.96 3kuk h SER 251 Ca 0.35 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.38 3kuk h SER 251 Cb 0.55 0.32 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 3kuk h SER 251 CO -0.80 -0.43 0.03 -0.37 -1.14 0.00 0.00 176.83 174.12 3kuk h VAL 252 N -0.61 1.21 -0.65 2.27 -1.51 -1.87 -0.74 116.25 114.35 3kuk h VAL 252 Ca 0.01 -0.65 0.13 0.00 -1.23 0.00 0.00 66.70 64.96 3kuk h VAL 252 Cb 0.59 1.38 -0.10 0.00 -2.13 0.00 0.00 31.29 31.04 3kuk h VAL 252 CO -0.13 0.19 0.13 0.15 -1.23 0.00 0.00 177.57 176.69 3kuk h PHE 253 N 0.01 0.21 0.84 5.19 3.57 -1.31 0.14 116.94 125.59 3kuk h PHE 253 Ca 0.04 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 3kuk h PHE 253 Cb 0.27 0.01 0.01 0.00 2.79 0.00 0.00 35.95 39.03 3kuk h PHE 253 CO 0.01 -0.06 -0.40 0.00 -2.23 0.00 0.00 178.31 175.63 3kuk h ALA 254 N 1.53 -1.20 -0.45 2.41 0.00 -0.82 -2.95 119.26 117.77 3kuk h ALA 254 Ca 0.35 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 55.10 3kuk h ALA 254 Cb 0.55 0.44 -0.10 0.00 0.00 0.00 0.00 17.79 18.68 3kuk h ALA 254 CO -0.45 -1.12 -0.26 0.00 0.00 0.00 0.00 179.25 177.42 3kuk h ALA 255 N -1.38 0.01 -0.56 0.00 0.00 -0.57 -1.83 119.26 114.94 3kuk h ALA 255 Ca -0.12 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3kuk h ALA 255 Cb 0.86 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 3kuk h ALA 255 CO 0.19 -0.62 0.13 0.52 0.00 0.00 0.00 179.25 179.47 3kuk h MET 256 N -0.17 0.86 -0.04 0.00 2.07 -0.81 -2.24 114.93 114.59 3kuk h MET 256 Ca 0.21 -0.18 -0.02 0.00 -2.07 0.00 0.00 59.70 57.64 3kuk h MET 256 Cb 0.50 -0.13 -0.00 0.00 -1.87 0.00 0.00 31.60 30.10 3kuk h MET 256 CO -0.55 0.77 -0.06 0.00 1.07 0.00 0.00 176.91 178.14 3kuk h ASN 258 N -0.36 -0.82 -0.87 0.00 -0.26 -1.31 0.34 115.58 112.29 3kuk h ASN 258 Ca 0.01 0.19 0.13 0.00 -0.56 0.00 0.00 56.30 56.06 3kuk h ASN 258 Cb 0.59 0.44 -0.09 0.00 -1.06 0.00 0.00 38.32 38.20 3kuk h ASN 258 CO 0.01 -0.26 0.49 0.00 -1.06 0.00 0.00 177.43 176.61 3kuk h ALA 259 N 1.21 1.30 -0.37 -0.83 0.00 -1.24 -0.80 119.26 118.53 3kuk h ALA 259 Ca 0.24 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3kuk h ALA 259 Cb 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3kuk h ALA 259 CO -0.59 0.01 0.00 0.00 0.00 0.00 0.00 179.25 178.67 3kuk n GLY 261 N 1.39 -0.39 3.67 0.00 0.00 0.11 -4.45 105.19 105.51 3kuk n GLY 261 Ca 0.18 0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.99 3kuk n GLY 261 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kuk s LEU 262 N -6.51 3.53 -0.13 0.99 1.43 -0.29 -4.97 118.68 112.74 3kuk s LEU 262 Ca 0.23 0.12 -0.28 0.00 -1.03 0.00 0.00 54.13 53.17 3kuk s LEU 262 Cb -0.10 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 3kuk s LEU 262 CO 0.70 0.37 0.95 -0.13 0.23 0.00 0.00 176.35 178.46 3kuk s ARG 263 N -0.84 4.38 0.01 1.70 0.52 -1.26 -4.39 118.95 119.08 3kuk s ARG 263 Ca 0.13 1.27 -0.06 0.00 -0.52 0.00 0.00 55.73 56.55 3kuk s ARG 263 Cb -0.11 -3.55 -0.01 0.00 0.52 0.00 0.00 34.95 31.80 3kuk s ARG 263 CO 0.02 -0.31 0.10 0.00 0.02 0.00 0.00 175.30 175.13 3kuk s ALA 264 N 2.04 -0.19 0.12 2.13 0.00 -1.26 -1.87 121.76 122.73 3kuk s ALA 264 Ca 0.45 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.10 3kuk s ALA 264 Cb -0.18 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 3kuk s ALA 264 CO 0.16 -0.23 -0.00 0.00 0.00 0.00 0.00 175.76 175.69 3kuk s ALA 265 N -1.69 0.95 -0.18 0.00 0.00 -0.45 -3.82 121.76 116.57 3kuk s ALA 265 Ca -0.13 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.41 3kuk s ALA 265 Cb -0.06 0.50 0.04 0.00 0.00 0.00 0.00 23.12 23.60 3kuk s ALA 265 CO -0.00 -0.36 -0.07 0.08 0.00 0.00 0.00 175.76 175.40 3kuk s VAL 266 N -3.82 1.34 -0.23 0.00 1.01 -1.26 -1.00 120.40 116.43 3kuk s VAL 266 Ca 0.18 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3kuk s VAL 266 Cb 0.07 -1.48 0.04 0.00 0.00 0.00 0.00 36.38 35.00 3kuk s VAL 266 CO -0.01 0.13 -0.12 -0.69 0.00 0.00 0.00 175.10 174.41 3kuk s VAL 267 N 1.53 2.38 -0.02 2.92 1.01 0.09 -1.43 120.40 126.88 3kuk s VAL 267 Ca -0.00 -1.21 0.03 0.00 0.00 0.00 0.00 61.98 60.80 3kuk s VAL 267 Cb -0.16 -2.21 -0.00 0.00 0.00 0.00 0.00 36.38 34.01 3kuk s VAL 267 CO -0.08 0.23 -0.12 0.00 0.00 0.00 0.00 175.10 175.13 3kuk s VAL 269 N -0.08 5.03 0.17 0.00 0.11 -0.90 -0.53 120.40 124.20 3kuk s VAL 269 Ca 0.01 1.45 -0.31 0.00 -2.93 0.00 0.00 61.98 60.20 3kuk s VAL 269 Cb -0.07 -4.05 -0.09 0.00 -1.53 0.00 0.00 36.38 30.65 3kuk s VAL 269 CO 0.00 0.22 1.38 -0.89 -3.33 0.00 0.00 175.10 172.47 3kuk s THR 270 N 1.03 3.12 -0.89 5.04 2.01 0.73 -1.39 115.64 125.30 3kuk s THR 270 Ca 0.37 0.87 0.13 0.00 0.31 0.00 0.00 61.69 63.37 3kuk s THR 270 Cb -0.17 -3.56 -0.08 0.00 0.01 0.00 0.00 72.50 68.70 3kuk s THR 270 CO 0.17 0.10 0.64 0.18 -0.69 0.00 0.00 174.62 175.02 3kuk n LEU 271 N 3.17 0.98 -3.54 4.42 4.77 -0.42 -0.82 117.00 125.56 3kuk n LEU 271 Ca 0.09 -0.61 -0.08 0.00 -0.03 0.00 0.00 56.01 55.37 3kuk n LEU 271 Cb 0.42 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 3kuk n LEU 271 CO 0.59 0.21 0.78 -1.48 -1.33 0.00 0.00 177.39 176.16 3kuk s LEU 272 N -2.29 -0.31 -0.38 2.23 2.34 -1.26 -4.83 118.68 114.18 3kuk s LEU 272 Ca 0.08 0.09 -0.23 0.00 0.06 0.00 0.00 54.13 54.13 3kuk s LEU 272 Cb 0.10 1.84 0.01 0.00 -0.56 0.00 0.00 46.19 47.58 3kuk s LEU 272 CO 0.45 -0.47 0.75 0.21 -1.06 0.00 0.00 176.35 176.23 3kuk s ASN 273 N -2.10 6.50 0.00 1.48 3.84 -1.26 -1.49 114.94 121.90 3kuk s ASN 273 Ca 0.05 0.21 0.18 0.00 0.21 0.00 0.00 52.86 53.51 3kuk s ASN 273 Cb -0.01 -2.38 0.76 0.00 -0.55 0.00 0.00 41.25 39.08 3kuk s ASN 273 CO -0.06 -0.74 1.57 0.54 -2.79 0.00 0.00 177.10 175.63 3kuk n ARG 274 N 6.39 0.00 0.00 0.43 5.12 0.79 -0.94 116.66 128.45 3kuk n ARG 274 Ca 0.02 0.19 0.15 0.00 -1.93 0.00 0.00 57.85 56.28 3kuk n ARG 274 Cb 0.48 -1.50 0.71 0.00 -1.16 0.00 0.00 32.46 30.99 3kuk n ARG 274 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3kuk n LEU 275 N -1.51 0.67 0.00 0.55 4.77 -1.26 -4.03 117.00 116.19 3kuk n LEU 275 Ca 0.04 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3kuk n LEU 275 Cb 0.21 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3kuk n LEU 275 CO 0.17 0.11 -0.47 -0.62 -1.33 0.00 0.00 177.39 175.25 3kuk n GLU 276 N -0.56 2.90 -3.88 3.23 -0.58 -0.12 -5.08 120.64 116.56 3kuk n GLU 276 Ca 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 3kuk n GLU 276 Cb 0.24 -0.97 0.01 0.00 -0.57 0.00 0.00 31.44 30.15 3kuk n GLU 276 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3kuk s GLY 277 N -2.64 -0.11 -0.04 0.62 0.00 -0.97 -5.07 107.32 99.10 3kuk s GLY 277 Ca 0.00 0.05 0.03 0.00 0.00 0.00 0.00 44.72 44.80 3kuk s GLY 277 CO 0.00 3.41 -0.00 1.22 0.00 0.00 0.00 173.10 177.73 3kuk n ASP 278 N -0.98 3.89 -4.86 1.64 8.00 -1.26 -4.31 116.55 118.66 3kuk n ASP 278 Ca -0.01 -0.01 -0.31 0.00 0.71 0.00 0.00 54.79 55.17 3kuk n ASP 278 Cb 0.60 0.41 -0.04 0.00 -0.02 0.00 0.00 41.12 42.07 3kuk n ASP 278 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3kuk s GLN 279 N -2.10 3.86 -0.99 -1.24 -0.21 -1.26 -5.01 119.66 112.72 3kuk s GLN 279 Ca -0.03 0.58 -0.12 0.00 0.02 0.00 0.00 55.36 55.81 3kuk s GLN 279 Cb 0.01 -2.37 0.24 0.00 1.00 0.00 0.00 33.01 31.89 3kuk s GLN 279 CO 0.15 -0.02 0.99 0.42 -2.12 0.00 0.00 175.29 174.72 3kuk s ILE 280 N -2.31 5.69 -0.10 1.08 1.01 -1.26 -4.86 121.20 120.45 3kuk s ILE 280 Ca 0.53 -2.84 0.21 0.00 0.00 0.00 0.00 60.65 58.55 3kuk s ILE 280 Cb -0.10 -4.58 -0.23 0.00 0.01 0.00 0.00 42.46 37.55 3kuk s ILE 280 CO 0.28 -1.17 0.60 -1.54 0.00 0.00 0.00 174.94 173.10 3kuk n SER 281 N 3.71 0.27 -4.49 3.58 3.41 -1.26 -5.00 113.62 113.85 3kuk n SER 281 Ca 0.21 0.11 -0.37 0.00 -0.26 0.00 0.00 58.87 58.55 3kuk n SER 281 Cb 0.43 1.39 0.05 0.00 -0.26 0.00 0.00 64.21 65.82 3kuk n SER 281 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3kuk n SER 282 N -2.46 -0.83 -4.64 4.04 7.64 -1.26 -4.88 113.62 111.23 3kuk n SER 282 Ca -0.06 0.69 -0.46 0.00 1.01 0.00 0.00 58.87 60.05 3kuk n SER 282 Cb 0.64 -1.22 -0.03 0.00 -1.01 0.00 0.00 64.21 62.59 3kuk n SER 282 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3kuk n PRO 283 N -0.45 1.71 -0.33 1.43 -0.02 -1.26 -4.77 135.00 131.31 3kuk n PRO 283 Ca 0.11 0.61 0.24 0.00 -2.02 0.00 0.00 63.50 62.44 3kuk n PRO 283 Cb 0.48 -2.19 0.47 0.00 -0.02 0.00 0.00 33.50 32.25 3kuk n PRO 283 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3kuk h HIS 284 N 3.69 0.86 -0.37 6.00 -0.00 -1.99 0.32 115.15 123.66 3kuk h HIS 284 Ca -0.44 0.04 0.08 0.00 -0.00 0.00 0.00 60.37 60.05 3kuk h HIS 284 Cb 1.30 -0.21 -0.08 0.00 -0.00 0.00 0.00 27.41 28.42 3kuk h HIS 284 CO 0.55 -0.22 -0.17 -0.44 -0.00 0.00 0.00 177.93 177.65 3kuk h ASP 285 N 0.27 -0.58 -0.07 3.26 5.19 -2.00 -1.13 116.42 121.36 3kuk h ASP 285 Ca 0.73 0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 57.27 3kuk h ASP 285 Cb 1.69 0.32 -0.00 0.00 0.18 0.00 0.00 39.33 41.52 3kuk h ASP 285 CO -0.63 -0.21 0.01 0.58 -3.12 0.00 0.00 179.24 175.87 3kuk h VAL 286 N -0.11 1.23 -0.34 -1.35 2.07 -1.30 -2.75 116.25 113.70 3kuk h VAL 286 Ca 0.18 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 67.01 3kuk h VAL 286 Cb 0.39 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 3kuk h VAL 286 CO -0.44 0.20 0.23 -0.07 0.02 0.00 0.00 177.57 177.51 3kuk h LEU 287 N -0.15 0.37 -0.00 2.57 3.38 -1.22 -0.53 115.31 119.74 3kuk h LEU 287 Ca 0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kuk h LEU 287 Cb 0.30 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3kuk h LEU 287 CO 0.00 0.27 -0.00 0.00 0.09 0.00 0.00 178.44 178.80 3kuk h ALA 288 N 1.79 0.00 -0.19 1.53 0.00 -1.14 -2.37 119.26 118.87 3kuk h ALA 288 Ca 0.13 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3kuk h ALA 288 Cb -0.01 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 3kuk h ALA 288 CO -0.03 -0.32 -0.18 1.49 0.00 0.00 0.00 179.25 180.21 3kuk h GLU 289 N -0.35 -0.19 -0.43 0.00 4.22 -1.06 -2.41 114.58 114.36 3kuk h GLU 289 Ca 0.00 0.01 0.07 0.00 0.08 0.00 0.00 59.36 59.52 3kuk h GLU 289 Cb 0.35 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.55 3kuk h GLU 289 CO 0.00 -0.13 -0.45 1.88 -2.18 0.00 0.00 179.01 178.13 3kuk h TYR 290 N -0.20 -1.33 0.00 0.92 0.99 -1.05 -0.91 116.97 115.39 3kuk h TYR 290 Ca 0.12 0.07 0.00 0.00 2.00 0.00 0.00 58.73 60.92 3kuk h TYR 290 Cb 0.38 0.64 0.00 0.00 1.00 0.00 0.00 36.73 38.75 3kuk h TYR 290 CO -0.32 -0.45 0.00 1.04 -0.00 0.00 0.00 178.16 178.43 3kuk n GLN 291 N -5.41 0.08 0.08 4.88 6.02 -0.90 -0.18 117.38 121.96 3kuk n GLN 291 Ca -0.01 0.24 0.06 0.00 -0.01 0.00 0.00 57.00 57.28 3kuk n GLN 291 Cb 0.35 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.09 3kuk n GLN 291 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 3kuk h GLN 292 N 0.00 0.00 0.23 -1.09 4.20 -0.90 -3.39 115.11 114.16 3kuk h GLN 292 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kuk h GLN 292 Cb 0.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3kuk h GLN 292 CO 0.00 0.17 -0.20 0.00 -0.67 0.00 0.00 178.83 178.13 3kuk h ARG 293 N 0.00 -0.44 -0.60 1.46 3.08 -0.49 0.86 114.38 118.25 3kuk h ARG 293 Ca -0.07 0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.02 3kuk h ARG 293 Cb 1.29 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.41 3kuk h ARG 293 CO 0.03 -0.29 0.40 -1.35 -1.07 0.00 0.00 179.97 177.68 3kuk h PRO 294 N -0.46 0.78 -0.71 0.04 0.11 -1.77 0.82 132.00 130.82 3kuk h PRO 294 Ca -0.01 -0.05 0.09 0.00 0.11 0.00 0.00 66.00 66.14 3kuk h PRO 294 Cb 0.41 -0.18 -0.07 0.00 0.11 0.00 0.00 31.00 31.28 3kuk h PRO 294 CO -0.03 0.51 0.37 1.96 -0.21 0.00 0.00 178.00 180.60 3kuk h GLN 295 N 0.80 0.62 0.09 1.05 4.20 -1.54 -1.63 115.11 118.70 3kuk h GLN 295 Ca 0.22 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 3kuk h GLN 295 Cb -0.07 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.57 3kuk h GLN 295 CO -0.05 0.41 -0.04 0.00 -0.67 0.00 0.00 178.83 178.48 3kuk h ARG 296 N 0.64 -0.11 0.02 1.46 3.08 0.16 -1.03 114.38 118.59 3kuk h ARG 296 Ca 0.34 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.43 3kuk h ARG 296 Cb 0.33 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.35 3kuk h ARG 296 CO -0.25 0.14 -0.45 1.25 -1.07 0.00 0.00 179.97 179.60 3kuk h LEU 297 N -0.36 -1.37 -0.88 3.04 6.46 -1.26 -1.02 115.31 119.92 3kuk h LEU 297 Ca -0.01 0.16 0.13 0.00 -0.12 0.00 0.00 57.88 58.04 3kuk h LEU 297 Cb 0.31 0.53 -0.09 0.00 -0.73 0.00 0.00 40.66 40.68 3kuk h LEU 297 CO 0.02 -0.48 0.49 0.58 -0.62 0.00 0.00 178.44 178.43 3kuk h VAL 298 N -0.62 0.82 -0.24 1.05 2.07 -1.25 -0.53 116.25 117.54 3kuk h VAL 298 Ca 0.03 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.35 3kuk h VAL 298 Cb 0.68 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 3kuk h VAL 298 CO -0.32 0.14 -0.10 1.23 0.02 0.00 0.00 177.57 178.54 3kuk h GLY 299 N 0.75 0.12 -0.25 2.17 0.00 -0.73 -0.71 103.07 104.42 3kuk h GLY 299 Ca 0.46 0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.95 3kuk h GLY 299 CO -0.31 -0.12 -0.54 1.46 0.00 0.00 0.00 176.54 177.03 3kuk h GLN 300 N -0.06 -0.47 -0.84 4.80 1.08 0.19 0.58 115.11 120.40 3kuk h GLN 300 Ca 0.13 0.03 0.18 0.00 -1.45 0.00 0.00 58.65 57.54 3kuk h GLN 300 Cb 0.25 0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 27.73 3kuk h GLN 300 CO -0.28 -0.31 0.56 0.35 -0.95 0.00 0.00 178.83 178.19 3kuk h PHE 301 N -0.49 0.51 -0.02 2.96 3.04 -0.86 0.79 116.94 122.88 3kuk h PHE 301 Ca 0.06 0.02 -0.13 0.00 3.98 0.00 0.00 57.97 61.89 3kuk h PHE 301 Cb 0.64 -0.16 0.01 0.00 2.56 0.00 0.00 35.95 39.00 3kuk h PHE 301 CO -0.64 0.16 -0.50 0.82 -2.02 0.00 0.00 178.31 176.12 3kuk h ILE 302 N 0.41 1.44 -0.32 1.41 2.04 -0.41 -2.24 117.51 119.84 3kuk h ILE 302 Ca 0.43 -2.00 0.06 0.00 1.00 0.00 0.00 64.86 64.35 3kuk h ILE 302 Cb 1.04 2.56 -0.08 0.00 -0.74 0.00 0.00 36.82 39.59 3kuk h ILE 302 CO -0.15 0.58 -0.40 0.50 0.00 0.00 0.00 178.15 178.68 3kuk h LYS 303 N -0.15 -0.34 -0.32 2.37 3.64 0.62 -2.46 116.57 119.93 3kuk h LYS 303 Ca -0.06 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.41 3kuk h LYS 303 Cb 1.21 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 33.05 3kuk h LYS 303 CO 0.10 -0.23 -0.03 0.87 -2.27 0.00 0.00 179.45 177.89 3kuk h LYS 304 N -0.36 0.05 -0.22 1.90 6.56 -0.94 -2.73 116.57 120.84 3kuk h LYS 304 Ca 0.13 -0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.71 3kuk h LYS 304 Cb 0.58 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.22 3kuk h LYS 304 CO -0.51 0.03 0.12 0.00 -2.06 0.00 0.00 179.45 177.04 3kuk h ARG 305 N 0.05 0.30 0.16 3.15 2.47 -0.96 -2.69 114.38 116.86 3kuk h ARG 305 Ca 0.16 -0.02 -0.31 0.00 -1.26 0.00 0.00 59.98 58.54 3kuk h ARG 305 Cb 0.22 -0.06 0.01 0.00 -1.65 0.00 0.00 29.97 28.49 3kuk h ARG 305 CO -0.29 0.22 -1.49 -0.07 0.56 0.00 0.00 179.97 178.90 3kuk h LEU 306 N 0.30 0.54 -0.89 3.04 3.38 -1.22 -3.26 115.31 117.20 3kuk h LEU 306 Ca 0.08 -0.67 0.06 0.00 0.09 0.00 0.00 57.88 57.44 3kuk h LEU 306 Cb 0.01 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.52 3kuk h LEU 306 CO -0.01 1.55 0.56 0.24 0.09 0.00 0.00 178.44 180.87 3kuk h MET 307 N 0.09 1.00 0.00 1.13 2.86 -1.21 -3.52 114.93 115.29 3kuk h MET 307 Ca -0.24 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 3kuk h MET 307 Cb 2.06 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 33.49 3kuk h MET 307 CO 0.20 0.66 0.00 1.04 1.06 0.00 0.00 176.91 179.88