#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kuk s ASN 15 N 0.00 6.70 0.48 0.26 2.20 -1.26 -5.01 114.94 118.31 3kuk s ASN 15 Ca 0.00 0.69 -0.21 0.00 -0.94 0.00 0.00 52.86 52.40 3kuk s ASN 15 Cb 0.00 -2.44 -0.08 0.00 -2.00 0.00 0.00 41.25 36.73 3kuk s ASN 15 CO 0.00 -0.70 1.07 -1.81 -2.94 0.00 0.00 177.10 172.72 3kuk s ASP 16 N 1.67 6.27 0.57 3.54 1.01 -1.26 -4.41 116.67 124.06 3kuk s ASP 16 Ca 0.35 2.02 -0.19 0.00 0.71 0.00 0.00 52.55 55.44 3kuk s ASP 16 Cb -0.13 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.18 3kuk s ASP 16 CO 0.14 -0.83 1.18 -0.76 0.21 0.00 0.00 175.17 175.11 3kuk s LEU 17 N -3.38 3.71 -0.11 1.23 1.43 -1.26 -2.16 118.68 118.14 3kuk s LEU 17 Ca 0.67 2.32 -0.29 0.00 -1.03 0.00 0.00 54.13 55.79 3kuk s LEU 17 Cb -0.20 -4.58 -0.03 0.00 0.03 0.00 0.00 46.19 41.42 3kuk s LEU 17 CO 0.24 -1.44 1.41 -0.69 0.23 0.00 0.00 176.35 176.10 3kuk s VAL 18 N -1.65 3.99 0.15 -1.59 1.01 -0.90 -4.93 120.40 116.48 3kuk s VAL 18 Ca 0.75 1.22 0.04 0.00 0.00 0.00 0.00 61.98 63.99 3kuk s VAL 18 Cb -0.28 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 3kuk s VAL 18 CO 0.31 -0.10 0.21 -1.10 0.00 0.00 0.00 175.10 174.42 3kuk s GLN 19 N 3.57 3.17 0.56 2.72 -1.52 -1.26 -4.64 119.66 122.25 3kuk s GLN 19 Ca 0.62 -0.72 0.09 0.00 -1.95 0.00 0.00 55.36 53.40 3kuk s GLN 19 Cb -0.27 -2.81 0.07 0.00 -0.22 0.00 0.00 33.01 29.79 3kuk s GLN 19 CO 0.21 0.51 0.71 -0.51 -0.25 0.00 0.00 175.29 175.96 3kuk s LEU 20 N -3.12 3.08 -0.21 2.90 1.43 -1.26 -4.96 118.68 116.54 3kuk s LEU 20 Ca 0.33 -0.88 0.15 0.00 -1.03 0.00 0.00 54.13 52.69 3kuk s LEU 20 Cb -0.11 -1.63 0.45 0.00 0.03 0.00 0.00 46.19 44.93 3kuk s LEU 20 CO 0.26 -1.26 1.18 0.00 0.23 0.00 0.00 176.35 176.76 3kuk s ASN 22 N -3.27 1.48 0.37 0.00 2.47 -1.26 -5.03 114.94 109.70 3kuk s ASN 22 Ca 0.40 -0.34 0.27 0.00 0.42 0.00 0.00 52.86 53.61 3kuk s ASN 22 Cb 0.38 0.40 1.22 0.00 -1.45 0.00 0.00 41.25 41.79 3kuk s ASN 22 CO -0.04 -0.34 1.82 -0.65 -3.72 0.00 0.00 177.10 174.17 3kuk h PRO 23 N 8.30 0.00 -0.12 0.43 0.11 -2.04 -3.17 132.00 135.51 3kuk h PRO 23 Ca -0.17 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.86 3kuk h PRO 23 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3kuk h PRO 23 CO 0.30 0.00 -0.28 0.45 -0.21 0.00 0.00 178.00 178.26 3kuk h HIS 24 N 0.00 0.25 -0.58 0.65 3.86 -1.99 -3.21 115.15 114.13 3kuk h HIS 24 Ca 0.00 -0.05 -0.07 0.00 -1.16 0.00 0.00 60.37 59.09 3kuk h HIS 24 Cb 0.31 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 3kuk h HIS 24 CO 0.00 0.49 0.09 0.82 0.86 0.00 0.00 177.93 180.18 3kuk h ILE 25 N 0.20 1.25 -0.22 2.45 1.08 -1.97 -1.97 117.51 118.33 3kuk h ILE 25 Ca 0.03 -0.97 0.06 0.00 -0.39 0.00 0.00 64.86 63.60 3kuk h ILE 25 Cb 0.60 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 35.05 3kuk h ILE 25 CO 0.04 0.36 0.21 0.00 -0.69 0.00 0.00 178.15 178.07 3kuk h ALA 26 N 1.20 1.95 -0.53 1.87 0.00 -1.78 -2.78 119.26 119.19 3kuk h ALA 26 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kuk h ALA 26 Cb 0.40 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3kuk h ALA 26 CO 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 179.25 178.93 3kuk n ALA 27 N -2.41 2.66 -2.80 0.00 0.00 -0.75 -4.95 120.51 112.26 3kuk n ALA 27 Ca 0.02 -1.50 -0.36 0.00 0.00 0.00 0.00 53.44 51.61 3kuk n ALA 27 Cb 0.35 -0.78 -0.07 0.00 0.00 0.00 0.00 19.45 18.95 3kuk n ALA 27 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3kuk s MET 28 N -1.55 3.82 0.45 0.00 1.00 -1.05 -4.99 119.30 116.98 3kuk s MET 28 Ca 0.41 -0.14 0.25 0.00 0.00 0.00 0.00 55.69 56.21 3kuk s MET 28 Cb 0.25 -3.30 0.57 0.00 0.00 0.00 0.00 34.83 32.35 3kuk s MET 28 CO 0.22 0.54 1.69 1.57 0.00 0.00 0.00 175.02 179.04 3kuk h LYS 29 N 5.78 0.00 -3.43 2.03 2.10 -1.92 -3.43 116.57 117.70 3kuk h LYS 29 Ca -0.48 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 57.94 3kuk h LYS 29 Cb 1.19 0.00 -0.30 0.00 -0.90 0.00 0.00 32.23 32.23 3kuk h LYS 29 CO 0.67 0.07 -0.63 -2.00 -2.00 0.00 0.00 179.45 175.56 3kuk s GLU 30 N -3.31 0.08 -0.32 0.07 2.12 -1.26 -4.87 118.70 111.21 3kuk s GLU 30 Ca 0.05 0.21 -0.01 0.00 0.36 0.00 0.00 54.97 55.58 3kuk s GLU 30 Cb 0.06 -0.06 0.07 0.00 0.26 0.00 0.00 34.13 34.46 3kuk s GLU 30 CO 0.65 -0.08 0.03 0.34 -0.54 0.00 0.00 175.26 175.66 3kuk s ASP 31 N 0.54 4.88 -0.45 -1.70 2.15 -1.26 -5.00 116.67 115.83 3kuk s ASP 31 Ca -0.04 -1.54 -0.20 0.00 0.43 0.00 0.00 52.55 51.19 3kuk s ASP 31 Cb -0.06 -1.70 0.03 0.00 -0.30 0.00 0.00 42.92 40.89 3kuk s ASP 31 CO -0.02 -0.32 0.65 -0.63 -0.17 0.00 0.00 175.17 174.68 3kuk s ILE 32 N 1.17 4.82 -1.17 4.11 1.01 -1.26 -2.18 121.20 127.70 3kuk s ILE 32 Ca -0.01 0.01 -0.19 0.00 0.00 0.00 0.00 60.65 60.46 3kuk s ILE 32 Cb -0.20 -4.23 0.09 0.00 0.01 0.00 0.00 42.46 38.13 3kuk s ILE 32 CO -0.03 -0.65 1.54 -0.76 0.00 0.00 0.00 174.94 175.04 3kuk s LEU 33 N 2.82 4.09 0.20 2.97 1.43 0.23 -4.84 118.68 125.59 3kuk s LEU 33 Ca 0.21 -2.22 -0.10 0.00 -1.03 0.00 0.00 54.13 50.99 3kuk s LEU 33 Cb -0.15 -2.53 0.22 0.00 0.03 0.00 0.00 46.19 43.76 3kuk s LEU 33 CO 0.18 -1.18 1.81 0.22 0.23 0.00 0.00 176.35 177.61 3kuk h TYR 34 N 8.26 0.66 0.00 0.29 3.20 -1.94 -0.06 116.97 127.38 3kuk h TYR 34 Ca 0.32 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.22 3kuk h TYR 34 Cb 0.93 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.99 3kuk h TYR 34 CO 1.30 0.33 -0.04 0.72 -1.64 0.00 0.00 178.16 178.83 3kuk n HIS 35 N -4.79 0.24 0.65 -3.82 8.25 -1.26 -2.38 115.22 112.11 3kuk n HIS 35 Ca 0.08 0.07 0.11 0.00 -0.26 0.00 0.00 57.72 57.71 3kuk n HIS 35 Cb 0.16 -0.60 -0.09 0.00 1.12 0.00 0.00 29.99 30.58 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 -1.70 0.06 -3.51 4.41 0.99 -0.67 -4.02 117.46 113.01 3kuk n PHE 36 Ca 0.06 0.02 -0.19 0.00 -0.00 0.00 0.00 57.45 57.34 3kuk n PHE 36 Cb 0.36 -0.23 0.08 0.00 -1.00 0.00 0.00 39.48 38.69 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 -1.79 -2.36 -4.11 4.37 2.88 -0.12 -4.57 113.62 107.91 3kuk n SER 37 Ca 0.02 -0.65 -0.13 0.00 -1.33 0.00 0.00 58.87 56.77 3kuk n SER 37 Cb 0.41 -4.89 -0.11 0.00 -0.75 0.00 0.00 64.21 58.88 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 -6.54 2.32 -0.17 2.46 1.02 -0.96 -4.92 118.68 111.89 3kuk s LEU 38 Ca 0.07 -0.67 -0.19 0.00 0.02 0.00 0.00 54.13 53.37 3kuk s LEU 38 Cb -0.03 -0.20 0.05 0.00 0.02 0.00 0.00 46.19 46.03 3kuk s LEU 38 CO 0.75 -0.24 0.51 -0.55 0.02 0.00 0.00 176.35 176.84 3kuk s SER 39 N -1.95 -0.52 0.57 2.29 0.15 -1.26 0.78 113.70 113.76 3kuk s SER 39 Ca -0.04 0.94 0.27 0.00 0.70 0.00 0.00 55.95 57.82 3kuk s SER 39 Cb -0.07 0.96 1.55 0.00 -1.71 0.00 0.00 66.02 66.75 3kuk s SER 39 CO -0.00 -0.23 2.06 0.71 1.20 0.00 0.00 173.24 176.97 3kuk h THR 40 N 4.19 0.57 -0.00 6.45 1.35 -1.66 0.21 112.91 124.01 3kuk h THR 40 Ca -0.28 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 3kuk h THR 40 Cb 1.17 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3kuk h THR 40 CO 0.21 0.00 -0.23 -1.54 -0.25 0.00 0.00 175.52 173.71 3kuk n SER 41 N -3.99 0.41 0.00 5.36 3.41 -1.26 -3.97 113.62 113.58 3kuk n SER 41 Ca 0.04 -0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 3kuk n SER 41 Cb 0.40 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 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 -1.25 0.00 -4.35 6.66 -2.24 -0.32 -5.07 114.28 107.72 3kuk n THR 42 Ca 0.09 -0.31 -0.18 0.00 -2.27 0.00 0.00 64.05 61.38 3kuk n THR 42 Cb 0.32 0.93 -0.15 0.00 -2.10 0.00 0.00 70.33 69.34 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 -0.75 0.79 -0.59 4.78 4.02 0.59 -4.95 115.29 119.18 3kuk s HIS 43 Ca 0.00 -0.16 -0.19 0.00 1.02 0.00 0.00 55.06 55.73 3kuk s HIS 43 Cb 0.00 -0.51 0.10 0.00 -1.02 0.00 0.00 32.58 31.15 3kuk s HIS 43 CO 0.00 -0.01 0.70 0.34 1.02 0.00 0.00 174.74 176.79 3kuk s ASP 44 N -0.24 6.18 0.05 1.40 3.68 -1.26 -4.48 116.67 122.00 3kuk s ASP 44 Ca 0.03 -1.40 -0.22 0.00 2.13 0.00 0.00 52.55 53.09 3kuk s ASP 44 Cb -0.04 -2.30 -0.14 0.00 -1.45 0.00 0.00 42.92 38.99 3kuk s ASP 44 CO -0.00 -1.11 1.48 -0.26 0.13 0.00 0.00 175.17 175.41 3kuk h PHE 45 N 9.18 0.22 -0.57 -5.34 -1.00 -1.92 -2.13 116.94 115.38 3kuk h PHE 45 Ca -0.29 -0.04 0.10 0.00 2.81 0.00 0.00 57.97 60.55 3kuk h PHE 45 Cb 1.09 -0.06 -0.08 0.00 3.61 0.00 0.00 35.95 40.51 3kuk h PHE 45 CO 0.83 0.44 0.15 -1.35 -1.61 0.00 0.00 178.31 176.77 3kuk h PRO 46 N -0.07 0.28 -0.19 1.51 0.11 -1.72 0.11 132.00 132.04 3kuk h PRO 46 Ca 0.03 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.07 3kuk h PRO 46 Cb 0.36 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 3kuk h PRO 46 CO 0.01 0.19 -0.11 0.00 -0.21 0.00 0.00 178.00 177.88 3kuk h ALA 47 N 1.43 1.47 0.01 -0.75 0.00 -1.85 0.11 119.26 119.68 3kuk h ALA 47 Ca 0.29 -0.21 -0.28 0.00 0.00 0.00 0.00 54.91 54.71 3kuk h ALA 47 Cb 0.41 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3kuk h ALA 47 CO -0.35 0.37 -1.62 0.52 0.00 0.00 0.00 179.25 178.17 3kuk h MET 48 N 0.29 0.02 0.00 0.00 2.86 -0.70 -3.42 114.93 113.97 3kuk h MET 48 Ca 0.06 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3kuk h MET 48 Cb 0.37 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.04 3kuk h MET 48 CO 0.02 0.61 -0.06 1.19 1.06 0.00 0.00 176.91 179.73 3kuk n PHE 49 N -3.12 0.00 -0.11 -0.22 3.01 0.33 -4.86 117.46 112.48 3kuk n PHE 49 Ca -0.15 0.00 0.27 0.00 1.01 0.00 0.00 57.45 58.58 3kuk n PHE 49 Cb 1.04 0.00 0.67 0.00 -0.01 0.00 0.00 39.48 41.17 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 -1.38 1.37 0.00 -0.81 0.28 103.07 102.53 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 0.00 2.09 0.00 0.00 0.00 176.54 178.63 3kuk n ASP 51 N -3.69 2.44 -4.77 0.19 3.85 -1.26 -4.53 116.55 108.78 3kuk n ASP 51 Ca 0.17 -1.81 -0.40 0.00 -0.71 0.00 0.00 54.79 52.04 3kuk n ASP 51 Cb 1.06 -0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 40.82 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 -2.00 2.62 0.00 2.12 1.01 1.00 -4.37 120.40 120.78 3kuk s VAL 52 Ca 0.32 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.88 3kuk s VAL 52 Cb 0.20 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 33.23 3kuk s VAL 52 CO 0.31 0.11 0.00 0.29 0.00 0.00 0.00 175.10 175.81 3kuk n LYS 53 N 0.39 2.01 -4.10 2.72 4.76 -0.10 -4.56 118.16 119.28 3kuk n LYS 53 Ca 0.02 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.14 3kuk n LYS 53 Cb 0.43 -0.55 -0.16 0.00 -1.84 0.00 0.00 35.03 32.90 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 -0.81 2.70 -0.21 2.13 0.40 -0.36 -1.12 117.98 120.70 3kuk s PHE 54 Ca 0.00 -1.61 -0.06 0.00 -0.60 0.00 0.00 56.93 54.66 3kuk s PHE 54 Cb 0.00 -1.86 -0.03 0.00 0.51 0.00 0.00 43.02 41.64 3kuk s PHE 54 CO 0.00 -0.79 0.03 0.08 0.70 0.00 0.00 175.22 175.24 3kuk s VAL 55 N 1.32 4.19 -0.10 -0.44 1.01 0.06 -1.06 120.40 125.38 3kuk s VAL 55 Ca 0.04 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.82 3kuk s VAL 55 Cb -0.13 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 3kuk s VAL 55 CO -0.12 0.41 -0.16 0.00 0.00 0.00 0.00 175.10 175.22 3kuk s VAL 57 N -0.00 0.45 0.30 0.00 -7.23 -0.41 -0.84 120.40 112.66 3kuk s VAL 57 Ca -0.05 -0.18 -0.11 0.00 -1.81 0.00 0.00 61.98 59.83 3kuk s VAL 57 Cb -0.14 -0.42 0.01 0.00 0.56 0.00 0.00 36.38 36.39 3kuk s VAL 57 CO 0.04 0.15 0.54 -0.83 -0.31 0.00 0.00 175.10 174.70 3kuk s GLY 58 N 0.25 0.74 -0.03 2.32 0.00 -1.06 -0.29 107.32 109.25 3kuk s GLY 58 Ca -0.03 -1.00 -0.23 0.00 0.00 0.00 0.00 44.72 43.46 3kuk s GLY 58 CO -0.00 -0.65 1.07 -1.33 0.00 0.00 0.00 173.10 172.19 3kuk h GLY 59 N 2.16 -0.24 -5.13 0.20 0.00 -1.79 0.21 103.07 98.49 3kuk h GLY 59 Ca -0.27 0.09 -0.57 0.00 0.00 0.00 0.00 47.33 46.58 3kuk h GLY 59 CO 0.36 -0.09 -0.03 -0.45 0.00 0.00 0.00 176.54 176.34 3kuk s SER 60 N -5.41 6.89 0.29 0.19 0.15 -1.26 -1.33 113.70 113.22 3kuk s SER 60 Ca -0.14 1.06 0.03 0.00 0.70 0.00 0.00 55.95 57.60 3kuk s SER 60 Cb 0.01 -2.35 0.46 0.00 -1.71 0.00 0.00 66.02 62.43 3kuk s SER 60 CO 0.54 0.02 1.77 -0.65 1.20 0.00 0.00 173.24 176.12 3kuk h PRO 61 N 6.25 0.52 -0.52 5.44 0.11 -1.95 -2.09 132.00 139.76 3kuk h PRO 61 Ca -0.43 -0.16 -0.11 0.00 0.11 0.00 0.00 66.00 65.40 3kuk h PRO 61 Cb 1.19 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3kuk h PRO 61 CO 0.73 0.66 -0.12 0.66 -0.21 0.00 0.00 178.00 179.72 3kuk h SER 62 N 0.48 0.99 -0.27 -2.05 4.64 -1.99 -0.82 113.55 114.53 3kuk h SER 62 Ca 0.08 -0.33 -0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3kuk h SER 62 Cb 0.55 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 3kuk h SER 62 CO 0.04 1.11 0.15 -0.09 -0.87 0.00 0.00 176.83 177.17 3kuk h ARG 63 N 0.88 0.37 0.00 4.77 2.43 -1.93 -1.15 114.38 119.75 3kuk h ARG 63 Ca 0.14 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3kuk h ARG 63 Cb 0.68 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3kuk h ARG 63 CO 0.05 0.31 0.00 0.52 -1.51 0.00 0.00 179.97 179.34 3kuk h MET 64 N 0.33 0.00 0.07 0.20 2.86 -1.08 -0.54 114.93 116.77 3kuk h MET 64 Ca 0.10 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3kuk h MET 64 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 3kuk h MET 64 CO -0.02 0.00 -0.03 -0.22 1.06 0.00 0.00 176.91 177.70 3kuk h LYS 65 N 0.00 -0.09 -1.10 1.72 3.64 -0.90 -2.76 116.57 117.07 3kuk h LYS 65 Ca 0.00 0.01 0.32 0.00 -1.27 0.00 0.00 60.65 59.70 3kuk h LYS 65 Cb 0.52 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.31 3kuk h LYS 65 CO 0.00 0.48 0.79 0.00 -2.27 0.00 0.00 179.45 178.44 3kuk h ALA 66 N -0.13 2.96 0.11 5.00 0.00 -0.72 -0.16 119.26 126.32 3kuk h ALA 66 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3kuk h ALA 66 Cb 0.61 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3kuk h ALA 66 CO 0.02 -1.29 -0.05 0.35 0.00 0.00 0.00 179.25 178.28 3kuk h PHE 67 N 0.04 -0.13 -0.23 0.00 3.04 -1.10 0.15 116.94 118.72 3kuk h PHE 67 Ca 0.54 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.50 3kuk h PHE 67 Cb 2.05 0.04 -0.01 0.00 2.56 0.00 0.00 35.95 40.60 3kuk h PHE 67 CO -0.00 0.37 0.15 0.97 -2.02 0.00 0.00 178.31 177.79 3kuk h ILE 68 N -0.79 1.02 0.17 1.41 6.09 -0.90 0.12 117.51 124.64 3kuk h ILE 68 Ca -0.01 -0.08 -0.01 0.00 -1.37 0.00 0.00 64.86 63.38 3kuk h ILE 68 Cb 0.57 0.76 0.00 0.00 0.47 0.00 0.00 36.82 38.61 3kuk h ILE 68 CO 0.02 0.04 -0.08 0.11 -3.07 0.00 0.00 178.15 175.18 3kuk h LYS 69 N 0.24 -0.22 -1.00 2.19 1.57 -1.08 -2.21 116.57 116.06 3kuk h LYS 69 Ca 0.09 0.02 0.20 0.00 -1.87 0.00 0.00 60.65 59.09 3kuk h LYS 69 Cb 0.06 0.05 -0.10 0.00 0.08 0.00 0.00 32.23 32.32 3kuk h LYS 69 CO -0.02 0.19 0.61 -0.92 -0.57 0.00 0.00 179.45 178.75 3kuk h TYR 70 N -0.77 0.98 0.10 -1.35 3.20 0.15 -2.42 116.97 116.86 3kuk h TYR 70 Ca -0.02 0.03 -0.28 0.00 3.14 0.00 0.00 58.73 61.60 3kuk h TYR 70 Cb 0.52 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3kuk h TYR 70 CO 0.07 0.19 -1.36 -0.24 -1.64 0.00 0.00 178.16 175.19 3kuk h VAL 71 N 0.68 1.35 -0.58 1.81 3.04 -0.85 -3.20 116.25 118.50 3kuk h VAL 71 Ca 0.58 -2.98 0.04 0.00 -1.01 0.00 0.00 66.70 63.33 3kuk h VAL 71 Cb 1.02 2.82 -0.04 0.00 -2.01 0.00 0.00 31.29 33.08 3kuk h VAL 71 CO -0.37 0.85 0.33 0.00 -1.01 0.00 0.00 177.57 177.37 3kuk h ALA 72 N 0.62 0.75 -0.83 3.17 0.00 -0.90 -2.32 119.26 119.75 3kuk h ALA 72 Ca -0.17 0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.86 3kuk h ALA 72 Cb 1.97 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 19.54 3kuk h ALA 72 CO 0.17 0.02 0.45 0.52 0.00 0.00 0.00 179.25 180.41 3kuk h MET 73 N 0.64 0.68 0.00 0.00 2.07 -1.54 0.25 114.93 117.02 3kuk h MET 73 Ca 0.24 -0.04 -0.02 0.00 -2.07 0.00 0.00 59.70 57.82 3kuk h MET 73 Cb 0.09 -0.15 -0.00 0.00 -1.87 0.00 0.00 31.60 29.66 3kuk h MET 73 CO -0.13 0.45 -0.08 0.93 1.07 0.00 0.00 176.91 179.15 3kuk h GLU 74 N 0.70 0.00 -0.61 1.72 4.39 -1.42 -2.81 114.58 116.55 3kuk h GLU 74 Ca 0.43 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.13 3kuk h GLU 74 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 3kuk h GLU 74 CO -0.31 0.08 0.00 1.28 -1.16 0.00 0.00 179.01 178.90 3kuk n LEU 75 N -3.14 4.31 -3.36 1.33 4.77 -1.04 -4.97 117.00 114.90 3kuk n LEU 75 Ca 0.03 -2.33 -0.19 0.00 -0.03 0.00 0.00 56.01 53.49 3kuk n LEU 75 Cb 0.48 -0.51 0.07 0.00 -2.33 0.00 0.00 43.42 41.12 3kuk n LEU 75 CO 0.33 0.84 0.01 0.61 -1.33 0.00 0.00 177.39 177.85 3kuk n GLY 76 N 1.06 -1.04 0.07 -0.72 0.00 -1.00 -4.92 105.19 98.65 3kuk n GLY 76 Ca 0.24 0.51 0.04 0.00 0.00 0.00 0.00 46.02 46.81 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 -3.52 0.00 -0.76 1.61 3.01 0.83 -5.02 117.46 113.61 3kuk n PHE 77 Ca -0.10 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.07 3kuk n PHE 77 Cb 0.62 0.00 0.21 0.00 -0.01 0.00 0.00 39.48 40.30 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 -1.65 0.37 0.00 4.37 0.00 -1.20 -4.91 121.76 118.74 3kuk s ALA 78 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.99 3kuk s ALA 78 Cb 0.07 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.93 3kuk s ALA 78 CO 0.32 -3.29 0.00 0.72 0.00 0.00 0.00 175.76 173.51 3kuk n HIS 79 N -4.54 0.00 0.00 0.00 8.25 -1.26 -5.03 115.22 112.64 3kuk n HIS 79 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 3kuk n HIS 79 Cb 0.54 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.65 3kuk n HIS 79 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kuk n ALA 82 N -2.40 0.00 -2.32 -1.41 0.00 -1.26 -5.18 120.51 107.95 3kuk n ALA 82 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 3kuk n ALA 82 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 0.00 6.81 -0.62 0.00 2.15 -1.26 -5.05 116.67 118.70 3kuk s ASP 83 Ca 0.00 1.10 0.04 0.00 0.43 0.00 0.00 52.55 54.12 3kuk s ASP 83 Cb 0.00 -2.30 0.15 0.00 -0.30 0.00 0.00 42.92 40.48 3kuk s ASP 83 CO 0.00 0.04 0.39 -0.31 -0.17 0.00 0.00 175.17 175.12 3kuk s TYR 84 N -1.58 3.39 0.50 -5.34 2.02 -1.26 -5.10 117.35 109.99 3kuk s TYR 84 Ca 0.42 -3.21 -0.23 0.00 -0.37 0.00 0.00 57.07 53.68 3kuk s TYR 84 Cb -0.14 -2.83 -0.07 0.00 -0.40 0.00 0.00 41.96 38.53 3kuk s TYR 84 CO 0.20 -0.67 1.34 -2.30 -1.57 0.00 0.00 175.55 172.55 3kuk n PRO 85 N 2.64 1.84 -2.85 -1.71 -0.02 -1.26 -4.96 135.00 128.68 3kuk n PRO 85 Ca 0.12 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.84 3kuk n PRO 85 Cb 0.34 -2.53 -0.04 0.00 -0.02 0.00 0.00 33.50 31.25 3kuk n PRO 85 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3kuk s ASN 86 N -0.74 6.78 0.40 2.55 3.84 -1.26 -4.64 114.94 121.86 3kuk s ASN 86 Ca 0.67 0.86 0.29 0.00 0.21 0.00 0.00 52.86 54.88 3kuk s ASN 86 Cb -0.44 -2.45 1.19 0.00 -0.55 0.00 0.00 41.25 39.00 3kuk s ASN 86 CO 0.53 -0.66 1.85 0.40 -2.79 0.00 0.00 177.10 176.43 3kuk h ILE 87 N 5.59 0.00 -1.83 -5.21 2.04 -0.91 -3.04 117.51 114.15 3kuk h ILE 87 Ca -0.23 -0.34 -0.74 0.00 1.00 0.00 0.00 64.86 64.55 3kuk h ILE 87 Cb 1.09 1.20 -0.29 0.00 -0.74 0.00 0.00 36.82 38.07 3kuk h ILE 87 CO 0.92 0.00 0.82 0.00 0.00 0.00 0.00 178.15 179.89 3kuk s GLU 89 N -3.99 4.51 0.00 0.00 0.41 -1.15 -3.03 118.70 115.45 3kuk s GLU 89 Ca 0.53 1.61 0.00 0.00 -0.41 0.00 0.00 54.97 56.70 3kuk s GLU 89 Cb 0.44 -2.95 0.00 0.00 -1.78 0.00 0.00 34.13 29.85 3kuk s GLU 89 CO -0.35 0.14 0.00 0.41 -0.49 0.00 0.00 175.26 174.98 3kuk n GLY 90 N 0.88 0.75 3.31 -1.39 0.00 -1.26 -4.94 105.19 102.54 3kuk n GLY 90 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.04 0.07 -0.03 2.61 -1.32 -1.17 -4.90 115.64 108.86 3kuk s THR 91 Ca 0.00 -0.61 0.06 0.00 -1.21 0.00 0.00 61.69 59.93 3kuk s THR 91 Cb 0.00 -1.18 0.09 0.00 -1.51 0.00 0.00 72.50 69.90 3kuk s THR 91 CO 0.00 -0.33 1.05 -0.90 -2.21 0.00 0.00 174.62 172.22 3kuk n ASP 92 N -0.22 0.60 0.02 8.08 3.85 -1.26 -4.79 116.55 122.84 3kuk n ASP 92 Ca -0.16 -2.28 -0.18 0.00 -0.71 0.00 0.00 54.79 51.47 3kuk n ASP 92 Cb 0.64 -0.26 -0.08 0.00 -1.35 0.00 0.00 41.12 40.07 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 0.07 0.69 -3.13 0.11 2.47 -1.93 -3.46 114.38 109.20 3kuk h ARG 93 Ca -0.01 -0.67 -0.15 0.00 -1.26 0.00 0.00 59.98 57.90 3kuk h ARG 93 Cb 1.33 0.17 -0.23 0.00 -1.65 0.00 0.00 29.97 29.59 3kuk h ARG 93 CO 0.00 1.26 -0.38 0.71 0.56 0.00 0.00 179.97 182.13 3kuk s TYR 94 N -3.48 -0.22 0.03 3.04 1.51 -1.26 -4.85 117.35 112.12 3kuk s TYR 94 Ca -0.09 0.48 0.01 0.00 -1.01 0.00 0.00 57.07 56.46 3kuk s TYR 94 Cb 0.08 0.08 -0.04 0.00 -0.11 0.00 0.00 41.96 41.97 3kuk s TYR 94 CO 0.91 -0.23 0.10 0.00 -1.11 0.00 0.00 175.55 175.22 3kuk s ALA 95 N -0.45 3.64 -0.07 3.71 0.00 -1.26 -4.70 121.76 122.63 3kuk s ALA 95 Ca -0.06 -0.91 -0.06 0.00 0.00 0.00 0.00 51.96 50.94 3kuk s ALA 95 Cb -0.04 -1.58 0.02 0.00 0.00 0.00 0.00 23.12 21.53 3kuk s ALA 95 CO 0.01 0.73 0.19 1.41 0.00 0.00 0.00 175.76 178.10 3kuk s MET 96 N -2.03 0.20 0.02 0.00 0.00 -1.26 -1.48 119.30 114.75 3kuk s MET 96 Ca 0.26 0.31 0.00 0.00 0.00 0.00 0.00 55.69 56.27 3kuk s MET 96 Cb -0.12 0.04 -0.02 0.00 0.00 0.00 0.00 34.83 34.73 3kuk s MET 96 CO 0.18 -0.06 -0.03 -0.06 0.00 0.00 0.00 175.02 175.05 3kuk s PHE 97 N 0.41 0.26 -0.01 4.11 0.40 0.11 -0.14 117.98 123.11 3kuk s PHE 97 Ca -0.03 -0.39 0.02 0.00 -0.60 0.00 0.00 56.93 55.94 3kuk s PHE 97 Cb -0.04 -0.18 -0.00 0.00 0.51 0.00 0.00 43.02 43.31 3kuk s PHE 97 CO -0.02 -0.13 -0.07 0.21 0.70 0.00 0.00 175.22 175.92 3kuk s LYS 98 N -1.08 0.63 -0.12 0.44 2.20 -1.26 0.18 119.74 120.73 3kuk s LYS 98 Ca -0.11 -0.23 -0.04 0.00 -0.36 0.00 0.00 55.97 55.23 3kuk s LYS 98 Cb -0.07 -0.61 0.05 0.00 -1.51 0.00 0.00 37.83 35.69 3kuk s LYS 98 CO -0.01 0.12 0.10 0.08 -0.36 0.00 0.00 175.35 175.28 3kuk s VAL 99 N 0.00 -0.14 0.00 4.02 1.01 -0.39 -4.99 120.40 119.92 3kuk s VAL 99 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.09 3kuk s VAL 99 Cb -0.05 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.93 3kuk s VAL 99 CO -0.00 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.64 3kuk n GLY 100 N 5.30 3.60 0.63 4.51 0.00 -1.26 -1.43 105.19 116.54 3kuk n GLY 100 Ca -0.05 -0.03 0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 14.00 1.83 -3.98 1.61 -0.05 -1.26 -4.64 135.00 142.51 3kuk n PRO 101 Ca 0.00 -1.07 -0.34 0.00 -0.05 0.00 0.00 63.50 62.04 3kuk n PRO 101 Cb 0.00 -1.34 -0.15 0.00 -0.05 0.00 0.00 33.50 31.97 3kuk n PRO 101 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 3kuk s VAL 102 N -1.63 2.87 -0.17 0.52 1.01 -0.51 -0.93 120.40 121.56 3kuk s VAL 102 Ca 0.19 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.30 3kuk s VAL 102 Cb 0.11 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 3kuk s VAL 102 CO 0.12 0.36 0.08 -0.22 0.00 0.00 0.00 175.10 175.43 3kuk s LEU 103 N 1.37 3.93 -0.15 3.92 2.96 -0.22 -1.26 118.68 129.23 3kuk s LEU 103 Ca 0.03 0.16 0.02 0.00 -0.22 0.00 0.00 54.13 54.13 3kuk s LEU 103 Cb -0.15 -1.98 0.01 0.00 0.50 0.00 0.00 46.19 44.57 3kuk s LEU 103 CO -0.06 0.23 -0.21 -0.55 -1.32 0.00 0.00 176.35 174.44 3kuk s SER 104 N 0.04 3.19 -0.03 3.68 0.15 0.13 -0.54 113.70 120.32 3kuk s SER 104 Ca 0.06 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.13 3kuk s SER 104 Cb -0.12 -1.47 0.03 0.00 -1.71 0.00 0.00 66.02 62.75 3kuk s SER 104 CO 0.01 0.07 0.00 -0.69 1.20 0.00 0.00 173.24 173.83 3kuk s VAL 105 N 0.86 0.18 0.64 4.45 1.01 -0.02 0.05 120.40 127.57 3kuk s VAL 105 Ca -0.06 0.08 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 3kuk s VAL 105 Cb -0.15 -0.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 3kuk s VAL 105 CO -0.03 0.14 1.04 -0.94 0.00 0.00 0.00 175.10 175.32 3kuk s SER 106 N 1.01 5.99 0.00 3.32 1.04 -0.55 -2.57 113.70 121.93 3kuk s SER 106 Ca -0.10 1.31 0.00 0.00 0.48 0.00 0.00 55.95 57.64 3kuk s SER 106 Cb -0.14 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.70 3kuk s SER 106 CO -0.02 -1.01 0.00 0.00 0.98 0.00 0.00 173.24 173.20 3kuk n HIS 107 N -2.81 0.00 -4.51 5.02 1.44 0.75 -4.59 115.22 110.53 3kuk n HIS 107 Ca 0.06 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.77 3kuk n HIS 107 Cb 0.55 0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.67 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 -0.23 3.38 -1.39 0.00 -0.44 -3.55 105.19 102.96 3kuk n GLY 108 Ca 0.00 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 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 2.26 0.00 1.61 -1.94 -1.26 -4.35 119.30 115.62 3kuk s MET 109 Ca 0.00 -0.84 0.00 0.00 -1.71 0.00 0.00 55.69 53.14 3kuk s MET 109 Cb 0.00 -2.17 0.00 0.00 2.01 0.00 0.00 34.83 34.67 3kuk s MET 109 CO 0.00 0.59 0.00 0.41 -0.01 0.00 0.00 175.02 176.01 3kuk n GLY 110 N 2.39 2.02 0.21 -0.03 0.00 -1.26 -4.49 105.19 104.03 3kuk n GLY 110 Ca -0.16 -1.76 -0.02 0.00 0.00 0.00 0.00 46.02 44.07 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 0.81 -0.11 1.61 2.07 -1.77 -2.29 116.25 116.57 3kuk h VAL 111 Ca 0.00 -0.12 -0.17 0.00 0.82 0.00 0.00 66.70 67.23 3kuk h VAL 111 Cb 0.00 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 3kuk h VAL 111 CO 0.00 0.07 -0.65 -0.65 0.02 0.00 0.00 177.57 176.36 3kuk h PRO 112 N 0.36 0.41 -0.46 1.57 0.11 -1.91 0.12 132.00 132.20 3kuk h PRO 112 Ca 0.25 -0.30 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 3kuk h PRO 112 Cb 0.28 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.42 3kuk h PRO 112 CO -0.26 0.92 0.18 1.03 -0.21 0.00 0.00 178.00 179.66 3kuk h SER 113 N 0.30 0.64 0.41 -2.05 0.87 -1.75 -2.51 113.55 109.45 3kuk h SER 113 Ca -0.01 -0.17 -0.18 0.00 -1.23 0.00 0.00 61.79 60.20 3kuk h SER 113 Cb 1.20 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 3kuk h SER 113 CO 0.11 0.63 -0.74 -0.29 -0.53 0.00 0.00 176.83 176.01 3kuk h ILE 114 N 0.60 1.42 -0.78 2.23 2.10 -1.27 -3.07 117.51 118.74 3kuk h ILE 114 Ca 0.15 -2.25 0.08 0.00 1.08 0.00 0.00 64.86 63.92 3kuk h ILE 114 Cb 0.20 2.20 -0.06 0.00 -1.09 0.00 0.00 36.82 38.06 3kuk h ILE 114 CO -0.01 0.67 0.45 0.00 -1.08 0.00 0.00 178.15 178.17 3kuk h ALA 115 N 1.03 1.08 0.52 0.18 0.00 -0.62 0.67 119.26 122.12 3kuk h ALA 115 Ca -0.03 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3kuk h ALA 115 Cb 1.31 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.96 3kuk h ALA 115 CO 0.12 0.12 -0.25 0.82 0.00 0.00 0.00 179.25 180.06 3kuk h ILE 116 N 0.79 0.48 -0.78 0.00 2.04 -1.41 -1.55 117.51 117.09 3kuk h ILE 116 Ca 0.36 -0.10 0.18 0.00 1.00 0.00 0.00 64.86 66.30 3kuk h ILE 116 Cb 0.27 0.53 -0.13 0.00 -0.74 0.00 0.00 36.82 36.75 3kuk h ILE 116 CO -0.21 0.02 0.12 -0.03 0.00 0.00 0.00 178.15 178.04 3kuk h MET 117 N -0.76 0.18 -0.31 2.37 4.05 -1.36 -1.06 114.93 118.04 3kuk h MET 117 Ca -0.07 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.31 3kuk h MET 117 Cb 0.56 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.31 3kuk h MET 117 CO 0.12 0.12 0.06 -0.07 0.23 0.00 0.00 176.91 177.37 3kuk h LEU 118 N 0.18 0.48 -0.69 3.39 3.38 -0.74 0.86 115.31 122.18 3kuk h LEU 118 Ca 0.44 -0.25 0.09 0.00 0.09 0.00 0.00 57.88 58.25 3kuk h LEU 118 Cb 0.81 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.36 3kuk h LEU 118 CO -0.61 0.60 0.35 0.45 0.09 0.00 0.00 178.44 179.32 3kuk h HIS 119 N 0.33 0.62 0.00 1.13 3.86 -0.17 0.13 115.15 121.06 3kuk h HIS 119 Ca 0.09 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.26 3kuk h HIS 119 Cb 0.32 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 3kuk h HIS 119 CO 0.02 0.24 -0.66 0.93 0.86 0.00 0.00 177.93 179.32 3kuk h GLU 120 N 0.60 0.00 0.22 2.45 5.08 -1.24 -3.07 114.58 118.63 3kuk h GLU 120 Ca 0.33 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.68 3kuk h GLU 120 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3kuk h GLU 120 CO -0.25 0.26 -0.11 1.25 -1.00 0.00 0.00 179.01 179.16 3kuk h LEU 121 N 0.00 -0.25 -0.53 1.33 5.85 0.03 -2.08 115.31 119.65 3kuk h LEU 121 Ca -0.04 -0.28 0.07 0.00 0.84 0.00 0.00 57.88 58.48 3kuk h LEU 121 Cb 1.28 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.31 3kuk h LEU 121 CO 0.04 0.23 0.20 0.40 -0.34 0.00 0.00 178.44 178.97 3kuk h ILE 122 N -0.83 0.83 -0.78 4.05 2.04 -0.87 -0.87 117.51 121.08 3kuk h ILE 122 Ca -0.03 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 65.74 3kuk h ILE 122 Cb 0.51 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 3kuk h ILE 122 CO 0.05 0.07 0.49 0.11 0.00 0.00 0.00 178.15 178.87 3kuk h LYS 123 N 0.39 0.89 -0.37 2.37 1.57 -1.59 -0.05 116.57 119.78 3kuk h LYS 123 Ca 0.26 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 59.03 3kuk h LYS 123 Cb 0.28 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 3kuk h LYS 123 CO -0.25 0.59 0.12 1.25 -0.57 0.00 0.00 179.45 180.59 3kuk h LEU 124 N 0.92 0.12 -1.13 2.94 6.46 -0.50 0.11 115.31 124.22 3kuk h LEU 124 Ca 0.33 0.04 0.01 0.00 -0.12 0.00 0.00 57.88 58.14 3kuk h LEU 124 Cb 0.09 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.02 3kuk h LEU 124 CO -0.14 0.10 0.58 -0.07 -0.62 0.00 0.00 178.44 178.29 3kuk h LEU 125 N 0.27 1.01 -0.95 2.25 3.38 -0.30 0.11 115.31 121.08 3kuk h LEU 125 Ca 0.17 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 3kuk h LEU 125 Cb 0.16 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3kuk h LEU 125 CO -0.18 0.74 -0.45 0.22 0.09 0.00 0.00 178.44 178.85 3kuk h TYR 126 N 1.19 0.20 -0.00 1.13 5.03 -0.25 -1.70 116.97 122.56 3kuk h TYR 126 Ca 0.32 -0.06 -0.25 0.00 2.58 0.00 0.00 58.73 61.32 3kuk h TYR 126 Cb -0.13 -0.04 0.01 0.00 1.55 0.00 0.00 36.73 38.12 3kuk h TYR 126 CO 0.00 0.59 -1.00 0.45 -1.32 0.00 0.00 178.16 176.88 3kuk h HIS 127 N 0.14 0.86 0.00 -3.82 3.86 -0.18 -3.12 115.15 112.89 3kuk h HIS 127 Ca 0.01 -0.47 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 3kuk h HIS 127 Cb 0.85 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 29.22 3kuk h HIS 127 CO 0.01 1.30 0.00 0.00 0.86 0.00 0.00 177.93 180.10 3kuk n ALA 128 N -2.60 1.89 -2.53 2.45 0.00 0.33 -3.97 120.51 116.08 3kuk n ALA 128 Ca -0.09 -0.07 -0.20 0.00 0.00 0.00 0.00 53.44 53.09 3kuk n ALA 128 Cb 0.86 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.50 -1.16 -1.00 0.00 -0.00 -0.72 -3.87 115.22 106.97 3kuk n HIS 129 Ca 0.05 0.14 -0.33 0.00 -0.00 0.00 0.00 57.72 57.57 3kuk n HIS 129 Cb 0.23 -3.87 0.14 0.00 -0.00 0.00 0.00 29.99 26.48 3kuk n HIS 129 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3kuk s SER 131 N -2.21 -0.15 -1.07 0.00 1.04 -1.26 -2.11 113.70 107.93 3kuk s SER 131 Ca 0.71 0.13 -0.03 0.00 0.48 0.00 0.00 55.95 57.23 3kuk s SER 131 Cb -0.28 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.20 3kuk s SER 131 CO 0.53 -0.33 0.91 0.61 0.98 0.00 0.00 173.24 175.95 3kuk n GLY 132 N 1.79 -0.27 3.86 7.32 0.00 -0.92 -4.85 105.19 112.13 3kuk n GLY 132 Ca -0.19 0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.29 4.96 -0.09 1.61 1.01 -1.26 -4.82 120.40 118.52 3kuk s VAL 133 Ca 0.23 0.60 0.02 0.00 0.00 0.00 0.00 61.98 62.84 3kuk s VAL 133 Cb -0.10 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 3kuk s VAL 133 CO 0.61 0.20 -0.17 -0.89 0.00 0.00 0.00 175.10 174.85 3kuk s THR 134 N -1.51 2.73 -0.18 3.92 2.01 -0.28 -4.25 115.64 118.08 3kuk s THR 134 Ca 0.38 -0.80 -0.07 0.00 0.31 0.00 0.00 61.69 61.51 3kuk s THR 134 Cb -0.14 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 3kuk s THR 134 CO 0.19 0.55 0.04 -0.76 -0.69 0.00 0.00 174.62 173.96 3kuk s LEU 135 N -0.00 3.68 -0.06 4.42 1.02 -0.23 -0.76 118.68 126.74 3kuk s LEU 135 Ca -0.05 0.02 0.01 0.00 0.02 0.00 0.00 54.13 54.12 3kuk s LEU 135 Cb -0.15 -1.93 0.02 0.00 0.02 0.00 0.00 46.19 44.16 3kuk s LEU 135 CO 0.05 0.16 -0.06 -0.63 0.02 0.00 0.00 176.35 175.88 3kuk s ILE 136 N 0.47 0.69 -0.25 -0.59 1.01 -0.08 -1.06 121.20 121.38 3kuk s ILE 136 Ca 0.02 -0.19 -0.21 0.00 0.00 0.00 0.00 60.65 60.27 3kuk s ILE 136 Cb -0.13 -0.71 -0.02 0.00 0.01 0.00 0.00 42.46 41.62 3kuk s ILE 136 CO 0.01 0.27 0.66 -0.60 0.00 0.00 0.00 174.94 175.28 3kuk s ARG 137 N 1.06 4.13 -0.57 2.79 3.52 -0.56 -1.29 118.95 128.02 3kuk s ARG 137 Ca -0.08 0.61 -0.11 0.00 -0.13 0.00 0.00 55.73 56.01 3kuk s ARG 137 Cb -0.14 -3.65 0.15 0.00 -1.56 0.00 0.00 34.95 29.75 3kuk s ARG 137 CO -0.01 -0.42 0.47 0.96 -0.81 0.00 0.00 175.30 175.49 3kuk s ILE 138 N 2.52 4.62 0.00 4.11 -4.36 0.61 -1.14 121.20 127.56 3kuk s ILE 138 Ca 0.27 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.67 3kuk s ILE 138 Cb -0.15 -3.98 0.00 0.00 1.25 0.00 0.00 42.46 39.57 3kuk s ILE 138 CO 0.08 -0.86 0.00 0.61 0.24 0.00 0.00 174.94 175.02 3kuk n GLY 139 N 4.64 6.59 3.37 6.27 0.00 -0.98 -4.33 105.19 120.74 3kuk n GLY 139 Ca -0.03 -2.09 -0.19 0.00 0.00 0.00 0.00 46.02 43.71 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 0.33 1.25 0.32 2.61 -4.23 -1.26 -2.55 115.64 112.12 3kuk s THR 140 Ca 0.00 -2.06 -0.16 0.00 -1.18 0.00 0.00 61.69 58.30 3kuk s THR 140 Cb 0.00 -2.42 0.06 0.00 1.34 0.00 0.00 72.50 71.48 3kuk s THR 140 CO 0.00 -0.28 0.80 -1.54 -0.54 0.00 0.00 174.62 173.06 3kuk n SER 141 N -0.50 -2.04 -4.59 3.99 3.41 0.19 -4.79 113.62 109.29 3kuk n SER 141 Ca -0.05 -2.34 -0.34 0.00 -0.26 0.00 0.00 58.87 55.88 3kuk n SER 141 Cb 0.64 3.38 -0.11 0.00 -0.26 0.00 0.00 64.21 67.87 3kuk n SER 141 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3kuk s GLY 142 N -3.05 1.78 0.51 5.00 0.00 -0.44 -1.22 107.32 109.89 3kuk s GLY 142 Ca 0.17 -0.82 -0.03 0.00 0.00 0.00 0.00 44.72 44.03 3kuk s GLY 142 CO 0.10 -0.35 0.78 -0.32 0.00 0.00 0.00 173.10 173.31 3kuk s GLY 143 N -0.29 1.56 -0.23 0.20 0.00 -0.20 -0.19 107.32 108.16 3kuk s GLY 143 Ca 0.06 -0.80 0.01 0.00 0.00 0.00 0.00 44.72 43.98 3kuk s GLY 143 CO 0.02 -0.59 -0.06 -0.42 0.00 0.00 0.00 173.10 172.06 3kuk s ILE 144 N -2.75 1.49 -1.14 0.90 1.01 0.33 -1.02 121.20 120.02 3kuk s ILE 144 Ca 0.50 -1.15 -0.05 0.00 0.00 0.00 0.00 60.65 59.95 3kuk s ILE 144 Cb -0.10 -1.74 0.01 0.00 0.01 0.00 0.00 42.46 40.64 3kuk s ILE 144 CO 0.42 -0.06 0.99 0.61 0.00 0.00 0.00 174.94 176.89 3kuk n GLY 145 N 4.69 -0.32 3.03 6.18 0.00 -1.26 -4.81 105.19 112.70 3kuk n GLY 145 Ca -0.12 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -6.28 2.24 0.26 0.99 1.43 -1.26 -5.13 118.68 110.93 3kuk s LEU 146 Ca 0.36 -0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 52.65 3kuk s LEU 146 Cb -0.16 -0.09 -0.09 0.00 0.03 0.00 0.00 46.19 45.88 3kuk s LEU 146 CO 0.63 -0.22 1.25 -1.83 0.23 0.00 0.00 176.35 176.42 3kuk s GLU 147 N -1.47 4.44 0.18 1.70 -1.05 -1.26 -4.51 118.70 116.73 3kuk s GLU 147 Ca -0.11 2.04 -0.33 0.00 -0.15 0.00 0.00 54.97 56.42 3kuk s GLU 147 Cb -0.10 -3.15 -0.14 0.00 -0.44 0.00 0.00 34.13 30.30 3kuk s GLU 147 CO -0.00 -0.11 1.41 -2.30 0.95 0.00 0.00 175.26 175.20 3kuk n PRO 148 N 1.64 1.78 0.00 -4.83 -0.02 -1.26 -1.73 135.00 130.58 3kuk n PRO 148 Ca 0.02 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3kuk n PRO 148 Cb 0.43 -2.30 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 2.56 1.41 3.77 -1.23 0.00 -0.94 -5.00 105.19 105.76 3kuk n GLY 149 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.89 6.84 0.10 1.61 0.01 -0.70 -4.66 113.70 115.01 3kuk s SER 150 Ca 0.00 2.48 -0.05 0.00 1.31 0.00 0.00 55.95 59.69 3kuk s SER 150 Cb 0.00 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.54 3kuk s SER 150 CO 0.00 -0.46 0.33 -0.69 0.41 0.00 0.00 173.24 172.83 3kuk s VAL 151 N -1.22 5.22 -0.08 3.43 1.01 -0.80 -0.64 120.40 127.32 3kuk s VAL 151 Ca 0.50 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.55 3kuk s VAL 151 Cb -0.35 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.42 3kuk s VAL 151 CO 0.46 0.14 -0.20 -0.69 0.00 0.00 0.00 175.10 174.81 3kuk s VAL 152 N -1.54 1.69 -0.27 2.92 1.01 0.53 -1.91 120.40 122.83 3kuk s VAL 152 Ca 0.37 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 3kuk s VAL 152 Cb -0.13 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 3kuk s VAL 152 CO 0.23 0.48 0.19 -0.63 0.00 0.00 0.00 175.10 175.36 3kuk s ILE 153 N 0.35 5.32 -0.06 2.22 1.01 0.10 -2.32 121.20 127.82 3kuk s ILE 153 Ca -0.14 0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.38 3kuk s ILE 153 Cb -0.16 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 3kuk s ILE 153 CO 0.06 0.26 1.07 -0.89 0.00 0.00 0.00 174.94 175.44 3kuk s THR 154 N 1.66 4.61 -0.16 2.92 2.01 -0.57 -2.39 115.64 123.72 3kuk s THR 154 Ca 0.07 1.89 -0.20 0.00 0.31 0.00 0.00 61.69 63.76 3kuk s THR 154 Cb -0.16 -4.21 -0.23 0.00 0.01 0.00 0.00 72.50 67.91 3kuk s THR 154 CO 0.10 0.04 0.41 -0.09 -0.69 0.00 0.00 174.62 174.39 3kuk h ARG 155 N 7.11 0.10 -3.41 4.92 2.43 -1.54 -3.43 114.38 120.57 3kuk h ARG 155 Ca -0.34 -0.17 -0.39 0.00 -0.81 0.00 0.00 59.98 58.27 3kuk h ARG 155 Cb 1.17 0.06 -0.39 0.00 -0.42 0.00 0.00 29.97 30.39 3kuk h ARG 155 CO 0.84 1.08 -0.75 -1.14 -1.51 0.00 0.00 179.97 178.49 3kuk s GLN 156 N -2.39 0.12 0.22 0.20 0.74 -1.26 -2.04 119.66 115.24 3kuk s GLN 156 Ca -0.24 0.27 -0.30 0.00 0.05 0.00 0.00 55.36 55.14 3kuk s GLN 156 Cb 0.04 -0.72 -0.09 0.00 1.10 0.00 0.00 33.01 33.34 3kuk s GLN 156 CO 0.67 -0.34 1.19 0.00 -0.55 0.00 0.00 175.29 176.26 3kuk s ALA 157 N 2.11 3.44 0.06 1.58 0.00 -0.83 -1.38 121.76 126.75 3kuk s ALA 157 Ca 0.05 0.97 0.04 0.00 0.00 0.00 0.00 51.96 53.01 3kuk s ALA 157 Cb -0.12 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 3kuk s ALA 157 CO -0.04 -0.35 -0.11 0.54 0.00 0.00 0.00 175.76 175.80 3kuk s VAL 158 N -0.40 0.88 0.93 0.00 0.11 0.29 -4.40 120.40 117.81 3kuk s VAL 158 Ca 0.51 -1.27 -0.14 0.00 -2.93 0.00 0.00 61.98 58.14 3kuk s VAL 158 Cb -0.33 -0.95 0.19 0.00 -1.53 0.00 0.00 36.38 33.76 3kuk s VAL 158 CO 0.39 -0.33 1.28 1.51 -3.33 0.00 0.00 175.10 174.62 3kuk s ASP 159 N -1.79 3.25 0.00 3.54 3.84 0.23 0.15 116.67 125.89 3kuk s ASP 159 Ca -0.04 0.17 0.14 0.00 -0.00 0.00 0.00 52.55 52.82 3kuk s ASP 159 Cb -0.09 -0.24 0.85 0.00 -1.38 0.00 0.00 42.92 42.06 3kuk s ASP 159 CO 0.01 -2.64 1.31 -2.65 -0.00 0.00 0.00 175.17 171.21 3kuk n PRO 160 N -3.65 0.63 -0.15 2.11 -0.02 -1.26 -0.60 135.00 132.06 3kuk n PRO 160 Ca 0.15 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.68 3kuk n PRO 160 Cb 0.60 -1.36 0.13 0.00 -0.02 0.00 0.00 33.50 32.85 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 0.42 0.00 -3.04 0.00 0.99 0.23 -5.01 117.46 111.05 3kuk n PHE 162 Ca 0.10 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.16 3kuk n PHE 162 Cb 0.40 -1.08 -0.06 0.00 -1.00 0.00 0.00 39.48 37.74 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 -1.52 4.47 -1.54 -1.08 1.02 -1.26 -4.74 119.74 115.09 3kuk s LYS 163 Ca 0.00 1.02 -0.12 0.00 0.02 0.00 0.00 55.97 56.89 3kuk s LYS 163 Cb 0.00 -3.31 -0.02 0.00 -0.52 0.00 0.00 37.83 33.98 3kuk s LYS 163 CO 0.00 0.43 2.58 -0.35 -0.92 0.00 0.00 175.35 177.09 3kuk n PRO 164 N 2.26 3.25 -4.09 -1.68 -0.04 -1.26 -0.60 135.00 132.84 3kuk n PRO 164 Ca -0.05 -2.41 -0.13 0.00 -0.04 0.00 0.00 63.50 60.87 3kuk n PRO 164 Cb 0.50 -3.06 -0.11 0.00 -0.04 0.00 0.00 33.50 30.79 3kuk n PRO 164 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3kuk s GLU 165 N 2.71 0.60 -0.10 0.54 2.02 -1.26 -2.85 118.70 120.36 3kuk s GLU 165 Ca 0.58 -0.89 0.02 0.00 0.02 0.00 0.00 54.97 54.70 3kuk s GLU 165 Cb 0.16 -0.29 0.01 0.00 0.10 0.00 0.00 34.13 34.12 3kuk s GLU 165 CO -0.08 0.04 -0.15 0.12 0.02 0.00 0.00 175.26 175.21 3kuk s PHE 166 N -1.87 1.95 -0.16 1.61 2.19 -0.44 -4.25 117.98 117.01 3kuk s PHE 166 Ca -0.05 -0.90 -0.06 0.00 0.33 0.00 0.00 56.93 56.25 3kuk s PHE 166 Cb -0.07 -1.41 -0.04 0.00 -1.31 0.00 0.00 43.02 40.20 3kuk s PHE 166 CO -0.01 -0.46 0.04 -2.00 1.83 0.00 0.00 175.22 174.62 3kuk s GLU 167 N 0.93 3.75 -0.01 10.12 2.12 -1.26 -1.80 118.70 132.55 3kuk s GLU 167 Ca -0.08 -0.38 0.01 0.00 0.36 0.00 0.00 54.97 54.88 3kuk s GLU 167 Cb -0.15 -3.09 0.01 0.00 0.26 0.00 0.00 34.13 31.16 3kuk s GLU 167 CO -0.01 0.35 -0.02 -1.14 -0.54 0.00 0.00 175.26 173.91 3kuk s GLN 168 N 0.12 0.30 -0.39 4.30 0.74 -0.04 -4.98 119.66 119.71 3kuk s GLN 168 Ca 0.03 -0.04 -0.21 0.00 0.05 0.00 0.00 55.36 55.20 3kuk s GLN 168 Cb -0.13 -0.36 0.01 0.00 1.10 0.00 0.00 33.01 33.63 3kuk s GLN 168 CO 0.01 -0.01 0.64 0.42 -0.55 0.00 0.00 175.29 175.80 3kuk s ILE 169 N 0.38 4.86 -0.22 -2.34 1.01 -1.26 -0.73 121.20 122.89 3kuk s ILE 169 Ca -0.04 0.39 -0.04 0.00 0.00 0.00 0.00 60.65 60.96 3kuk s ILE 169 Cb -0.07 -4.13 -0.01 0.00 0.01 0.00 0.00 42.46 38.27 3kuk s ILE 169 CO -0.01 -0.43 -0.04 -0.69 0.00 0.00 0.00 174.94 173.77 3kuk s VAL 170 N 2.76 3.39 -1.30 2.92 1.01 0.14 -4.55 120.40 124.78 3kuk s VAL 170 Ca 0.24 -0.49 -0.08 0.00 0.00 0.00 0.00 61.98 61.64 3kuk s VAL 170 Cb -0.14 -2.54 0.06 0.00 0.00 0.00 0.00 36.38 33.76 3kuk s VAL 170 CO 0.17 0.42 0.48 0.18 0.00 0.00 0.00 175.10 176.35 3kuk n LEU 171 N 4.80 -1.64 0.00 3.92 4.77 -1.26 -1.14 117.00 126.45 3kuk n LEU 171 Ca -0.18 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 3kuk n LEU 171 Cb 0.51 -2.21 0.00 0.00 -2.33 0.00 0.00 43.42 39.39 3kuk n LEU 171 CO 0.29 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3kuk n GLY 172 N -1.19 2.40 3.87 -0.72 0.00 -1.26 -5.04 105.19 103.25 3kuk n GLY 172 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3kuk n GLY 172 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kuk s LYS 173 N -0.62 3.55 0.12 1.61 3.01 -0.29 -5.04 119.74 122.09 3kuk s LYS 173 Ca 0.00 -0.02 -0.30 0.00 -1.01 0.00 0.00 55.97 54.64 3kuk s LYS 173 Cb 0.00 -3.19 -0.06 0.00 -1.01 0.00 0.00 37.83 33.57 3kuk s LYS 173 CO 0.00 0.75 1.10 1.03 0.51 0.00 0.00 175.35 178.74 3kuk s ARG 174 N -1.12 4.56 0.05 1.68 0.52 -1.26 -0.68 118.95 122.69 3kuk s ARG 174 Ca 0.18 1.67 0.07 0.00 -0.52 0.00 0.00 55.73 57.13 3kuk s ARG 174 Cb -0.13 -3.33 -0.03 0.00 0.52 0.00 0.00 34.95 31.99 3kuk s ARG 174 CO 0.07 -0.01 -0.20 -1.21 0.02 0.00 0.00 175.30 173.97 3kuk s GLU 175 N 0.19 1.32 -0.02 3.54 2.02 0.09 -4.95 118.70 120.89 3kuk s GLU 175 Ca 0.52 -0.93 0.03 0.00 0.02 0.00 0.00 54.97 54.61 3kuk s GLU 175 Cb -0.28 -1.43 -0.00 0.00 0.10 0.00 0.00 34.13 32.52 3kuk s GLU 175 CO 0.32 0.36 -0.11 0.14 0.02 0.00 0.00 175.26 176.00 3kuk s VAL 176 N -0.82 0.91 0.19 2.63 -7.23 -1.26 -0.86 120.40 113.96 3kuk s VAL 176 Ca 0.07 -0.45 0.10 0.00 -1.81 0.00 0.00 61.98 59.89 3kuk s VAL 176 Cb -0.09 -0.79 -0.04 0.00 0.56 0.00 0.00 36.38 36.02 3kuk s VAL 176 CO 0.02 0.27 -0.21 -0.13 -0.31 0.00 0.00 175.10 174.74 3kuk s ARG 177 N 0.03 1.43 0.30 4.82 0.52 -0.75 -4.94 118.95 120.36 3kuk s ARG 177 Ca -0.01 -1.50 -0.27 0.00 -0.52 0.00 0.00 55.73 53.42 3kuk s ARG 177 Cb -0.08 -1.62 -0.09 0.00 0.52 0.00 0.00 34.95 33.68 3kuk s ARG 177 CO 0.00 0.34 0.97 1.21 0.02 0.00 0.00 175.30 177.84 3kuk s ASN 178 N -2.76 7.38 -0.47 0.23 2.47 -1.26 -1.33 114.94 119.21 3kuk s ASN 178 Ca 0.20 1.93 0.04 0.00 0.42 0.00 0.00 52.86 55.45 3kuk s ASN 178 Cb -0.07 -2.59 0.43 0.00 -1.45 0.00 0.00 41.25 37.57 3kuk s ASN 178 CO 0.09 -0.04 1.40 0.35 -3.72 0.00 0.00 177.10 175.18 3kuk n THR 179 N 0.87 2.78 -2.92 -5.21 -2.24 -1.13 -4.31 114.28 102.11 3kuk n THR 179 Ca 0.01 -4.28 -0.39 0.00 -2.27 0.00 0.00 64.05 57.12 3kuk n THR 179 Cb 0.48 -1.20 -0.06 0.00 -2.10 0.00 0.00 70.33 67.46 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 -3.00 7.40 -0.08 3.42 1.01 -1.26 -1.96 116.67 122.21 3kuk s ASP 180 Ca 0.52 1.71 -0.02 0.00 0.71 0.00 0.00 52.55 55.47 3kuk s ASP 180 Cb 0.43 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.80 3kuk s ASP 180 CO -0.10 0.15 0.03 -0.76 0.21 0.00 0.00 175.17 174.70 3kuk s LEU 181 N -1.34 3.71 -0.49 1.23 1.43 -0.87 -4.91 118.68 117.44 3kuk s LEU 181 Ca 0.39 0.18 -0.44 0.00 -1.03 0.00 0.00 54.13 53.24 3kuk s LEU 181 Cb -0.23 -1.89 -0.19 0.00 0.03 0.00 0.00 46.19 43.91 3kuk s LEU 181 CO 0.27 0.37 2.06 -0.67 0.23 0.00 0.00 176.35 178.61 3kuk n ASP 182 N 2.01 0.78 -0.33 2.29 -0.08 -1.26 -4.82 116.55 115.15 3kuk n ASP 182 Ca -0.18 0.72 0.01 0.00 -1.51 0.00 0.00 54.79 53.83 3kuk n ASP 182 Cb 0.54 -0.89 0.15 0.00 2.34 0.00 0.00 41.12 43.26 3kuk n ASP 182 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3kuk h GLU 183 N 8.50 1.00 -0.41 -0.67 4.39 -1.95 -2.90 114.58 122.54 3kuk h GLU 183 Ca -0.13 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.52 3kuk h GLU 183 Cb 1.40 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 29.80 3kuk h GLU 183 CO 1.06 0.66 0.27 0.37 -1.16 0.00 0.00 179.01 180.22 3kuk h GLN 184 N 1.03 0.53 -0.52 2.33 4.15 -2.00 -2.71 115.11 117.92 3kuk h GLN 184 Ca 0.39 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.72 3kuk h GLN 184 Cb 0.17 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 3kuk h GLN 184 CO -0.17 0.35 0.07 1.25 -1.93 0.00 0.00 178.83 178.40 3kuk h LEU 185 N 0.55 0.78 -1.06 -2.39 6.46 -1.90 -1.01 115.31 116.74 3kuk h LEU 185 Ca 0.15 -0.16 -0.08 0.00 -0.12 0.00 0.00 57.88 57.67 3kuk h LEU 185 Cb -0.05 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 39.66 3kuk h LEU 185 CO -0.04 0.80 -0.17 -0.37 -0.62 0.00 0.00 178.44 178.04 3kuk h VAL 186 N 0.79 1.24 -0.09 1.05 -1.51 -1.39 0.62 116.25 116.96 3kuk h VAL 186 Ca 0.16 -1.09 -0.20 0.00 -1.23 0.00 0.00 66.70 64.34 3kuk h VAL 186 Cb 0.37 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 3kuk h VAL 186 CO 0.01 0.35 -0.76 1.56 -1.23 0.00 0.00 177.57 177.50 3kuk h GLN 187 N 0.42 0.52 -0.25 5.19 1.08 -1.15 -1.24 115.11 119.68 3kuk h GLN 187 Ca 0.07 -0.44 -0.01 0.00 -1.45 0.00 0.00 58.65 56.82 3kuk h GLN 187 Cb 0.55 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.06 3kuk h GLN 187 CO 0.04 1.07 0.11 1.49 -0.95 0.00 0.00 178.83 180.58 3kuk h GLU 188 N 0.35 0.37 -0.33 1.46 4.81 -0.77 -2.39 114.58 118.09 3kuk h GLU 188 Ca -0.04 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.16 3kuk h GLU 188 Cb 1.36 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.64 3kuk h GLU 188 CO 0.14 0.40 0.13 -0.07 -0.73 0.00 0.00 179.01 178.88 3kuk h LEU 189 N 0.26 0.17 -0.89 1.64 4.07 -0.85 -1.88 115.31 117.83 3kuk h LEU 189 Ca 0.09 0.03 0.15 0.00 0.08 0.00 0.00 57.88 58.22 3kuk h LEU 189 Cb 0.16 0.00 -0.15 0.00 1.08 0.00 0.00 40.66 41.75 3kuk h LEU 189 CO -0.01 0.13 -0.34 0.00 -1.08 0.00 0.00 178.44 177.14 3kuk h ALA 190 N 1.19 0.22 -0.86 1.53 0.00 -1.03 -0.50 119.26 119.81 3kuk h ALA 190 Ca 0.14 0.27 0.01 0.00 0.00 0.00 0.00 54.91 55.34 3kuk h ALA 190 Cb 0.09 0.89 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 3kuk h ALA 190 CO -0.13 -0.58 0.57 0.00 0.00 0.00 0.00 179.25 179.11 3kuk h ARG 191 N -0.04 1.11 -0.72 0.00 3.08 -0.84 -2.92 114.38 114.06 3kuk h ARG 191 Ca 0.34 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.26 3kuk h ARG 191 Cb 0.60 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 3kuk h ARG 191 CO -0.91 0.74 0.18 0.00 -1.07 0.00 0.00 179.97 178.91 3kuk h SER 193 N 1.08 0.45 -0.20 0.00 0.87 -1.20 -2.84 113.55 111.72 3kuk h SER 193 Ca 0.23 -0.07 -0.14 0.00 -1.23 0.00 0.00 61.79 60.58 3kuk h SER 193 Cb 0.37 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 3kuk h SER 193 CO 0.00 0.48 -0.43 0.00 -0.53 0.00 0.00 176.83 176.35 3kuk h ALA 194 N 1.58 0.32 -0.75 6.23 0.00 -1.20 -1.49 119.26 123.95 3kuk h ALA 194 Ca 0.11 -0.47 0.22 0.00 0.00 0.00 0.00 54.91 54.77 3kuk h ALA 194 Cb 0.23 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3kuk h ALA 194 CO 0.00 0.44 0.60 0.93 0.00 0.00 0.00 179.25 181.23 3kuk h GLU 195 N 0.33 0.00 0.10 0.00 5.08 -1.10 -1.97 114.58 117.03 3kuk h GLU 195 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 3kuk h GLU 195 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 3kuk h GLU 195 CO 0.09 0.00 -0.98 -0.07 -1.00 0.00 0.00 179.01 177.05 3kuk h LEU 196 N 0.00 0.34 -1.02 1.33 3.38 -1.28 -3.49 115.31 114.57 3kuk h LEU 196 Ca 0.36 -0.88 -0.46 0.00 0.09 0.00 0.00 57.88 56.99 3kuk h LEU 196 Cb 1.56 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 42.21 3kuk h LEU 196 CO -0.00 1.44 -0.75 0.61 0.09 0.00 0.00 178.44 179.83 3kuk n GLY 197 N 1.67 -0.49 0.04 0.83 0.00 -0.61 -4.90 105.19 101.74 3kuk n GLY 197 Ca -0.19 0.20 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 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 -4.72 1.57 -3.54 1.61 1.02 -1.26 -5.07 120.64 110.25 3kuk n GLU 198 Ca 0.01 -0.04 -0.12 0.00 -0.02 0.00 0.00 57.16 56.99 3kuk n GLU 198 Cb 0.54 -1.29 -0.04 0.00 -0.02 0.00 0.00 31.44 30.64 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 -2.46 -0.40 0.41 -0.32 -0.71 -1.26 -5.15 117.98 108.09 3kuk s PHE 199 Ca -0.05 0.25 -0.25 0.00 -1.04 0.00 0.00 56.93 55.84 3kuk s PHE 199 Cb 0.05 0.39 -0.08 0.00 -1.21 0.00 0.00 43.02 42.17 3kuk s PHE 199 CO 0.47 -0.73 1.15 -2.14 -1.34 0.00 0.00 175.22 172.64 3kuk s PRO 200 N -3.30 4.00 -0.11 1.99 0.02 -1.26 -4.94 135.00 131.40 3kuk s PRO 200 Ca -0.01 1.79 -0.05 0.00 0.02 0.00 0.00 61.00 62.75 3kuk s PRO 200 Cb 0.00 -2.60 0.05 0.00 0.02 0.00 0.00 34.50 31.97 3kuk s PRO 200 CO -0.09 -0.35 0.23 0.99 -0.33 0.00 0.00 177.00 177.46 3kuk s THR 201 N -1.47 -0.26 0.23 0.99 2.01 -1.26 -1.91 115.64 113.98 3kuk s THR 201 Ca 0.58 0.25 0.09 0.00 0.31 0.00 0.00 61.69 62.93 3kuk s THR 201 Cb -0.29 -0.38 -0.05 0.00 0.01 0.00 0.00 72.50 71.79 3kuk s THR 201 CO 0.36 0.10 -0.17 0.68 -0.69 0.00 0.00 174.62 174.91 3kuk s VAL 202 N 1.99 2.03 -0.10 3.82 -7.23 -0.80 -5.00 120.40 115.11 3kuk s VAL 202 Ca -0.02 -2.28 -0.06 0.00 -1.81 0.00 0.00 61.98 57.82 3kuk s VAL 202 Cb -0.12 -2.14 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 3kuk s VAL 202 CO -0.08 -0.51 0.13 0.68 -0.31 0.00 0.00 175.10 175.01 3kuk s VAL 203 N -2.75 5.32 0.23 1.32 -7.23 -1.26 -0.72 120.40 115.31 3kuk s VAL 203 Ca 0.25 0.09 -0.17 0.00 -1.81 0.00 0.00 61.98 60.34 3kuk s VAL 203 Cb -0.03 -3.33 0.06 0.00 0.56 0.00 0.00 36.38 33.64 3kuk s VAL 203 CO 0.10 0.57 0.83 0.61 -0.31 0.00 0.00 175.10 176.90 3kuk n GLY 204 N 1.85 0.83 3.83 2.32 0.00 -1.01 -4.93 105.19 108.09 3kuk n GLY 204 Ca -0.18 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.34 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 -3.02 6.93 -0.13 1.61 0.01 -0.19 -1.26 114.94 118.89 3kuk s ASN 205 Ca 0.18 1.41 -0.01 0.00 -0.71 0.00 0.00 52.86 53.73 3kuk s ASN 205 Cb -0.03 -2.42 -0.02 0.00 0.41 0.00 0.00 41.25 39.19 3kuk s ASN 205 CO 0.07 -0.13 -0.11 -0.89 -1.51 0.00 0.00 177.10 174.53 3kuk s THR 206 N -1.82 3.21 -0.23 1.60 2.01 -0.48 -1.41 115.64 118.52 3kuk s THR 206 Ca 0.51 -0.61 -0.13 0.00 0.31 0.00 0.00 61.69 61.77 3kuk s THR 206 Cb -0.13 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.98 3kuk s THR 206 CO 0.19 0.52 0.28 -0.32 -0.69 0.00 0.00 174.62 174.60 3kuk s MET 207 N 0.33 4.09 -0.21 4.92 1.75 -0.86 0.10 119.30 129.42 3kuk s MET 207 Ca -0.09 -0.05 -0.05 0.00 -1.25 0.00 0.00 55.69 54.25 3kuk s MET 207 Cb -0.16 -3.57 -0.02 0.00 2.84 0.00 0.00 34.83 33.93 3kuk s MET 207 CO 0.05 -0.05 -0.01 0.00 -0.65 0.00 0.00 175.02 174.36 3kuk s THR 209 N 1.26 1.96 -1.61 0.00 -4.23 -0.25 -4.30 115.64 108.46 3kuk s THR 209 Ca 0.04 -1.88 0.14 0.00 -1.18 0.00 0.00 61.69 58.81 3kuk s THR 209 Cb -0.15 -2.84 0.07 0.00 1.34 0.00 0.00 72.50 70.93 3kuk s THR 209 CO 0.00 0.00 0.89 0.18 -0.54 0.00 0.00 174.62 175.15 3kuk n LEU 210 N -1.14 1.94 -3.85 4.79 4.77 -1.26 -4.51 117.00 117.75 3kuk n LEU 210 Ca -0.06 -0.91 -0.12 0.00 -0.03 0.00 0.00 56.01 54.89 3kuk n LEU 210 Cb 0.66 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.62 3kuk n LEU 210 CO 0.46 0.36 -0.25 -0.62 -1.33 0.00 0.00 177.39 176.01 3kuk s ASP 211 N -1.39 -0.07 0.15 -1.43 2.15 -1.26 -5.00 116.67 109.81 3kuk s ASP 211 Ca 0.15 0.13 0.19 0.00 0.43 0.00 0.00 52.55 53.45 3kuk s ASP 211 Cb 0.12 0.20 -0.05 0.00 -0.30 0.00 0.00 42.92 42.88 3kuk s ASP 211 CO 0.24 -0.08 0.98 0.15 -0.17 0.00 0.00 175.17 176.30 3kuk h PHE 212 N 5.78 0.00 0.00 -5.34 3.04 -1.92 -3.19 116.94 115.32 3kuk h PHE 212 Ca -0.26 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.69 3kuk h PHE 212 Cb 1.20 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.71 3kuk h PHE 212 CO 0.44 0.33 0.00 0.66 -2.02 0.00 0.00 178.31 177.72 3kuk n TYR 213 N -2.84 0.00 0.08 0.41 4.01 -1.26 -4.26 117.16 113.29 3kuk n TYR 213 Ca -0.05 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.69 3kuk n TYR 213 Cb 0.71 0.00 0.29 0.00 -0.31 0.00 0.00 39.34 40.03 3kuk n TYR 213 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3kuk h GLU 214 N 0.00 0.31 0.00 -0.72 5.08 -1.83 -0.15 114.58 117.27 3kuk h GLU 214 Ca 0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3kuk h GLU 214 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3kuk h GLU 214 CO 0.00 0.54 0.00 0.41 -1.00 0.00 0.00 179.01 178.96 3kuk n GLY 215 N -0.53 -0.84 0.84 -3.84 0.00 -1.22 -3.15 105.19 96.44 3kuk n GLY 215 Ca -0.01 0.19 0.04 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.21 0.51 -0.99 1.61 6.02 -0.96 -4.72 117.38 116.64 3kuk n GLN 216 Ca -0.01 -2.09 0.00 0.00 -0.01 0.00 0.00 57.00 54.89 3kuk n GLN 216 Cb 0.03 -0.68 0.00 0.00 1.02 0.00 0.00 30.24 30.61 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 -0.25 0.20 3.75 1.08 0.00 -1.18 -4.98 105.19 103.80 3kuk n GLY 217 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.22 3.06 0.00 1.61 0.52 -0.11 -4.77 118.95 118.04 3kuk s ARG 218 Ca 0.00 1.89 0.18 0.00 -0.52 0.00 0.00 55.73 57.28 3kuk s ARG 218 Cb 0.00 -2.02 0.23 0.00 0.52 0.00 0.00 34.95 33.69 3kuk s ARG 218 CO 0.00 -1.15 1.16 1.28 0.02 0.00 0.00 175.30 176.61 3kuk n LEU 219 N -1.41 2.78 -0.67 2.53 4.77 -1.26 -4.56 117.00 119.17 3kuk n LEU 219 Ca 0.13 -1.25 0.04 0.00 -0.03 0.00 0.00 56.01 54.90 3kuk n LEU 219 Cb 0.49 -0.09 0.20 0.00 -2.33 0.00 0.00 43.42 41.68 3kuk n LEU 219 CO 0.46 0.55 0.47 -0.90 -1.33 0.00 0.00 177.39 176.64 3kuk n ASP 220 N 1.07 2.01 -2.35 -1.43 5.75 -1.26 -4.97 116.55 115.37 3kuk n ASP 220 Ca 0.13 -3.76 0.00 0.00 -0.01 0.00 0.00 54.79 51.15 3kuk n ASP 220 Cb 0.48 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 3kuk n ASP 220 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kuk n GLY 221 N -1.14 -0.35 0.13 6.12 0.00 -1.26 -4.99 105.19 103.69 3kuk n GLY 221 Ca 0.22 -1.71 0.08 0.00 0.00 0.00 0.00 46.02 44.60 3kuk n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kuk h ALA 222 N -1.76 0.62 -4.08 4.61 0.00 -2.00 -3.46 119.26 113.20 3kuk h ALA 222 Ca 0.00 -0.23 -0.50 0.00 0.00 0.00 0.00 54.91 54.17 3kuk h ALA 222 Cb 0.00 0.06 -0.27 0.00 0.00 0.00 0.00 17.79 17.58 3kuk h ALA 222 CO 0.00 0.26 -0.82 -0.51 0.00 0.00 0.00 179.25 178.19 3kuk s LEU 223 N -5.66 2.09 -0.30 0.00 1.43 -1.26 -5.12 118.68 109.87 3kuk s LEU 223 Ca 0.00 -0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 3kuk s LEU 223 Cb 0.09 -0.77 0.18 0.00 0.03 0.00 0.00 46.19 45.71 3kuk s LEU 223 CO 0.78 0.14 1.06 0.00 0.23 0.00 0.00 176.35 178.55 3kuk n SER 225 N 5.31 4.04 -4.21 0.00 3.41 -1.26 -4.96 113.62 115.95 3kuk n SER 225 Ca 0.01 -3.34 -0.12 0.00 -0.26 0.00 0.00 58.87 55.15 3kuk n SER 225 Cb 0.56 -0.78 -0.10 0.00 -0.26 0.00 0.00 64.21 63.62 3kuk n SER 225 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3kuk s TYR 226 N -2.93 1.15 0.43 7.33 1.13 -1.26 -5.17 117.35 118.02 3kuk s TYR 226 Ca 0.52 -1.28 0.08 0.00 -1.41 0.00 0.00 57.07 54.98 3kuk s TYR 226 Cb 0.43 -0.61 0.01 0.00 -1.10 0.00 0.00 41.96 40.69 3kuk s TYR 226 CO 0.11 -0.52 0.55 0.95 -2.51 0.00 0.00 175.55 174.12 3kuk s THR 227 N -4.02 2.89 0.18 -3.49 -4.23 -1.26 -4.99 115.64 100.72 3kuk s THR 227 Ca 0.34 -1.06 -0.13 0.00 -1.18 0.00 0.00 61.69 59.65 3kuk s THR 227 Cb 0.07 -2.95 0.08 0.00 1.34 0.00 0.00 72.50 71.04 3kuk s THR 227 CO 0.09 0.00 1.83 -0.08 -0.54 0.00 0.00 174.62 175.92 3kuk h GLU 228 N 0.69 0.68 -0.98 3.99 4.57 -1.99 -1.47 114.58 120.06 3kuk h GLU 228 Ca -0.40 -0.04 0.12 0.00 -1.18 0.00 0.00 59.36 57.87 3kuk h GLU 228 Cb 1.28 -0.15 -0.08 0.00 -0.16 0.00 0.00 28.75 29.63 3kuk h GLU 228 CO 0.47 0.45 0.62 -0.22 -1.18 0.00 0.00 179.01 179.15 3kuk h LYS 229 N 0.70 0.90 -0.52 1.92 3.64 -2.00 -0.84 116.57 120.38 3kuk h LYS 229 Ca 0.22 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.42 3kuk h LYS 229 Cb -0.02 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.58 3kuk h LYS 229 CO -0.08 0.60 -0.16 -0.44 -2.27 0.00 0.00 179.45 177.10 3kuk h ASP 230 N 0.93 1.03 -0.74 4.20 3.32 -1.79 -2.51 116.42 120.86 3kuk h ASP 230 Ca 0.49 -0.36 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 3kuk h ASP 230 Cb 0.54 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 3kuk h ASP 230 CO -0.25 1.16 0.29 0.50 -1.72 0.00 0.00 179.24 179.22 3kuk h LYS 231 N 0.89 1.12 0.15 3.56 3.64 -0.50 -2.71 116.57 122.71 3kuk h LYS 231 Ca 0.13 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3kuk h LYS 231 Cb 0.73 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3kuk h LYS 231 CO 0.06 0.91 -0.07 1.96 -2.27 0.00 0.00 179.45 180.04 3kuk h GLN 232 N 1.09 -0.20 -0.57 1.90 1.08 -1.11 -1.35 115.11 115.95 3kuk h GLN 232 Ca 0.25 0.01 0.11 0.00 -1.45 0.00 0.00 58.65 57.58 3kuk h GLN 232 Cb 0.22 0.04 -0.11 0.00 -0.05 0.00 0.00 27.48 27.58 3kuk h GLN 232 CO -0.02 0.17 -0.17 -0.44 -0.95 0.00 0.00 178.83 177.42 3kuk h ASP 233 N -0.61 -0.62 -0.20 1.46 3.32 -1.45 0.49 116.42 118.82 3kuk h ASP 233 Ca -0.02 0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 3kuk h ASP 233 Cb 0.46 0.39 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 3kuk h ASP 233 CO 0.03 -0.21 0.08 0.22 -1.72 0.00 0.00 179.24 177.64 3kuk h TYR 234 N -0.03 0.31 -0.03 4.55 3.20 -1.44 -1.73 116.97 121.81 3kuk h TYR 234 Ca 0.27 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.05 3kuk h TYR 234 Cb 0.45 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 3kuk h TYR 234 CO -0.50 0.37 -0.29 -0.07 -1.64 0.00 0.00 178.16 176.03 3kuk h LEU 235 N 0.17 0.05 0.14 2.82 3.38 -0.58 -2.02 115.31 119.27 3kuk h LEU 235 Ca 0.07 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 3kuk h LEU 235 Cb 0.19 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 40.95 3kuk h LEU 235 CO -0.00 0.34 -0.83 0.03 0.09 0.00 0.00 178.44 178.06 3kuk h ARG 236 N 0.04 0.30 -1.02 1.13 3.08 -0.81 -2.58 114.38 114.52 3kuk h ARG 236 Ca 0.01 -0.52 0.25 0.00 0.07 0.00 0.00 59.98 59.79 3kuk h ARG 236 Cb 0.53 0.19 -0.11 0.00 0.08 0.00 0.00 29.97 30.66 3kuk h ARG 236 CO 0.04 1.25 0.63 0.00 -1.07 0.00 0.00 179.97 180.82 3kuk h ALA 237 N 0.08 1.99 -0.19 0.04 0.00 -1.22 0.36 119.26 120.32 3kuk h ALA 237 Ca -0.15 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3kuk h ALA 237 Cb 1.65 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 3kuk h ALA 237 CO 0.15 -0.43 -0.05 0.00 0.00 0.00 0.00 179.25 178.91 3kuk h ALA 238 N 1.68 0.26 -0.94 0.00 0.00 -1.31 -2.81 119.26 116.14 3kuk h ALA 238 Ca 0.62 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 55.35 3kuk h ALA 238 Cb 1.35 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 19.01 3kuk h ALA 238 CO -0.39 0.04 0.59 -0.92 0.00 0.00 0.00 179.25 178.57 3kuk h TYR 239 N 0.08 1.09 0.00 0.00 3.20 -0.78 -0.70 116.97 119.85 3kuk h TYR 239 Ca 0.05 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 3kuk h TYR 239 Cb 0.51 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 38.42 3kuk h TYR 239 CO 0.05 0.52 -0.09 0.00 -1.64 0.00 0.00 178.16 177.01 3kuk h ALA 240 N 1.46 1.36 -0.35 1.82 0.00 -0.83 -1.11 119.26 121.59 3kuk h ALA 240 Ca 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3kuk h ALA 240 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3kuk h ALA 240 CO -0.20 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.16 3kuk n ALA 241 N -2.30 2.57 -0.50 0.00 0.00 -0.33 -4.86 120.51 115.10 3kuk n ALA 241 Ca -0.02 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.72 3kuk n ALA 241 Cb 0.20 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 0.95 0.75 3.70 0.00 0.00 -0.42 -4.95 105.19 105.22 3kuk n GLY 242 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.14 4.98 -0.01 -0.61 1.01 -0.81 -1.02 121.20 122.59 3kuk s ILE 243 Ca 0.00 1.60 0.02 0.00 0.00 0.00 0.00 60.65 62.27 3kuk s ILE 243 Cb 0.00 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 3kuk s ILE 243 CO 0.00 0.18 0.03 0.54 0.00 0.00 0.00 174.94 175.69 3kuk n ARG 244 N 4.16 2.13 -4.26 2.79 5.12 -0.50 -3.86 116.66 122.23 3kuk n ARG 244 Ca 0.01 -0.01 -0.19 0.00 -1.93 0.00 0.00 57.85 55.74 3kuk n ARG 244 Cb 0.51 -1.06 -0.08 0.00 -1.16 0.00 0.00 32.46 30.67 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 -2.85 1.59 -0.11 0.55 4.22 -1.23 -0.51 114.94 116.59 3kuk s ASN 245 Ca -0.01 -1.73 -0.04 0.00 -2.14 0.00 0.00 52.86 48.93 3kuk s ASN 245 Cb 0.01 0.56 0.06 0.00 1.28 0.00 0.00 41.25 43.16 3kuk s ASN 245 CO 0.09 -1.08 0.23 -0.63 -2.04 0.00 0.00 177.10 173.68 3kuk s ILE 246 N -3.42 -0.33 0.00 0.54 1.01 0.73 -2.02 121.20 117.71 3kuk s ILE 246 Ca 0.40 0.28 0.00 0.00 0.00 0.00 0.00 60.65 61.33 3kuk s ILE 246 Cb 0.02 -0.40 0.00 0.00 0.01 0.00 0.00 42.46 42.09 3kuk s ILE 246 CO 0.27 0.12 0.00 -1.84 0.00 0.00 0.00 174.94 173.49 3kuk n GLU 247 N 5.20 0.00 -0.31 2.79 -0.00 -0.83 -1.33 120.64 126.16 3kuk n GLU 247 Ca -0.08 0.00 0.01 0.00 -0.00 0.00 0.00 57.16 57.09 3kuk n GLU 247 Cb 0.50 0.00 0.02 0.00 -0.00 0.00 0.00 31.44 31.96 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 0.27 0.00 3.44 2.81 -1.26 -1.10 117.12 121.28 3kuk n MET 248 Ca 0.00 -1.08 0.00 0.00 -1.81 0.00 0.00 57.70 54.81 3kuk n MET 248 Cb 0.00 -0.63 0.00 0.00 -0.71 0.00 0.00 33.22 31.88 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 -0.18 4.01 -0.31 0.03 4.71 -1.26 -2.45 120.64 125.19 3kuk n GLU 249 Ca 0.02 0.00 0.08 0.00 -0.01 0.00 0.00 57.16 57.25 3kuk n GLU 249 Cb 0.63 -0.42 0.30 0.00 -1.01 0.00 0.00 31.44 30.94 3kuk n GLU 249 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3kuk h ALA 250 N 0.00 1.64 0.63 0.62 0.00 -1.95 -2.96 119.26 117.24 3kuk h ALA 250 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3kuk h ALA 250 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3kuk h ALA 250 CO 0.00 0.14 -0.43 0.77 0.00 0.00 0.00 179.25 179.73 3kuk h SER 251 N 0.88 -1.11 -0.46 0.00 0.02 -1.91 -1.12 113.55 109.85 3kuk h SER 251 Ca 0.45 0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.49 3kuk h SER 251 Cb 0.50 0.34 -0.03 0.00 0.14 0.00 0.00 62.40 63.35 3kuk h SER 251 CO -0.21 -0.64 0.28 -0.37 -1.14 0.00 0.00 176.83 174.75 3kuk h VAL 252 N -1.01 1.06 -0.19 2.27 -1.51 -1.92 0.33 116.25 115.28 3kuk h VAL 252 Ca -0.08 -0.19 0.05 0.00 -1.23 0.00 0.00 66.70 65.25 3kuk h VAL 252 Cb 0.82 0.45 -0.07 0.00 -2.13 0.00 0.00 31.29 30.36 3kuk h VAL 252 CO 0.06 0.10 -0.32 0.15 -1.23 0.00 0.00 177.57 176.33 3kuk h PHE 253 N 0.56 -0.88 -0.12 5.19 3.57 -1.47 0.62 116.94 124.41 3kuk h PHE 253 Ca 0.18 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.77 3kuk h PHE 253 Cb 0.01 0.42 -0.05 0.00 2.79 0.00 0.00 35.95 39.11 3kuk h PHE 253 CO -0.07 -0.39 -0.17 0.00 -2.23 0.00 0.00 178.31 175.45 3kuk h ALA 254 N 0.50 -0.11 -0.50 2.41 0.00 -1.00 -2.26 119.26 118.30 3kuk h ALA 254 Ca 0.11 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3kuk h ALA 254 Cb 0.54 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3kuk h ALA 254 CO -0.39 -0.62 0.22 0.00 0.00 0.00 0.00 179.25 178.45 3kuk h ALA 255 N 0.81 0.65 -0.08 0.00 0.00 0.38 -1.47 119.26 119.55 3kuk h ALA 255 Ca 0.09 -0.14 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 3kuk h ALA 255 Cb 0.35 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.96 3kuk h ALA 255 CO -0.24 0.24 -0.79 0.52 0.00 0.00 0.00 179.25 178.97 3kuk h MET 256 N 0.67 0.68 -0.53 0.00 2.07 0.20 -0.90 114.93 117.13 3kuk h MET 256 Ca 0.17 -0.63 -0.03 0.00 -2.07 0.00 0.00 59.70 57.15 3kuk h MET 256 Cb 0.16 0.15 -0.02 0.00 -1.87 0.00 0.00 31.60 30.02 3kuk h MET 256 CO -0.02 1.23 0.22 0.00 1.07 0.00 0.00 176.91 179.41 3kuk h ASN 258 N 0.72 0.91 0.09 0.00 4.21 -1.23 0.12 115.58 120.40 3kuk h ASN 258 Ca 0.18 -0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.67 3kuk h ASN 258 Cb 0.19 -0.21 -0.00 0.00 -1.12 0.00 0.00 38.32 37.17 3kuk h ASN 258 CO -0.02 0.64 -0.04 0.00 -1.29 0.00 0.00 177.43 176.72 3kuk h ALA 259 N 1.33 1.52 -0.01 -0.83 0.00 -0.69 -2.61 119.26 117.98 3kuk h ALA 259 Ca 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3kuk h ALA 259 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3kuk h ALA 259 CO -0.09 0.05 -0.05 0.00 0.00 0.00 0.00 179.25 179.15 3kuk n GLY 261 N 0.62 -0.08 3.72 0.00 0.00 0.08 -4.66 105.19 104.88 3kuk n GLY 261 Ca 0.05 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 -5.10 3.84 -0.21 0.99 1.43 0.20 -5.01 118.68 114.83 3kuk s LEU 262 Ca 0.21 0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 53.23 3kuk s LEU 262 Cb -0.09 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 3kuk s LEU 262 CO 0.49 0.34 1.45 -0.13 0.23 0.00 0.00 176.35 178.73 3kuk s ARG 263 N -0.64 3.98 0.05 1.70 1.81 -1.26 -4.47 118.95 120.12 3kuk s ARG 263 Ca 0.11 1.62 0.01 0.00 -1.72 0.00 0.00 55.73 55.75 3kuk s ARG 263 Cb -0.12 -3.92 -0.03 0.00 -0.45 0.00 0.00 34.95 30.43 3kuk s ARG 263 CO 0.02 -1.05 -0.05 0.00 -0.68 0.00 0.00 175.30 173.54 3kuk s ALA 264 N 4.41 0.55 0.08 2.13 0.00 -1.26 -1.07 121.76 126.60 3kuk s ALA 264 Ca 0.64 -0.96 -0.07 0.00 0.00 0.00 0.00 51.96 51.57 3kuk s ALA 264 Cb -0.23 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 3kuk s ALA 264 CO 0.24 -0.18 0.14 0.00 0.00 0.00 0.00 175.76 175.96 3kuk s ALA 265 N -2.49 -0.06 -0.09 0.00 0.00 -0.22 -4.04 121.76 114.86 3kuk s ALA 265 Ca -0.03 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.21 3kuk s ALA 265 Cb -0.02 0.42 0.02 0.00 0.00 0.00 0.00 23.12 23.53 3kuk s ALA 265 CO -0.03 -0.46 -0.09 0.08 0.00 0.00 0.00 175.76 175.25 3kuk s VAL 266 N -3.76 1.02 -0.30 0.00 1.01 -1.26 -1.50 120.40 115.61 3kuk s VAL 266 Ca 0.04 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.69 3kuk s VAL 266 Cb 0.05 -1.00 0.09 0.00 0.00 0.00 0.00 36.38 35.53 3kuk s VAL 266 CO -0.10 0.35 0.06 -0.69 0.00 0.00 0.00 175.10 174.72 3kuk s VAL 267 N 1.24 1.32 0.03 2.92 1.01 -0.29 -1.51 120.40 125.11 3kuk s VAL 267 Ca -0.04 -1.58 0.08 0.00 0.00 0.00 0.00 61.98 60.44 3kuk s VAL 267 Cb -0.14 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 3kuk s VAL 267 CO -0.03 -0.55 -0.21 0.00 0.00 0.00 0.00 175.10 174.30 3kuk s VAL 269 N -0.84 4.80 0.08 0.00 0.11 -1.06 -0.34 120.40 123.15 3kuk s VAL 269 Ca 0.13 0.96 -0.18 0.00 -2.93 0.00 0.00 61.98 59.96 3kuk s VAL 269 Cb -0.10 -3.78 -0.07 0.00 -1.53 0.00 0.00 36.38 30.90 3kuk s VAL 269 CO 0.03 0.29 0.54 0.42 -3.33 0.00 0.00 175.10 173.05 3kuk s THR 270 N -1.42 4.80 -1.87 5.04 -4.23 0.19 -0.64 115.64 117.52 3kuk s THR 270 Ca 0.37 1.09 0.22 0.00 -1.18 0.00 0.00 61.69 62.19 3kuk s THR 270 Cb -0.16 -3.84 -0.04 0.00 1.34 0.00 0.00 72.50 69.80 3kuk s THR 270 CO 0.19 0.50 1.05 0.18 -0.54 0.00 0.00 174.62 176.00 3kuk n LEU 271 N 1.55 1.88 -3.58 4.79 4.77 -0.36 -2.22 117.00 123.84 3kuk n LEU 271 Ca -0.10 -0.73 -0.06 0.00 -0.03 0.00 0.00 56.01 55.09 3kuk n LEU 271 Cb 0.51 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 3kuk n LEU 271 CO 0.41 0.36 0.92 -1.48 -1.33 0.00 0.00 177.39 176.27 3kuk s LEU 272 N -2.51 -0.21 -0.33 2.23 2.34 -1.26 -4.86 118.68 114.08 3kuk s LEU 272 Ca 0.17 0.08 -0.15 0.00 0.06 0.00 0.00 54.13 54.29 3kuk s LEU 272 Cb 0.17 1.55 -0.02 0.00 -0.56 0.00 0.00 46.19 47.34 3kuk s LEU 272 CO 0.60 -0.30 0.35 0.21 -1.06 0.00 0.00 176.35 176.15 3kuk s ASN 273 N -1.88 6.18 0.53 1.48 2.47 -1.26 -1.04 114.94 121.42 3kuk s ASN 273 Ca 0.06 -0.14 0.32 0.00 0.42 0.00 0.00 52.86 53.52 3kuk s ASN 273 Cb -0.01 -2.19 1.32 0.00 -1.45 0.00 0.00 41.25 38.92 3kuk s ASN 273 CO -0.05 -0.30 1.97 0.03 -3.72 0.00 0.00 177.10 175.04 3kuk h ARG 274 N 8.42 0.00 0.00 0.43 2.47 -1.28 -1.66 114.38 122.76 3kuk h ARG 274 Ca -0.30 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.42 3kuk h ARG 274 Cb 1.15 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 3kuk h ARG 274 CO 0.68 0.05 0.00 1.28 0.56 0.00 0.00 179.97 182.54 3kuk n LEU 275 N -3.18 0.00 0.00 3.04 4.77 -1.26 -3.21 117.00 117.16 3kuk n LEU 275 Ca 0.00 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 3kuk n LEU 275 Cb 0.32 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3kuk n LEU 275 CO 0.28 -0.04 -0.15 -0.62 -1.33 0.00 0.00 177.39 175.54 3kuk n GLU 276 N -1.17 4.42 -3.86 3.23 -0.58 -0.64 -5.10 120.64 116.95 3kuk n GLU 276 Ca 0.14 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.85 3kuk n GLU 276 Cb 0.15 -0.61 0.01 0.00 -0.57 0.00 0.00 31.44 30.42 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 -1.19 0.04 0.00 0.62 0.00 -1.10 -5.04 107.32 100.65 3kuk s GLY 277 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.49 3kuk s GLY 277 CO 0.00 2.04 0.00 1.22 0.00 0.00 0.00 173.10 176.36 3kuk n ASP 278 N -1.08 3.04 -4.88 1.64 8.00 -1.26 -4.37 116.55 117.64 3kuk n ASP 278 Ca -0.03 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.15 3kuk n ASP 278 Cb 0.60 0.24 -0.05 0.00 -0.02 0.00 0.00 41.12 41.88 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 -1.64 3.77 -1.01 -1.24 -0.21 -1.26 -5.02 119.66 113.06 3kuk s GLN 279 Ca 0.00 0.21 -0.10 0.00 0.02 0.00 0.00 55.36 55.49 3kuk s GLN 279 Cb 0.00 -2.70 0.26 0.00 1.00 0.00 0.00 33.01 31.56 3kuk s GLN 279 CO 0.00 0.36 0.98 0.42 -2.12 0.00 0.00 175.29 174.92 3kuk s ILE 280 N -1.76 5.77 -0.26 1.08 1.01 -1.26 -4.86 121.20 120.92 3kuk s ILE 280 Ca 0.45 -3.14 0.16 0.00 0.00 0.00 0.00 60.65 58.12 3kuk s ILE 280 Cb -0.12 -4.50 0.56 0.00 0.01 0.00 0.00 42.46 38.41 3kuk s ILE 280 CO 0.22 -1.13 1.46 -1.54 0.00 0.00 0.00 174.94 173.95 3kuk n SER 281 N 3.10 4.11 -4.77 3.58 3.41 -1.26 -5.00 113.62 116.79 3kuk n SER 281 Ca 0.20 -2.93 -0.36 0.00 -0.26 0.00 0.00 58.87 55.52 3kuk n SER 281 Cb 0.42 -0.55 0.01 0.00 -0.26 0.00 0.00 64.21 63.83 3kuk n SER 281 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3kuk s SER 282 N -1.69 5.75 0.55 4.04 0.01 -1.26 -4.97 113.70 116.13 3kuk s SER 282 Ca 0.43 2.32 -0.18 0.00 1.31 0.00 0.00 55.95 59.83 3kuk s SER 282 Cb 0.34 -2.60 -0.09 0.00 0.21 0.00 0.00 66.02 63.88 3kuk s SER 282 CO 0.11 -1.21 0.50 -2.65 0.41 0.00 0.00 173.24 170.39 3kuk n PRO 283 N -1.02 0.50 -0.05 12.44 -0.02 -1.26 -4.79 135.00 140.80 3kuk n PRO 283 Ca 0.10 0.19 -0.01 0.00 -2.02 0.00 0.00 63.50 61.77 3kuk n PRO 283 Cb 0.49 -1.65 0.26 0.00 -0.02 0.00 0.00 33.50 32.57 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 0.29 0.66 -0.61 6.00 -0.00 -1.99 -2.50 115.15 117.01 3kuk h HIS 284 Ca -0.45 -0.06 -0.03 0.00 -0.00 0.00 0.00 60.37 59.83 3kuk h HIS 284 Cb 1.40 -0.19 -0.03 0.00 -0.00 0.00 0.00 27.41 28.59 3kuk h HIS 284 CO 0.31 0.60 0.25 -0.44 -0.00 0.00 0.00 177.93 178.65 3kuk h ASP 285 N 0.61 0.80 -0.36 3.26 3.32 -2.00 -1.96 116.42 120.09 3kuk h ASP 285 Ca 0.13 -0.10 -0.15 0.00 0.02 0.00 0.00 57.03 56.93 3kuk h ASP 285 Cb 0.32 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3kuk h ASP 285 CO 0.01 0.71 -0.35 0.58 -1.72 0.00 0.00 179.24 178.47 3kuk h VAL 286 N 0.87 1.28 -0.01 -1.35 2.07 -1.82 -3.08 116.25 114.21 3kuk h VAL 286 Ca 0.21 -1.52 -0.09 0.00 0.82 0.00 0.00 66.70 66.12 3kuk h VAL 286 Cb 0.16 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3kuk h VAL 286 CO -0.02 0.50 -0.40 -0.07 0.02 0.00 0.00 177.57 177.60 3kuk h LEU 287 N 0.67 0.02 -0.50 2.57 3.38 -1.03 -1.07 115.31 119.35 3kuk h LEU 287 Ca 0.06 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3kuk h LEU 287 Cb 0.94 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3kuk h LEU 287 CO 0.09 0.41 -0.27 0.00 0.09 0.00 0.00 178.44 178.76 3kuk h ALA 288 N 1.59 0.89 -0.02 1.53 0.00 -1.41 -2.63 119.26 119.20 3kuk h ALA 288 Ca -0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 3kuk h ALA 288 Cb 0.71 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3kuk h ALA 288 CO 0.05 0.34 -0.21 1.49 0.00 0.00 0.00 179.25 180.92 3kuk h GLU 289 N 0.00 0.18 -0.93 0.00 4.22 -1.32 -3.19 114.58 113.55 3kuk h GLU 289 Ca -0.00 -0.17 0.24 0.00 0.08 0.00 0.00 59.36 59.51 3kuk h GLU 289 Cb 1.02 0.04 -0.13 0.00 0.50 0.00 0.00 28.75 30.18 3kuk h GLU 289 CO 0.04 0.86 0.44 1.88 -2.18 0.00 0.00 179.01 180.04 3kuk h TYR 290 N -0.43 0.73 0.00 0.92 0.99 -1.20 -1.71 116.97 116.27 3kuk h TYR 290 Ca -0.02 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.75 3kuk h TYR 290 Cb 0.91 -0.18 0.00 0.00 1.00 0.00 0.00 36.73 38.47 3kuk h TYR 290 CO 0.16 -0.06 -0.08 1.04 -0.00 0.00 0.00 178.16 179.22 3kuk n GLN 291 N -5.03 0.04 0.13 4.88 6.02 -1.00 -2.61 117.38 119.81 3kuk n GLN 291 Ca 0.24 0.03 0.06 0.00 -0.01 0.00 0.00 57.00 57.32 3kuk n GLN 291 Cb 0.72 -1.54 0.03 0.00 1.02 0.00 0.00 30.24 30.47 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 -0.26 -1.09 4.20 -1.29 -3.38 115.11 113.29 3kuk h GLN 292 Ca 0.00 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 3kuk h GLN 292 Cb 0.53 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.25 3kuk h GLN 292 CO 0.00 0.24 -0.15 0.00 -0.67 0.00 0.00 178.83 178.25 3kuk h ARG 293 N 0.00 -0.12 -0.46 1.46 3.08 -1.46 0.25 114.38 117.13 3kuk h ARG 293 Ca -0.04 0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 3kuk h ARG 293 Cb 1.26 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.32 3kuk h ARG 293 CO 0.03 -0.08 0.02 -1.35 -1.07 0.00 0.00 179.97 177.52 3kuk h PRO 294 N -0.12 0.75 -0.67 0.04 0.11 -1.76 0.20 132.00 130.55 3kuk h PRO 294 Ca 0.14 -0.19 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 3kuk h PRO 294 Cb 0.33 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.32 3kuk h PRO 294 CO -0.33 0.75 0.40 1.96 -0.21 0.00 0.00 178.00 180.57 3kuk h GLN 295 N 0.71 0.91 -0.12 1.05 4.20 -1.49 -1.02 115.11 119.34 3kuk h GLN 295 Ca 0.14 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 3kuk h GLN 295 Cb 0.41 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 3kuk h GLN 295 CO 0.02 0.65 0.05 0.00 -0.67 0.00 0.00 178.83 178.88 3kuk h ARG 296 N 0.91 0.18 -0.20 1.46 3.08 -0.11 0.15 114.38 119.84 3kuk h ARG 296 Ca 0.24 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.29 3kuk h ARG 296 Cb -0.02 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 3kuk h ARG 296 CO -0.04 0.26 0.01 1.25 -1.07 0.00 0.00 179.97 180.38 3kuk h LEU 297 N 0.05 -0.06 -1.16 3.04 5.85 -0.77 0.14 115.31 122.41 3kuk h LEU 297 Ca 0.04 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 3kuk h LEU 297 Cb 0.15 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3kuk h LEU 297 CO -0.00 -0.00 -0.25 0.58 -0.34 0.00 0.00 178.44 178.42 3kuk h VAL 298 N 0.08 1.24 -0.38 1.05 2.07 -1.11 -1.76 116.25 117.43 3kuk h VAL 298 Ca 0.09 -1.14 0.06 0.00 0.82 0.00 0.00 66.70 66.54 3kuk h VAL 298 Cb 0.11 1.42 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 3kuk h VAL 298 CO -0.15 0.35 0.05 1.23 0.02 0.00 0.00 177.57 179.07 3kuk h GLY 299 N 0.98 0.43 1.41 2.17 0.00 0.29 -1.34 103.07 107.00 3kuk h GLY 299 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.38 3kuk h GLY 299 CO 0.04 -0.06 0.39 -1.61 0.00 0.00 0.00 176.54 175.31 3kuk h GLN 300 N 0.16 0.76 -0.35 4.80 5.75 -0.17 -2.41 115.11 123.66 3kuk h GLN 300 Ca 0.19 -0.05 -0.16 0.00 -0.15 0.00 0.00 58.65 58.48 3kuk h GLN 300 Cb 0.24 -0.17 -0.00 0.00 1.07 0.00 0.00 27.48 28.61 3kuk h GLN 300 CO -0.27 0.51 -0.41 0.35 -2.65 0.00 0.00 178.83 176.36 3kuk h PHE 301 N 0.79 1.09 -0.13 3.99 3.04 -0.63 -2.06 116.94 123.03 3kuk h PHE 301 Ca 0.22 -0.34 -0.07 0.00 3.98 0.00 0.00 57.97 61.76 3kuk h PHE 301 Cb -0.07 -0.22 -0.00 0.00 2.56 0.00 0.00 35.95 38.21 3kuk h PHE 301 CO -0.00 1.16 -0.20 0.82 -2.02 0.00 0.00 178.31 178.08 3kuk h ILE 302 N 0.70 1.37 -0.12 1.41 2.04 -1.10 -2.08 117.51 119.72 3kuk h ILE 302 Ca 0.05 -1.43 0.02 0.00 1.00 0.00 0.00 64.86 64.51 3kuk h ILE 302 Cb 1.01 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 39.05 3kuk h ILE 302 CO 0.10 0.42 -0.03 0.50 0.00 0.00 0.00 178.15 179.14 3kuk h LYS 303 N -0.03 0.00 -0.53 2.37 3.64 -1.47 -0.41 116.57 120.13 3kuk h LYS 303 Ca 0.01 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.48 3kuk h LYS 303 Cb 0.76 -0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.51 3kuk h LYS 303 CO 0.05 0.00 0.14 -0.22 -2.27 0.00 0.00 179.45 177.15 3kuk h LYS 304 N 0.00 0.28 -0.05 1.90 3.64 -1.41 -2.55 116.57 118.39 3kuk h LYS 304 Ca 0.06 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 3kuk h LYS 304 Cb 0.08 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3kuk h LYS 304 CO -0.12 0.19 -0.27 0.00 -2.27 0.00 0.00 179.45 176.97 3kuk h ARG 305 N 0.29 0.08 -1.02 1.90 2.47 -0.62 -2.70 114.38 114.78 3kuk h ARG 305 Ca 0.27 -0.02 -0.26 0.00 -1.26 0.00 0.00 59.98 58.70 3kuk h ARG 305 Cb 0.35 -0.01 -0.15 0.00 -1.65 0.00 0.00 29.97 28.50 3kuk h ARG 305 CO -0.32 0.35 0.33 1.28 0.56 0.00 0.00 179.97 182.18 3kuk n LEU 306 N -4.19 4.91 -0.72 3.04 4.77 -0.24 -3.74 117.00 120.84 3kuk n LEU 306 Ca -0.02 -2.57 0.05 0.00 -0.03 0.00 0.00 56.01 53.45 3kuk n LEU 306 Cb 0.34 -0.68 0.12 0.00 -2.33 0.00 0.00 43.42 40.87 3kuk n LEU 306 CO 0.38 0.79 0.31 0.23 -1.33 0.00 0.00 177.39 177.77 3kuk n MET 307 N -0.29 0.88 0.00 3.23 2.81 -1.02 -5.03 117.12 117.69 3kuk n MET 307 Ca 0.30 -2.48 0.00 0.00 -1.81 0.00 0.00 57.70 53.70 3kuk n MET 307 Cb 1.06 -1.01 0.00 0.00 -0.71 0.00 0.00 33.22 32.57 3kuk n MET 307 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52