#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hkj s LYS 23 N 0.00 3.83 -0.35 0.00 1.02 0.24 -4.96 119.74 119.52 1hkj s LYS 23 Ca 0.00 0.51 0.00 0.00 0.02 0.00 0.00 55.97 56.50 1hkj s LYS 23 Cb 0.00 -2.41 0.14 0.00 -0.52 0.00 0.00 37.83 35.05 1hkj s LYS 23 CO 0.00 0.02 0.22 -1.17 -0.92 0.00 0.00 175.35 173.50 1hkj s LEU 24 N -3.63 0.94 -0.29 3.17 2.96 -1.25 -1.57 118.68 119.02 1hkj s LEU 24 Ca 0.52 -2.20 -0.24 0.00 -0.22 0.00 0.00 54.13 51.99 1hkj s LEU 24 Cb -0.10 -0.36 -0.00 0.00 0.50 0.00 0.00 46.19 46.23 1hkj s LEU 24 CO 0.28 -0.30 0.82 -0.69 -1.32 0.00 0.00 176.35 175.13 1hkj s VAL 25 N 1.05 4.79 -0.04 1.68 1.01 -0.43 -1.42 120.40 127.04 1hkj s VAL 25 Ca 0.19 1.34 0.06 0.00 0.00 0.00 0.00 61.98 63.56 1hkj s VAL 25 Cb -0.22 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 1hkj s VAL 25 CO 0.00 -0.20 -0.22 0.00 0.00 0.00 0.00 175.10 174.68 1hkj s TYR 27 N -0.17 3.47 -0.02 0.00 2.02 -0.76 -0.34 117.35 121.56 1hkj s TYR 27 Ca -0.01 0.70 -0.02 0.00 -0.37 0.00 0.00 57.07 57.37 1hkj s TYR 27 Cb -0.12 -2.44 -0.04 0.00 -0.40 0.00 0.00 41.96 38.96 1hkj s TYR 27 CO 0.02 0.19 0.15 0.12 -1.57 0.00 0.00 175.55 174.46 1hkj s PHE 28 N 0.62 3.48 -0.06 2.71 2.19 0.58 -1.12 117.98 126.37 1hkj s PHE 28 Ca 0.20 0.33 0.04 0.00 0.33 0.00 0.00 56.93 57.83 1hkj s PHE 28 Cb -0.14 -1.81 -0.00 0.00 -1.31 0.00 0.00 43.02 39.76 1hkj s PHE 28 CO 0.07 0.63 -0.20 0.95 1.83 0.00 0.00 175.22 178.50 1hkj s THR 29 N -1.27 1.66 -0.44 0.12 -4.23 -1.26 -0.57 115.64 109.66 1hkj s THR 29 Ca 0.25 -0.83 0.02 0.00 -1.18 0.00 0.00 61.69 59.95 1hkj s THR 29 Cb -0.12 -1.43 0.19 0.00 1.34 0.00 0.00 72.50 72.48 1hkj s THR 29 CO 0.16 0.47 1.04 -0.46 -0.54 0.00 0.00 174.62 175.30 1hkj n ASN 30 N 3.26 2.74 0.00 3.99 0.23 0.86 -3.20 115.26 123.15 1hkj n ASN 30 Ca -0.19 -2.34 0.00 0.00 -0.53 0.00 0.00 54.58 51.53 1hkj n ASN 30 Cb 0.53 -0.57 0.00 0.00 -2.08 0.00 0.00 39.78 37.66 1hkj n ASN 30 CO 0.00 0.00 0.00 -2.67 -0.93 0.00 0.00 177.26 173.66 1hkj n TRP 31 N 0.12 0.00 0.26 -2.53 2.14 -1.26 -4.55 117.44 111.61 1hkj n TRP 31 Ca 0.12 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.81 1hkj n TRP 31 Cb 0.66 0.00 0.68 0.00 -0.81 0.00 0.00 31.31 31.84 1hkj n TRP 31 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1hkj h ALA 32 N 0.00 1.23 -0.04 -1.67 0.00 -1.79 -2.27 119.26 114.72 1hkj h ALA 32 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1hkj h ALA 32 Cb 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1hkj h ALA 32 CO 0.00 0.17 0.05 -0.56 0.00 0.00 0.00 179.25 178.91 1hkj h GLN 33 N 0.00 0.00 -0.16 0.00 3.07 -1.60 -1.78 115.11 114.64 1hkj h GLN 33 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1hkj h GLN 33 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.97 1hkj h GLN 33 CO 0.02 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.60 1hkj n TYR 34 N -3.75 0.19 -1.50 0.06 4.01 -0.85 -4.55 117.16 110.76 1hkj n TYR 34 Ca -0.02 -0.10 -0.31 0.00 -0.16 0.00 0.00 57.90 57.32 1hkj n TYR 34 Cb 0.14 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.24 1hkj n TYR 34 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1hkj s ARG 35 N -1.81 2.49 0.02 -0.72 0.52 -0.74 -5.01 118.95 113.69 1hkj s ARG 35 Ca 0.34 0.88 -0.17 0.00 -0.52 0.00 0.00 55.73 56.25 1hkj s ARG 35 Cb 0.19 -1.94 -0.06 0.00 0.52 0.00 0.00 34.95 33.65 1hkj s ARG 35 CO 0.28 -1.40 0.49 -0.65 0.02 0.00 0.00 175.30 174.05 1hkj s GLN 36 N -5.05 4.10 5.04 3.54 -1.52 -1.26 -3.84 119.66 120.66 1hkj s GLN 36 Ca 0.60 0.57 0.00 0.00 -1.95 0.00 0.00 55.36 54.57 1hkj s GLN 36 Cb -0.15 -3.26 0.00 0.00 -0.22 0.00 0.00 33.01 29.38 1hkj s GLN 36 CO 0.55 0.60 0.00 0.41 -0.25 0.00 0.00 175.29 176.60 1hkj n GLY 37 N 1.97 2.02 0.24 3.09 0.00 -1.26 -2.55 105.19 108.70 1hkj n GLY 37 Ca -0.11 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.52 1hkj n GLY 37 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1hkj h GLU 38 N 0.00 0.00 0.00 1.61 4.39 -2.00 0.14 114.58 118.73 1hkj h GLU 38 Ca 0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 1hkj h GLU 38 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1hkj h GLU 38 CO 0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 179.01 177.32 1hkj h ALA 39 N 1.40 0.74 -2.14 3.43 0.00 -1.82 -3.46 119.26 117.41 1hkj h ALA 39 Ca 0.00 -0.48 -0.60 0.00 0.00 0.00 0.00 54.91 53.83 1hkj h ALA 39 Cb 0.51 -0.08 0.04 0.00 0.00 0.00 0.00 17.79 18.26 1hkj h ALA 39 CO 0.00 0.66 0.88 -2.13 0.00 0.00 0.00 179.25 178.66 1hkj n ARG 40 N -3.35 2.08 -4.52 0.00 0.63 0.50 -4.79 116.66 107.21 1hkj n ARG 40 Ca 0.01 0.76 -0.28 0.00 -0.92 0.00 0.00 57.85 57.41 1hkj n ARG 40 Cb 0.68 -2.54 -0.17 0.00 0.45 0.00 0.00 32.46 30.88 1hkj n ARG 40 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 1hkj s PHE 41 N 2.00 1.95 0.26 -0.14 2.19 -0.76 -4.95 117.98 118.54 1hkj s PHE 41 Ca 0.84 -0.89 0.04 0.00 0.33 0.00 0.00 56.93 57.25 1hkj s PHE 41 Cb -0.71 -1.40 -0.06 0.00 -1.31 0.00 0.00 43.02 39.55 1hkj s PHE 41 CO 0.44 -0.45 0.01 -0.51 1.83 0.00 0.00 175.22 176.54 1hkj s LEU 42 N 0.91 2.17 0.46 6.12 1.43 -1.26 -1.85 118.68 126.66 1hkj s LEU 42 Ca -0.08 -1.27 0.27 0.00 -1.03 0.00 0.00 54.13 52.02 1hkj s LEU 42 Cb -0.15 -0.31 1.31 0.00 0.03 0.00 0.00 46.19 47.07 1hkj s LEU 42 CO -0.00 -0.54 1.77 -0.65 0.23 0.00 0.00 176.35 177.16 1hkj h PRO 43 N 2.36 0.20 0.00 1.29 0.11 -1.97 0.16 132.00 134.15 1hkj h PRO 43 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1hkj h PRO 43 Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1hkj h PRO 43 CO 0.66 0.13 0.00 0.36 -0.21 0.00 0.00 178.00 178.94 1hkj n LYS 44 N -4.46 0.13 0.00 1.05 2.85 -1.26 -0.06 118.16 116.41 1hkj n LYS 44 Ca 0.27 0.60 0.13 0.00 -1.05 0.00 0.00 58.31 58.26 1hkj n LYS 44 Cb 1.08 -1.89 0.42 0.00 -0.65 0.00 0.00 35.03 33.99 1hkj n LYS 44 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1hkj n ASP 45 N -2.16 1.83 -4.84 -5.58 8.00 0.56 -4.90 116.55 109.46 1hkj n ASP 45 Ca -0.01 -1.60 -0.32 0.00 0.71 0.00 0.00 54.79 53.57 1hkj n ASP 45 Cb 0.05 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.12 1hkj n ASP 45 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1hkj s LEU 46 N -2.02 3.62 -0.25 0.64 1.43 0.91 -4.96 118.68 118.05 1hkj s LEU 46 Ca 0.35 1.58 -0.01 0.00 -1.03 0.00 0.00 54.13 55.02 1hkj s LEU 46 Cb 0.21 -4.51 0.03 0.00 0.03 0.00 0.00 46.19 41.95 1hkj s LEU 46 CO 0.33 -0.61 -0.06 -0.62 0.23 0.00 0.00 176.35 175.62 1hkj s ASP 47 N -3.06 4.35 0.55 2.29 -1.08 -1.26 -5.00 116.67 113.45 1hkj s ASP 47 Ca 0.59 -0.96 0.24 0.00 -0.52 0.00 0.00 52.55 51.90 1hkj s ASP 47 Cb -0.10 -1.65 1.46 0.00 -1.46 0.00 0.00 42.92 41.17 1hkj s ASP 47 CO 0.31 -0.14 2.07 -0.65 0.52 0.00 0.00 175.17 177.28 1hkj h PRO 48 N 7.98 0.00 -0.01 4.34 0.11 -1.96 -3.10 132.00 139.37 1hkj h PRO 48 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1hkj h PRO 48 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1hkj h PRO 48 CO 0.56 0.00 -0.58 -1.13 -0.21 0.00 0.00 178.00 176.65 1hkj n SER 49 N -4.21 1.58 -0.20 -2.05 3.41 -1.26 -4.60 113.62 106.30 1hkj n SER 49 Ca 0.04 -1.29 -0.08 0.00 -0.26 0.00 0.00 58.87 57.28 1hkj n SER 49 Cb 0.39 0.64 0.02 0.00 -0.26 0.00 0.00 64.21 65.00 1hkj n SER 49 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1hkj h LEU 50 N 1.53 0.83 -9.44 1.04 5.85 -1.98 -3.44 115.31 109.70 1hkj h LEU 50 Ca 0.00 -0.20 -0.59 0.00 0.84 0.00 0.00 57.88 57.93 1hkj h LEU 50 Cb 0.61 -0.22 -0.12 0.00 0.37 0.00 0.00 40.66 41.31 1hkj h LEU 50 CO 0.00 0.81 -0.68 0.00 -0.34 0.00 0.00 178.44 178.23 1hkj h THR 52 N 2.00 1.10 -3.38 0.00 1.35 -1.55 -3.46 112.91 108.98 1hkj h THR 52 Ca -0.42 -2.89 -0.41 0.00 -0.55 0.00 0.00 66.41 62.14 1hkj h THR 52 Cb 1.25 2.58 -0.36 0.00 -1.73 0.00 0.00 68.15 69.90 1hkj h THR 52 CO 0.63 0.68 -0.77 -1.00 -0.25 0.00 0.00 175.52 174.81 1hkj s HIS 53 N -2.63 0.67 -0.19 4.73 3.76 -1.05 -2.13 115.29 118.45 1hkj s HIS 53 Ca -0.05 -0.17 -0.05 0.00 -0.15 0.00 0.00 55.06 54.64 1hkj s HIS 53 Cb 0.08 -0.69 -0.03 0.00 1.11 0.00 0.00 32.58 33.05 1hkj s HIS 53 CO 0.82 -0.24 0.00 -0.51 -0.85 0.00 0.00 174.74 173.96 1hkj s LEU 54 N 1.36 3.30 -0.17 0.89 1.43 0.01 -0.33 118.68 125.17 1hkj s LEU 54 Ca -0.04 -0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 52.85 1hkj s LEU 54 Cb -0.13 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 1hkj s LEU 54 CO -0.02 0.08 -0.04 -0.63 0.23 0.00 0.00 176.35 175.96 1hkj s ILE 55 N 0.90 3.71 -0.42 -0.59 1.01 0.54 -1.02 121.20 125.33 1hkj s ILE 55 Ca 0.01 -0.41 -0.21 0.00 0.00 0.00 0.00 60.65 60.04 1hkj s ILE 55 Cb -0.14 -2.64 0.02 0.00 0.01 0.00 0.00 42.46 39.71 1hkj s ILE 55 CO 0.02 0.47 0.68 -0.47 0.00 0.00 0.00 174.94 175.64 1hkj s TYR 56 N 0.66 3.07 -0.16 3.97 6.14 0.14 -0.31 117.35 130.87 1hkj s TYR 56 Ca -0.03 0.12 -0.04 0.00 0.64 0.00 0.00 57.07 57.76 1hkj s TYR 56 Cb -0.15 -3.37 -0.03 0.00 0.42 0.00 0.00 41.96 38.83 1hkj s TYR 56 CO 0.02 -0.83 -0.01 0.00 0.64 0.00 0.00 175.55 175.37 1hkj s ALA 57 N 2.92 3.10 0.09 3.97 0.00 0.26 -1.06 121.76 131.03 1hkj s ALA 57 Ca 0.25 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.43 1hkj s ALA 57 Cb -0.14 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 1hkj s ALA 57 CO 0.19 0.22 -0.07 -0.06 0.00 0.00 0.00 175.76 176.04 1hkj s PHE 58 N 0.34 0.84 0.08 0.00 0.08 -1.26 -0.10 117.98 117.96 1hkj s PHE 58 Ca -0.02 -0.85 0.06 0.00 0.12 0.00 0.00 56.93 56.23 1hkj s PHE 58 Cb -0.14 -0.49 -0.04 0.00 -0.57 0.00 0.00 43.02 41.78 1hkj s PHE 58 CO 0.02 -0.15 -0.07 0.00 -0.10 0.00 0.00 175.22 174.93 1hkj s ALA 59 N -3.26 3.06 0.00 5.36 0.00 0.28 -4.49 121.76 122.72 1hkj s ALA 59 Ca 0.08 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1hkj s ALA 59 Cb 0.03 -1.02 0.00 0.00 0.00 0.00 0.00 23.12 22.13 1hkj s ALA 59 CO -0.04 0.65 0.00 0.41 0.00 0.00 0.00 175.76 176.78 1hkj n GLY 60 N 0.80 2.99 3.00 0.00 0.00 0.37 -2.64 105.19 109.72 1hkj n GLY 60 Ca -0.13 -1.93 -0.11 0.00 0.00 0.00 0.00 46.02 43.85 1hkj n GLY 60 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1hkj s MET 61 N 3.13 0.26 -0.26 1.61 1.75 -1.26 -1.71 119.30 122.83 1hkj s MET 61 Ca 0.00 -0.28 -0.02 0.00 -1.25 0.00 0.00 55.69 54.14 1hkj s MET 61 Cb 0.00 0.11 0.15 0.00 2.84 0.00 0.00 34.83 37.92 1hkj s MET 61 CO 0.00 -0.05 0.43 0.99 -0.65 0.00 0.00 175.02 175.74 1hkj s THR 62 N -0.86 -0.69 -0.70 10.11 2.01 0.20 -4.90 115.64 120.82 1hkj s THR 62 Ca -0.09 -0.07 -0.02 0.00 0.31 0.00 0.00 61.69 61.82 1hkj s THR 62 Cb -0.06 -0.86 0.00 0.00 0.01 0.00 0.00 72.50 71.59 1hkj s THR 62 CO 0.00 -0.11 0.60 0.59 -0.69 0.00 0.00 174.62 175.01 1hkj n ASN 63 N 5.38 -3.10 -2.28 3.53 3.02 -1.26 -2.40 115.26 118.15 1hkj n ASN 63 Ca -0.03 -0.32 -0.19 0.00 -0.03 0.00 0.00 54.58 54.01 1hkj n ASN 63 Cb 0.50 -3.03 -0.02 0.00 -0.61 0.00 0.00 39.78 36.62 1hkj n ASN 63 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1hkj n HIS 64 N -3.25 -0.94 -4.46 3.10 8.25 -1.26 -4.88 115.22 111.78 1hkj n HIS 64 Ca -0.09 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.16 1hkj n HIS 64 Cb 0.57 -3.66 -0.14 0.00 1.12 0.00 0.00 29.99 27.88 1hkj n HIS 64 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1hkj s GLN 65 N -4.82 1.03 0.26 -0.41 -0.21 -1.01 -1.98 119.66 112.51 1hkj s GLN 65 Ca 0.00 -0.69 -0.30 0.00 0.02 0.00 0.00 55.36 54.39 1hkj s GLN 65 Cb 0.00 -1.03 -0.10 0.00 1.00 0.00 0.00 33.01 32.88 1hkj s GLN 65 CO 0.00 0.26 1.40 -1.17 -2.12 0.00 0.00 175.29 173.66 1hkj s LEU 66 N -0.90 4.40 0.14 2.90 2.96 -1.26 -0.63 118.68 126.29 1hkj s LEU 66 Ca 0.03 2.64 -0.11 0.00 -0.22 0.00 0.00 54.13 56.47 1hkj s LEU 66 Cb -0.07 -3.63 0.01 0.00 0.50 0.00 0.00 46.19 43.00 1hkj s LEU 66 CO 0.01 -0.65 0.30 -0.94 -1.32 0.00 0.00 176.35 173.75 1hkj s SER 67 N 0.21 -0.02 1.09 3.68 1.04 -0.70 -4.83 113.70 114.17 1hkj s SER 67 Ca 0.57 -0.65 -0.16 0.00 0.48 0.00 0.00 55.95 56.19 1hkj s SER 67 Cb -0.41 0.43 0.23 0.00 0.10 0.00 0.00 66.02 66.38 1hkj s SER 67 CO 0.44 -0.85 1.13 0.42 0.98 0.00 0.00 173.24 175.36 1hkj s THR 68 N -3.89 1.80 0.00 2.02 -4.23 -1.26 -0.48 115.64 109.60 1hkj s THR 68 Ca 0.10 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.61 1hkj s THR 68 Cb 0.03 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.29 1hkj s THR 68 CO -0.06 0.00 0.00 0.35 -0.54 0.00 0.00 174.62 174.37 1hkj n THR 69 N -4.39 0.00 -4.32 3.99 -2.24 -1.26 -4.28 114.28 101.79 1hkj n THR 69 Ca 0.10 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.66 1hkj n THR 69 Cb 0.59 1.11 -0.11 0.00 -2.10 0.00 0.00 70.33 69.82 1hkj n THR 69 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1hkj s GLU 70 N 0.00 1.22 0.00 -0.78 0.41 -1.26 -5.01 118.70 113.28 1hkj s GLU 70 Ca 0.00 -1.34 0.04 0.00 -0.41 0.00 0.00 54.97 53.26 1hkj s GLU 70 Cb 0.00 -1.31 0.18 0.00 -1.78 0.00 0.00 34.13 31.22 1hkj s GLU 70 CO 0.00 0.28 1.02 -2.67 -0.49 0.00 0.00 175.26 173.40 1hkj n TRP 71 N 0.50 0.00 -1.89 1.61 4.27 -1.26 -2.58 117.44 118.08 1hkj n TRP 71 Ca -0.15 0.00 0.04 0.00 -3.89 0.00 0.00 57.50 53.50 1hkj n TRP 71 Cb 0.56 -0.38 0.06 0.00 -1.36 0.00 0.00 31.31 30.20 1hkj n TRP 71 CO 0.00 0.00 0.00 0.27 -2.29 0.00 0.00 177.69 175.67 1hkj n ASN 72 N -1.38 0.95 -0.01 -0.67 6.94 -1.26 -4.88 115.26 114.96 1hkj n ASN 72 Ca 0.01 -2.46 0.05 0.00 -0.02 0.00 0.00 54.58 52.16 1hkj n ASN 72 Cb 0.04 -0.31 0.43 0.00 -2.36 0.00 0.00 39.78 37.58 1hkj n ASN 72 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1hkj h ASP 73 N 0.39 0.46 -0.41 0.53 3.32 -1.91 -1.24 116.42 117.55 1hkj h ASP 73 Ca -0.06 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.89 1hkj h ASP 73 Cb 1.40 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.82 1hkj h ASP 73 CO 0.03 0.33 -0.08 -0.33 -1.72 0.00 0.00 179.24 177.46 1hkj h GLU 74 N 0.54 0.85 -0.31 3.56 5.08 -1.89 0.64 114.58 123.05 1hkj h GLU 74 Ca 0.16 -0.28 -0.18 0.00 -1.00 0.00 0.00 59.36 58.07 1hkj h GLU 74 Cb 0.00 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1hkj h GLU 74 CO -0.04 0.90 -0.51 1.15 -1.00 0.00 0.00 179.01 179.52 1hkj h THR 75 N 0.77 1.28 -0.24 1.13 2.02 -1.75 -2.32 112.91 113.79 1hkj h THR 75 Ca 0.13 -1.69 -0.09 0.00 0.77 0.00 0.00 66.41 65.53 1hkj h THR 75 Cb 0.58 1.57 -0.00 0.00 -1.74 0.00 0.00 68.15 68.56 1hkj h THR 75 CO 0.04 0.55 -0.21 -0.07 0.37 0.00 0.00 175.52 176.20 1hkj h LEU 76 N 0.68 0.60 -0.74 2.58 3.38 -1.01 -1.92 115.31 118.87 1hkj h LEU 76 Ca 0.03 -0.46 0.16 0.00 0.09 0.00 0.00 57.88 57.70 1hkj h LEU 76 Cb 1.11 -0.17 -0.11 0.00 0.09 0.00 0.00 40.66 41.58 1hkj h LEU 76 CO 0.11 0.93 0.21 1.88 0.09 0.00 0.00 178.44 181.67 1hkj h TYR 77 N 0.28 0.33 -0.45 1.13 0.05 0.37 0.65 116.97 119.32 1hkj h TYR 77 Ca 0.04 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 1hkj h TYR 77 Cb 0.75 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.44 1hkj h TYR 77 CO 0.07 -0.06 0.26 1.96 -1.05 0.00 0.00 178.16 179.34 1hkj h GLN 78 N 0.30 0.63 -0.18 4.88 4.20 -1.08 0.87 115.11 124.72 1hkj h GLN 78 Ca 0.42 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.97 1hkj h GLN 78 Cb 0.71 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 1hkj h GLN 78 CO -0.49 0.48 -0.27 0.93 -0.67 0.00 0.00 178.83 178.81 1hkj h GLU 79 N 0.60 0.50 0.13 1.46 5.08 -0.52 0.30 114.58 122.13 1hkj h GLU 79 Ca 0.16 -0.30 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1hkj h GLU 79 Cb 0.03 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1hkj h GLU 79 CO -0.03 0.89 -0.39 0.35 -1.00 0.00 0.00 179.01 178.83 1hkj h PHE 80 N 0.15 -1.13 0.00 4.33 3.57 0.48 -2.69 116.94 121.65 1hkj h PHE 80 Ca 0.02 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 1hkj h PHE 80 Cb 0.85 0.48 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 1hkj h PHE 80 CO 0.09 -0.45 -0.18 -0.91 -2.23 0.00 0.00 178.31 174.63 1hkj h ASN 81 N -0.59 0.00 0.56 0.41 2.35 -0.89 -2.69 115.58 114.73 1hkj h ASN 81 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1hkj h ASN 81 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1hkj h ASN 81 CO -0.19 0.18 0.00 1.23 -1.65 0.00 0.00 177.43 177.00 1hkj h GLY 82 N 2.01 0.00 1.96 2.83 0.00 -0.61 -1.99 103.07 107.27 1hkj h GLY 82 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.33 1hkj h GLY 82 CO 0.02 0.00 0.02 1.41 0.00 0.00 0.00 176.54 177.99 1hkj h LEU 83 N 0.00 0.00 -0.39 3.11 3.38 -1.24 -0.75 115.31 119.42 1hkj h LEU 83 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1hkj h LEU 83 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1hkj h LEU 83 CO 0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 1hkj n LYS 84 N -4.26 0.05 0.08 1.13 5.02 -0.75 -1.00 118.16 118.44 1hkj n LYS 84 Ca -0.03 0.45 -0.12 0.00 -2.02 0.00 0.00 58.31 56.59 1hkj n LYS 84 Cb 0.11 -1.64 -0.06 0.00 -0.02 0.00 0.00 35.03 33.41 1hkj n LYS 84 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1hkj h LYS 85 N 0.00 0.29 0.00 1.97 1.57 -1.34 0.09 116.57 119.16 1hkj h LYS 85 Ca 0.00 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1hkj h LYS 85 Cb 0.11 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1hkj h LYS 85 CO 0.00 1.09 -0.49 0.52 -0.57 0.00 0.00 179.45 180.00 1hkj h MET 86 N 0.14 0.00 -1.48 3.15 2.86 -1.21 -3.40 114.93 114.99 1hkj h MET 86 Ca -0.08 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.31 1hkj h MET 86 Cb 1.67 0.00 -0.25 0.00 0.06 0.00 0.00 31.60 33.09 1hkj h MET 86 CO 0.16 0.00 -0.60 1.21 1.06 0.00 0.00 176.91 178.75 1hkj s ASN 87 N -5.06 -0.24 0.06 1.22 2.47 -0.61 -5.00 114.94 107.78 1hkj s ASN 87 Ca 0.05 -1.52 0.05 0.00 0.42 0.00 0.00 52.86 51.86 1hkj s ASN 87 Cb 0.10 1.20 0.25 0.00 -1.45 0.00 0.00 41.25 41.35 1hkj s ASN 87 CO 0.71 -0.18 1.15 -2.65 -3.72 0.00 0.00 177.10 172.41 1hkj n PRO 88 N 3.87 0.03 0.07 0.43 -0.02 0.01 -1.66 135.00 137.73 1hkj n PRO 88 Ca 0.15 0.52 0.12 0.00 -2.02 0.00 0.00 63.50 62.26 1hkj n PRO 88 Cb 0.51 -1.59 0.14 0.00 -0.02 0.00 0.00 33.50 32.55 1hkj n PRO 88 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1hkj h LYS 89 N 0.00 0.00 -6.94 -0.52 1.79 -1.95 -3.47 116.57 105.49 1hkj h LYS 89 Ca 0.00 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.95 1hkj h LYS 89 Cb 0.01 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 30.74 1hkj h LYS 89 CO 0.00 0.00 0.60 -1.17 -1.08 0.00 0.00 179.45 177.80 1hkj s LEU 90 N -4.44 4.24 -0.14 2.94 2.96 -0.66 -4.97 118.68 118.61 1hkj s LEU 90 Ca 0.05 2.61 0.02 0.00 -0.22 0.00 0.00 54.13 56.59 1hkj s LEU 90 Cb 0.13 -3.89 0.02 0.00 0.50 0.00 0.00 46.19 42.94 1hkj s LEU 90 CO 0.73 -0.78 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.25 1hkj s LYS 91 N -2.18 2.71 0.13 1.98 -0.14 -0.90 -4.93 119.74 116.40 1hkj s LYS 91 Ca 0.56 -0.73 0.05 0.00 -1.36 0.00 0.00 55.97 54.48 1hkj s LYS 91 Cb -0.37 -2.28 -0.04 0.00 -1.68 0.00 0.00 37.83 33.46 1hkj s LYS 91 CO 0.48 -0.10 0.08 0.95 -0.76 0.00 0.00 175.35 176.00 1hkj s THR 92 N 1.06 4.34 0.03 2.17 -4.23 -1.26 -0.81 115.64 116.94 1hkj s THR 92 Ca -0.03 -1.01 -0.07 0.00 -1.18 0.00 0.00 61.69 59.40 1hkj s THR 92 Cb -0.14 -3.15 -0.00 0.00 1.34 0.00 0.00 72.50 70.54 1hkj s THR 92 CO -0.05 -0.00 0.14 -0.76 -0.54 0.00 0.00 174.62 173.40 1hkj s LEU 93 N -2.74 1.60 -0.15 4.79 1.02 -0.19 -0.29 118.68 122.72 1hkj s LEU 93 Ca 0.29 -0.41 -0.05 0.00 0.02 0.00 0.00 54.13 53.98 1hkj s LEU 93 Cb -0.11 0.74 -0.03 0.00 0.02 0.00 0.00 46.19 46.81 1hkj s LEU 93 CO 0.22 -0.50 0.02 -0.22 0.02 0.00 0.00 176.35 175.89 1hkj s LEU 94 N -1.96 3.58 -0.19 1.79 2.96 -0.18 0.29 118.68 124.96 1hkj s LEU 94 Ca -0.07 0.03 -0.08 0.00 -0.22 0.00 0.00 54.13 53.79 1hkj s LEU 94 Cb -0.02 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 1hkj s LEU 94 CO -0.03 0.22 0.07 0.00 -1.32 0.00 0.00 176.35 175.29 1hkj s ALA 95 N 0.10 3.41 -0.12 5.97 0.00 -0.23 -0.46 121.76 130.44 1hkj s ALA 95 Ca 0.02 -0.78 -0.05 0.00 0.00 0.00 0.00 51.96 51.16 1hkj s ALA 95 Cb -0.13 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 1hkj s ALA 95 CO 0.02 0.11 0.06 -1.50 0.00 0.00 0.00 175.76 174.45 1hkj s ILE 96 N 0.49 4.77 0.00 0.00 2.07 -0.63 -0.56 121.20 127.34 1hkj s ILE 96 Ca 0.04 -0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.21 1hkj s ILE 96 Cb -0.13 -3.06 0.00 0.00 0.13 0.00 0.00 42.46 39.40 1hkj s ILE 96 CO 0.01 0.58 0.00 0.61 -1.91 0.00 0.00 174.94 174.22 1hkj n GLY 97 N 2.40 0.32 0.00 1.50 0.00 -1.08 -0.85 105.19 107.49 1hkj n GLY 97 Ca -0.19 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1hkj n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hkj n GLY 98 N 0.00 2.97 0.25 -0.02 0.00 0.81 -4.48 105.19 104.72 1hkj n GLY 98 Ca 0.00 -1.90 -0.04 0.00 0.00 0.00 0.00 46.02 44.08 1hkj n GLY 98 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1hkj h TRP 99 N 0.00 -0.47 -0.07 1.61 2.91 -1.92 -1.27 115.95 116.74 1hkj h TRP 99 Ca 0.00 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.07 1hkj h TRP 99 Cb 0.00 0.28 0.00 0.00 -0.51 0.00 0.00 29.16 28.93 1hkj h TRP 99 CO 0.00 -0.28 0.00 0.09 -1.03 0.00 0.00 178.44 177.22 1hkj n ASN 100 N -5.39 1.05 0.05 2.65 3.02 -1.26 -3.66 115.26 111.73 1hkj n ASN 100 Ca 0.04 -2.06 -0.18 0.00 -0.03 0.00 0.00 54.58 52.35 1hkj n ASN 100 Cb 0.30 -0.33 -0.14 0.00 -0.61 0.00 0.00 39.78 39.00 1hkj n ASN 100 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1hkj h PHE 101 N 0.43 0.50 0.00 3.10 3.57 -1.45 -3.51 116.94 119.58 1hkj h PHE 101 Ca 0.00 -0.36 0.00 0.00 3.53 0.00 0.00 57.97 61.14 1hkj h PHE 101 Cb 0.43 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.15 1hkj h PHE 101 CO 0.09 1.48 0.00 0.41 -2.23 0.00 0.00 178.31 178.05 1hkj n GLY 102 N 1.74 -3.53 0.03 2.40 0.00 -1.24 -4.80 105.19 99.79 1hkj n GLY 102 Ca -0.20 -1.99 -0.01 0.00 0.00 0.00 0.00 46.02 43.82 1hkj n GLY 102 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hkj n THR 103 N -0.16 0.43 0.00 2.61 -2.24 -1.26 -4.56 114.28 109.09 1hkj n THR 103 Ca 0.00 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1hkj n THR 103 Cb 0.00 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 1hkj n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hkj n GLN 104 N -2.19 0.00 -0.06 -0.78 3.00 -1.26 -0.71 117.38 115.38 1hkj n GLN 104 Ca -0.11 0.58 0.24 0.00 -0.01 0.00 0.00 57.00 57.70 1hkj n GLN 104 Cb 0.62 -0.93 0.72 0.00 0.00 0.00 0.00 30.24 30.65 1hkj n GLN 104 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1hkj h LYS 105 N 0.00 0.00 0.16 -1.09 1.57 -1.89 -1.81 116.57 113.51 1hkj h LYS 105 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1hkj h LYS 105 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1hkj h LYS 105 CO 0.00 0.00 -0.08 0.74 -0.57 0.00 0.00 179.45 179.54 1hkj h PHE 106 N 0.00 -0.20 -0.92 -1.35 0.04 -1.23 -2.47 116.94 110.82 1hkj h PHE 106 Ca 0.32 -0.00 0.15 0.00 2.80 0.00 0.00 57.97 61.24 1hkj h PHE 106 Cb 1.38 0.06 -0.08 0.00 2.20 0.00 0.00 35.95 39.52 1hkj h PHE 106 CO 0.00 0.21 0.59 1.15 -0.60 0.00 0.00 178.31 179.66 1hkj h THR 107 N -0.92 0.81 -0.20 -1.55 2.02 -0.68 -0.78 112.91 111.61 1hkj h THR 107 Ca -0.02 -0.24 -0.15 0.00 0.77 0.00 0.00 66.41 66.77 1hkj h THR 107 Cb 0.50 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1hkj h THR 107 CO 0.04 0.13 -0.46 -0.78 0.37 0.00 0.00 175.52 174.81 1hkj h ASP 108 N 0.70 0.75 -0.04 4.18 3.58 -1.43 -2.99 116.42 121.17 1hkj h ASP 108 Ca 0.47 -0.56 -0.09 0.00 0.42 0.00 0.00 57.03 57.27 1hkj h ASP 108 Cb 0.77 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.59 1hkj h ASP 108 CO -0.23 1.18 -0.23 -0.03 -2.88 0.00 0.00 179.24 177.05 1hkj h MET 109 N 0.36 0.44 -0.44 0.28 4.05 -0.79 -2.76 114.93 116.07 1hkj h MET 109 Ca -0.00 -0.16 0.00 0.00 -0.28 0.00 0.00 59.70 59.26 1hkj h MET 109 Cb 1.07 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.84 1hkj h MET 109 CO 0.10 0.65 0.00 1.33 0.23 0.00 0.00 176.91 179.22 1hkj n VAL 110 N -4.14 0.58 -0.02 -5.77 0.24 -0.40 -2.35 118.33 106.47 1hkj n VAL 110 Ca -0.00 -0.60 -0.16 0.00 -2.04 0.00 0.00 64.34 61.53 1hkj n VAL 110 Cb 0.39 0.33 -0.06 0.00 -1.47 0.00 0.00 33.84 33.03 1hkj n VAL 110 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1hkj h ALA 111 N 3.88 0.36 -3.69 2.33 0.00 -1.33 -3.47 119.26 117.34 1hkj h ALA 111 Ca 0.00 -0.59 -0.44 0.00 0.00 0.00 0.00 54.91 53.88 1hkj h ALA 111 Cb 0.62 -0.03 -0.24 0.00 0.00 0.00 0.00 17.79 18.14 1hkj h ALA 111 CO 0.00 0.69 -0.79 0.95 0.00 0.00 0.00 179.25 180.10 1hkj s THR 112 N -3.78 1.10 0.15 0.00 -4.23 -1.26 -5.04 115.64 102.58 1hkj s THR 112 Ca -0.10 -1.05 -0.30 0.00 -1.18 0.00 0.00 61.69 59.07 1hkj s THR 112 Cb 0.09 -1.01 -0.04 0.00 1.34 0.00 0.00 72.50 72.88 1hkj s THR 112 CO 0.90 -0.04 1.56 0.00 -0.54 0.00 0.00 174.62 176.49 1hkj h ALA 113 N 4.82 -0.57 -0.12 3.99 0.00 -1.91 0.65 119.26 126.13 1hkj h ALA 113 Ca -0.38 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.62 1hkj h ALA 113 Cb 1.18 1.09 -0.00 0.00 0.00 0.00 0.00 17.79 20.06 1hkj h ALA 113 CO 0.43 -0.95 0.17 -0.97 0.00 0.00 0.00 179.25 177.93 1hkj h ASN 114 N -0.28 0.00 0.04 0.00 -0.73 -1.96 0.15 115.58 112.80 1hkj h ASN 114 Ca 0.13 0.00 -0.11 0.00 1.87 0.00 0.00 56.30 58.19 1hkj h ASN 114 Cb 0.56 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.15 1hkj h ASN 114 CO -0.68 0.00 -0.55 0.78 -0.37 0.00 0.00 177.43 176.61 1hkj h ASN 115 N 0.00 0.14 -0.79 1.15 2.35 -0.14 -1.87 115.58 116.42 1hkj h ASN 115 Ca 0.06 -0.89 0.07 0.00 -0.55 0.00 0.00 56.30 54.98 1hkj h ASN 115 Cb 0.40 -0.05 -0.06 0.00 0.05 0.00 0.00 38.32 38.66 1hkj h ASN 115 CO -0.00 1.24 0.47 0.03 -1.65 0.00 0.00 177.43 177.52 1hkj h ARG 116 N -0.79 0.83 -0.48 0.81 3.08 0.32 -1.91 114.38 116.24 1hkj h ARG 116 Ca -0.12 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.84 1hkj h ARG 116 Cb 1.27 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 1hkj h ARG 116 CO 0.00 0.55 0.14 0.37 -1.07 0.00 0.00 179.97 179.96 1hkj h GLN 117 N 0.85 0.75 -0.76 0.04 -0.00 -0.82 -0.53 115.11 114.65 1hkj h GLN 117 Ca 0.36 -0.16 0.05 0.00 -0.00 0.00 0.00 58.65 58.89 1hkj h GLN 117 Cb 0.21 -0.11 -0.05 0.00 0.00 0.00 0.00 27.48 27.53 1hkj h GLN 117 CO -0.19 0.71 0.46 1.15 0.00 0.00 0.00 178.83 180.96 1hkj h THR 118 N 0.64 1.04 0.48 2.39 2.02 -0.82 -1.10 112.91 117.56 1hkj h THR 118 Ca 0.15 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1hkj h THR 118 Cb 0.28 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1hkj h THR 118 CO -0.00 0.16 -0.23 0.15 0.37 0.00 0.00 175.52 175.96 1hkj h PHE 119 N 0.86 -0.60 -0.82 3.16 3.57 -0.71 -2.13 116.94 120.27 1hkj h PHE 119 Ca 0.33 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.96 1hkj h PHE 119 Cb 0.13 0.20 -0.15 0.00 2.79 0.00 0.00 35.95 38.92 1hkj h PHE 119 CO -0.05 -0.37 -0.27 0.28 -2.23 0.00 0.00 178.31 175.66 1hkj h VAL 120 N -0.78 0.13 -0.53 1.41 2.07 -1.03 0.83 116.25 118.34 1hkj h VAL 120 Ca -0.07 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1hkj h VAL 120 Cb 0.50 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1hkj h VAL 120 CO 0.11 0.00 0.23 0.78 0.02 0.00 0.00 177.57 178.71 1hkj h ASN 121 N -0.04 0.68 -0.27 0.57 2.35 -1.25 -0.57 115.58 117.06 1hkj h ASN 121 Ca 0.36 -0.07 -0.16 0.00 -0.55 0.00 0.00 56.30 55.87 1hkj h ASN 121 Cb 0.60 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.79 1hkj h ASN 121 CO -0.85 0.60 -0.45 0.77 -1.65 0.00 0.00 177.43 175.85 1hkj h SER 122 N 0.75 0.86 0.16 5.81 4.64 0.44 -1.97 113.55 124.24 1hkj h SER 122 Ca 0.18 -0.53 0.02 0.00 -0.47 0.00 0.00 61.79 60.99 1hkj h SER 122 Cb 0.12 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 61.93 1hkj h SER 122 CO -0.02 1.22 -0.39 0.00 -0.87 0.00 0.00 176.83 176.77 1hkj h ALA 123 N 0.66 -0.70 0.23 5.18 0.00 0.11 0.41 119.26 125.16 1hkj h ALA 123 Ca 0.02 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1hkj h ALA 123 Cb 1.05 0.63 -0.04 0.00 0.00 0.00 0.00 17.79 19.43 1hkj h ALA 123 CO 0.10 -0.95 -0.46 0.82 0.00 0.00 0.00 179.25 178.76 1hkj h ILE 124 N -0.64 0.09 -0.69 0.00 2.04 -1.14 0.40 117.51 117.57 1hkj h ILE 124 Ca 0.02 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.94 1hkj h ILE 124 Cb 0.66 0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 1hkj h ILE 124 CO -0.20 0.00 0.46 -0.09 0.00 0.00 0.00 178.15 178.31 1hkj h ARG 125 N -0.77 0.71 -0.01 2.37 2.43 -1.18 -1.63 114.38 116.30 1hkj h ARG 125 Ca -0.01 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1hkj h ARG 125 Cb 0.75 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1hkj h ARG 125 CO -0.20 0.47 -0.01 0.35 -1.51 0.00 0.00 179.97 179.08 1hkj h PHE 126 N 0.73 0.02 -0.42 2.20 3.04 0.48 -0.85 116.94 122.14 1hkj h PHE 126 Ca 0.29 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.25 1hkj h PHE 126 Cb 0.23 -0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.71 1hkj h PHE 126 CO -0.00 0.51 0.26 -0.07 -2.02 0.00 0.00 178.31 176.99 1hkj h LEU 127 N -0.48 0.44 -0.14 0.59 3.38 0.04 -2.50 115.31 116.64 1hkj h LEU 127 Ca 0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1hkj h LEU 127 Cb 0.50 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1hkj h LEU 127 CO 0.00 0.32 0.04 0.03 0.09 0.00 0.00 178.44 178.92 1hkj h ARG 128 N 0.53 0.22 -0.75 1.13 2.47 -1.36 0.26 114.38 116.88 1hkj h ARG 128 Ca 0.16 -0.05 0.15 0.00 -1.26 0.00 0.00 59.98 58.98 1hkj h ARG 128 Cb -0.03 -0.03 -0.14 0.00 -1.65 0.00 0.00 29.97 28.12 1hkj h ARG 128 CO -0.05 0.37 -0.22 -0.22 0.56 0.00 0.00 179.97 180.40 1hkj h LYS 129 N 0.04 -0.02 -0.05 0.04 3.11 -0.90 -2.11 116.57 116.67 1hkj h LYS 129 Ca 0.04 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 1hkj h LYS 129 Cb 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.48 1hkj h LYS 129 CO -0.00 -0.01 0.00 0.66 -2.81 0.00 0.00 179.45 177.28 1hkj n TYR 130 N -5.49 0.03 -2.52 1.91 4.01 -0.96 -4.99 117.16 109.15 1hkj n TYR 130 Ca 0.10 -0.02 -0.02 0.00 -0.16 0.00 0.00 57.90 57.80 1hkj n TYR 130 Cb 0.39 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.42 1hkj n TYR 130 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1hkj n SER 131 N 1.17 -2.24 -4.85 7.72 7.64 -0.14 -4.73 113.62 118.19 1hkj n SER 131 Ca 0.15 -0.04 -0.36 0.00 1.01 0.00 0.00 58.87 59.63 1hkj n SER 131 Cb 0.56 -0.87 -0.06 0.00 -1.01 0.00 0.00 64.21 62.84 1hkj n SER 131 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1hkj s PHE 132 N -2.91 3.65 -1.10 1.43 0.08 0.72 -4.83 117.98 115.02 1hkj s PHE 132 Ca 0.04 0.98 0.26 0.00 0.12 0.00 0.00 56.93 58.34 1hkj s PHE 132 Cb -0.02 -2.30 0.72 0.00 -0.57 0.00 0.00 43.02 40.86 1hkj s PHE 132 CO 0.05 0.53 1.56 -0.25 -0.10 0.00 0.00 175.22 177.01 1hkj n ASP 133 N 1.18 0.43 -3.25 1.36 8.00 0.61 -4.51 116.55 120.37 1hkj n ASP 133 Ca -0.09 -0.16 0.01 0.00 0.71 0.00 0.00 54.79 55.26 1hkj n ASP 133 Cb 0.52 0.06 0.01 0.00 -0.02 0.00 0.00 41.12 41.70 1hkj n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hkj n GLY 134 N 1.47 0.38 3.11 0.44 0.00 -0.91 -0.34 105.19 109.34 1hkj n GLY 134 Ca 0.07 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 1hkj n GLY 134 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1hkj s LEU 135 N 0.00 1.86 -0.29 0.99 2.96 0.46 -1.02 118.68 123.65 1hkj s LEU 135 Ca 0.24 -0.46 -0.04 0.00 -0.22 0.00 0.00 54.13 53.65 1hkj s LEU 135 Cb -0.01 -1.17 0.03 0.00 0.50 0.00 0.00 46.19 45.55 1hkj s LEU 135 CO 0.01 0.07 0.03 -0.62 -1.32 0.00 0.00 176.35 174.52 1hkj s ASP 136 N 0.68 4.89 -0.03 3.68 2.15 0.40 -1.31 116.67 127.12 1hkj s ASP 136 Ca -0.13 -1.01 -0.30 0.00 0.43 0.00 0.00 52.55 51.55 1hkj s ASP 136 Cb -0.16 -1.77 -0.02 0.00 -0.30 0.00 0.00 42.92 40.66 1hkj s ASP 136 CO 0.03 -0.23 1.00 -0.76 -0.17 0.00 0.00 175.17 175.04 1hkj s LEU 137 N 1.36 4.33 -0.46 -1.34 1.43 0.15 -1.60 118.68 122.54 1hkj s LEU 137 Ca -0.01 1.63 0.06 0.00 -1.03 0.00 0.00 54.13 54.77 1hkj s LEU 137 Cb -0.18 -3.57 0.22 0.00 0.03 0.00 0.00 46.19 42.69 1hkj s LEU 137 CO -0.00 -0.33 0.49 -0.67 0.23 0.00 0.00 176.35 176.07 1hkj n ASP 138 N 4.27 0.74 -4.59 2.29 2.03 -0.03 -0.27 116.55 120.99 1hkj n ASP 138 Ca 0.07 -2.74 -0.39 0.00 0.52 0.00 0.00 54.79 52.25 1hkj n ASP 138 Cb 0.50 -0.63 -0.10 0.00 -0.72 0.00 0.00 41.12 40.18 1hkj n ASP 138 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 1hkj s TRP 139 N -0.98 3.23 -0.54 -0.67 -0.11 -1.26 -0.13 118.94 118.48 1hkj s TRP 139 Ca 0.34 0.25 0.01 0.00 1.22 0.00 0.00 56.10 57.92 1hkj s TRP 139 Cb 0.10 -2.52 0.14 0.00 -1.50 0.00 0.00 33.47 29.69 1hkj s TRP 139 CO -0.13 -0.24 0.30 -1.21 -4.62 0.00 0.00 176.95 171.05 1hkj s GLU 140 N 1.95 2.13 0.06 5.86 2.02 -1.26 -3.98 118.70 125.49 1hkj s GLU 140 Ca 0.12 -2.50 -0.10 0.00 0.02 0.00 0.00 54.97 52.51 1hkj s GLU 140 Cb -0.16 -3.46 0.00 0.00 0.10 0.00 0.00 34.13 30.62 1hkj s GLU 140 CO 0.11 -1.11 0.21 0.71 0.02 0.00 0.00 175.26 175.19 1hkj s TYR 141 N -0.06 0.07 -0.18 1.61 2.02 -1.26 -4.63 117.35 114.92 1hkj s TYR 141 Ca 0.16 -0.35 -0.29 0.00 -0.37 0.00 0.00 57.07 56.22 1hkj s TYR 141 Cb -0.23 -0.02 -0.04 0.00 -0.40 0.00 0.00 41.96 41.26 1hkj s TYR 141 CO -0.02 -0.48 1.87 -2.14 -1.57 0.00 0.00 175.55 173.21 1hkj s PRO 142 N -3.00 3.64 0.00 -1.71 0.02 -1.26 -2.33 135.00 130.36 1hkj s PRO 142 Ca -0.02 1.94 0.00 0.00 0.02 0.00 0.00 61.00 62.94 1hkj s PRO 142 Cb 0.01 -4.17 0.00 0.00 0.02 0.00 0.00 34.50 30.36 1hkj s PRO 142 CO -0.06 -1.50 0.00 0.41 -0.33 0.00 0.00 177.00 175.51 1hkj n GLY 143 N 5.01 0.89 2.62 0.52 0.00 -1.26 -2.67 105.19 110.30 1hkj n GLY 143 Ca 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 1hkj n GLY 143 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1hkj n SER 144 N 0.00 -1.27 -2.69 1.61 7.64 -0.99 -4.69 113.62 113.23 1hkj n SER 144 Ca 0.00 -2.33 -0.15 0.00 1.01 0.00 0.00 58.87 57.40 1hkj n SER 144 Cb 0.00 2.25 -0.00 0.00 -1.01 0.00 0.00 64.21 65.45 1hkj n SER 144 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hkj n GLN 145 N -0.42 -2.65 0.00 1.43 1.13 -1.26 -0.54 117.38 115.07 1hkj n GLN 145 Ca -0.02 0.55 0.00 0.00 -1.94 0.00 0.00 57.00 55.59 1hkj n GLN 145 Cb 0.44 -5.18 0.00 0.00 0.11 0.00 0.00 30.24 25.61 1hkj n GLN 145 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1hkj n GLY 146 N -0.91 1.06 3.57 1.08 0.00 -1.26 -4.55 105.19 104.18 1hkj n GLY 146 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1hkj n GLY 146 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hkj s SER 147 N -2.00 5.43 0.33 1.61 0.15 0.30 -4.86 113.70 114.66 1hkj s SER 147 Ca 0.00 -0.02 -0.29 0.00 0.70 0.00 0.00 55.95 56.35 1hkj s SER 147 Cb 0.00 -1.94 -0.10 0.00 -1.71 0.00 0.00 66.02 62.27 1hkj s SER 147 CO 0.00 0.11 1.28 -2.84 1.20 0.00 0.00 173.24 173.00 1hkj s PRO 148 N 0.74 4.38 0.09 5.44 0.02 -1.26 -3.27 135.00 141.12 1hkj s PRO 148 Ca 0.03 2.17 0.04 0.00 0.02 0.00 0.00 61.00 63.26 1hkj s PRO 148 Cb -0.13 -3.07 0.23 0.00 0.02 0.00 0.00 34.50 31.54 1hkj s PRO 148 CO 0.02 -0.15 1.02 0.00 -0.33 0.00 0.00 177.00 177.55 1hkj n ALA 149 N 0.82 0.75 0.23 -1.55 0.00 -1.26 0.13 120.51 119.62 1hkj n ALA 149 Ca -0.00 0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.59 1hkj n ALA 149 Cb 0.42 -0.80 0.47 0.00 0.00 0.00 0.00 19.45 19.54 1hkj n ALA 149 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1hkj h VAL 150 N 0.00 0.48 0.00 0.00 3.04 -1.91 -2.52 116.25 115.33 1hkj h VAL 150 Ca 0.00 -1.06 0.00 0.00 -1.01 0.00 0.00 66.70 64.63 1hkj h VAL 150 Cb 0.30 1.75 0.00 0.00 -2.01 0.00 0.00 31.29 31.33 1hkj h VAL 150 CO 0.00 0.19 0.00 0.47 -1.01 0.00 0.00 177.57 177.22 1hkj n ASP 151 N -3.34 0.00 -0.03 3.17 8.00 0.34 -2.50 116.55 122.18 1hkj n ASP 151 Ca 0.00 -0.01 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 1hkj n ASP 151 Cb 0.42 -0.26 -0.08 0.00 -0.02 0.00 0.00 41.12 41.18 1hkj n ASP 151 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1hkj h LYS 152 N 0.00 0.17 0.00 -1.24 3.64 -1.60 -2.71 116.57 114.83 1hkj h LYS 152 Ca 0.00 -0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 59.17 1hkj h LYS 152 Cb 0.15 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1hkj h LYS 152 CO 0.00 0.56 -0.77 0.93 -2.27 0.00 0.00 179.45 177.90 1hkj h GLU 153 N -0.22 0.00 0.00 1.90 3.07 -1.69 -3.19 114.58 114.44 1hkj h GLU 153 Ca 0.02 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.85 1hkj h GLU 153 Cb 0.51 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1hkj h GLU 153 CO 0.01 0.49 -0.14 0.00 -1.40 0.00 0.00 179.01 177.97 1hkj h ARG 154 N 0.00 0.00 0.04 2.33 3.08 -1.54 -2.27 114.38 116.03 1hkj h ARG 154 Ca -0.04 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1hkj h ARG 154 Cb 1.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.51 1hkj h ARG 154 CO 0.07 0.14 -0.02 0.35 -1.07 0.00 0.00 179.97 179.43 1hkj h PHE 155 N 0.00 -0.06 -0.29 3.04 3.57 -1.47 -1.71 116.94 120.03 1hkj h PHE 155 Ca -0.00 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 1hkj h PHE 155 Cb 0.61 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 1hkj h PHE 155 CO 0.00 0.46 0.26 1.15 -2.23 0.00 0.00 178.31 177.95 1hkj h THR 156 N -0.61 0.58 0.01 4.41 2.02 -1.51 0.17 112.91 117.98 1hkj h THR 156 Ca -0.01 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 1hkj h THR 156 Cb 0.54 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1hkj h THR 156 CO 0.01 0.00 -0.14 0.74 0.37 0.00 0.00 175.52 176.50 1hkj h THR 157 N 0.00 1.64 -0.96 3.16 2.02 -1.25 -1.70 112.91 115.83 1hkj h THR 157 Ca 0.14 -2.07 0.11 0.00 0.77 0.00 0.00 66.41 65.36 1hkj h THR 157 Cb 0.66 3.01 -0.08 0.00 -1.74 0.00 0.00 68.15 70.01 1hkj h THR 157 CO -0.00 0.55 0.61 0.25 0.37 0.00 0.00 175.52 177.30 1hkj h LEU 158 N -0.72 0.86 0.45 2.58 5.85 -0.25 0.55 115.31 124.63 1hkj h LEU 158 Ca -0.02 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1hkj h LEU 158 Cb 0.98 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1hkj h LEU 158 CO 0.03 0.48 -0.21 0.58 -0.34 0.00 0.00 178.44 178.97 1hkj h VAL 159 N 0.94 0.36 -0.96 1.05 2.07 -0.75 -1.71 116.25 117.25 1hkj h VAL 159 Ca 0.46 -0.55 0.14 0.00 0.82 0.00 0.00 66.70 67.58 1hkj h VAL 159 Cb 0.47 0.53 -0.08 0.00 -1.52 0.00 0.00 31.29 30.70 1hkj h VAL 159 CO -0.22 0.07 0.61 1.56 0.02 0.00 0.00 177.57 179.60 1hkj h GLN 160 N -1.00 0.81 -0.12 1.57 4.20 -0.70 0.14 115.11 120.02 1hkj h GLN 160 Ca -0.06 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 1hkj h GLN 160 Cb 0.57 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1hkj h GLN 160 CO 0.10 0.54 0.06 -0.44 -0.67 0.00 0.00 178.83 178.42 1hkj h ASP 161 N 0.84 0.15 -0.11 1.46 3.32 0.13 -0.00 116.42 122.20 1hkj h ASP 161 Ca 0.50 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.44 1hkj h ASP 161 Cb 0.66 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 1hkj h ASP 161 CO -0.26 0.20 0.05 -0.07 -1.72 0.00 0.00 179.24 177.44 1hkj h LEU 162 N 0.09 0.15 -0.14 1.55 3.38 -0.49 -0.59 115.31 119.24 1hkj h LEU 162 Ca 0.04 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 57.94 1hkj h LEU 162 Cb 0.09 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 1hkj h LEU 162 CO -0.01 0.23 -0.26 0.00 0.09 0.00 0.00 178.44 178.49 1hkj h ALA 163 N 0.93 -0.24 -0.00 1.53 0.00 -0.88 0.20 119.26 120.79 1hkj h ALA 163 Ca 0.04 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1hkj h ALA 163 Cb 0.12 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1hkj h ALA 163 CO -0.00 -0.72 -0.03 -0.91 0.00 0.00 0.00 179.25 177.59 1hkj h ASN 164 N -0.32 -0.09 0.10 0.00 -0.26 -0.80 -0.74 115.58 113.48 1hkj h ASN 164 Ca 0.10 0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.83 1hkj h ASN 164 Cb 0.48 0.04 -0.00 0.00 -1.06 0.00 0.00 38.32 37.77 1hkj h ASN 164 CO -0.33 -0.05 -0.11 0.00 -1.06 0.00 0.00 177.43 175.89 1hkj h ALA 165 N 0.95 1.80 -0.16 -0.83 0.00 -0.88 -0.84 119.26 119.30 1hkj h ALA 165 Ca 0.01 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1hkj h ALA 165 Cb 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1hkj h ALA 165 CO -0.03 0.15 -0.14 0.74 0.00 0.00 0.00 179.25 179.97 1hkj h PHE 166 N 0.02 0.44 -0.33 0.00 -1.00 -0.44 0.09 116.94 115.72 1hkj h PHE 166 Ca 0.00 -0.13 -0.07 0.00 2.81 0.00 0.00 57.97 60.59 1hkj h PHE 166 Cb 0.20 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.65 1hkj h PHE 166 CO 0.00 0.75 -0.07 0.37 -1.61 0.00 0.00 178.31 177.75 1hkj h GLN 167 N 0.01 0.55 -0.03 1.51 4.15 -0.63 -1.18 115.11 119.48 1hkj h GLN 167 Ca 0.03 -0.14 -0.17 0.00 0.77 0.00 0.00 58.65 59.13 1hkj h GLN 167 Cb 0.67 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 28.31 1hkj h GLN 167 CO 0.04 0.63 -0.66 1.96 -1.93 0.00 0.00 178.83 178.87 1hkj h GLN 168 N 0.51 0.50 0.06 1.69 1.08 -1.12 -3.15 115.11 114.68 1hkj h GLN 168 Ca 0.10 -0.50 0.01 0.00 -1.45 0.00 0.00 58.65 56.81 1hkj h GLN 168 Cb 0.44 0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.98 1hkj h GLN 168 CO 0.02 1.14 -0.13 1.49 -0.95 0.00 0.00 178.83 180.40 1hkj h GLU 169 N 0.06 -0.24 -0.93 1.46 4.22 -0.80 -1.81 114.58 116.55 1hkj h GLU 169 Ca -0.07 0.02 0.22 0.00 0.08 0.00 0.00 59.36 59.61 1hkj h GLU 169 Cb 1.34 0.05 -0.12 0.00 0.50 0.00 0.00 28.75 30.52 1hkj h GLU 169 CO 0.13 -0.16 0.46 0.00 -2.18 0.00 0.00 179.01 177.26 1hkj h ALA 170 N 0.66 1.53 -0.04 2.92 0.00 -1.29 0.34 119.26 123.38 1hkj h ALA 170 Ca 0.03 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1hkj h ALA 170 Cb 0.28 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1hkj h ALA 170 CO -0.09 -0.30 -0.08 1.96 0.00 0.00 0.00 179.25 180.74 1hkj h GLN 171 N 0.47 0.12 -0.43 0.00 4.20 -1.41 -0.62 115.11 117.44 1hkj h GLN 171 Ca 0.58 -0.08 -0.12 0.00 0.06 0.00 0.00 58.65 59.08 1hkj h GLN 171 Cb 1.09 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 1hkj h GLN 171 CO -0.50 0.67 -0.22 1.79 -0.67 0.00 0.00 178.83 179.89 1hkj h THR 172 N -0.40 1.27 0.00 -0.54 1.35 -0.47 -3.15 112.91 110.97 1hkj h THR 172 Ca 0.00 -1.37 -0.01 0.00 -0.55 0.00 0.00 66.41 64.49 1hkj h THR 172 Cb 0.66 1.18 -0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1hkj h THR 172 CO 0.02 0.46 -0.37 0.77 -0.25 0.00 0.00 175.52 176.16 1hkj h SER 173 N 0.76 0.00 -0.71 5.36 4.64 -0.46 -3.48 113.55 119.66 1hkj h SER 173 Ca 0.10 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.24 1hkj h SER 173 Cb 0.77 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.81 1hkj h SER 173 CO 0.06 0.02 -0.19 0.61 -0.87 0.00 0.00 176.83 176.47 1hkj n GLY 174 N 1.13 0.73 3.87 -0.77 0.00 -0.25 -5.03 105.19 104.87 1hkj n GLY 174 Ca 0.02 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 1hkj n GLY 174 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hkj s LYS 175 N -3.32 2.39 0.06 1.61 1.02 -1.17 -5.05 119.74 115.28 1hkj s LYS 175 Ca 0.00 -1.74 -0.31 0.00 0.02 0.00 0.00 55.97 53.94 1hkj s LYS 175 Cb 0.00 -2.25 -0.08 0.00 -0.52 0.00 0.00 37.83 34.99 1hkj s LYS 175 CO 0.00 -0.36 1.56 -2.00 -0.92 0.00 0.00 175.35 173.63 1hkj s GLU 176 N -4.18 4.23 -0.14 1.68 2.56 -1.26 -4.71 118.70 116.87 1hkj s GLU 176 Ca 0.43 2.21 -0.39 0.00 0.00 0.00 0.00 54.97 57.22 1hkj s GLU 176 Cb -0.02 -3.55 -0.16 0.00 2.00 0.00 0.00 34.13 32.40 1hkj s GLU 176 CO 0.26 -0.67 1.58 -2.13 -0.56 0.00 0.00 175.26 173.74 1hkj n ARG 177 N 5.36 1.12 -1.60 4.30 0.63 -1.26 -4.87 116.66 120.34 1hkj n ARG 177 Ca 0.15 0.41 -0.44 0.00 -0.92 0.00 0.00 57.85 57.05 1hkj n ARG 177 Cb 0.41 -2.07 -0.01 0.00 0.45 0.00 0.00 32.46 31.24 1hkj n ARG 177 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1hkj n LEU 178 N 4.25 2.04 -4.87 6.15 4.32 -1.26 -4.95 117.00 122.68 1hkj n LEU 178 Ca 0.23 1.16 -0.33 0.00 -0.02 0.00 0.00 56.01 57.06 1hkj n LEU 178 Cb 0.15 -1.31 -0.05 0.00 -1.62 0.00 0.00 43.42 40.58 1hkj n LEU 178 CO 0.74 -1.33 0.20 -0.76 -1.22 0.00 0.00 177.39 175.01 1hkj s LEU 179 N 0.21 4.23 -0.11 2.23 1.43 0.54 -4.89 118.68 122.32 1hkj s LEU 179 Ca 0.59 0.92 0.01 0.00 -1.03 0.00 0.00 54.13 54.63 1hkj s LEU 179 Cb -0.67 -3.50 0.02 0.00 0.03 0.00 0.00 46.19 42.07 1hkj s LEU 179 CO 0.60 -0.00 -0.14 -0.22 0.23 0.00 0.00 176.35 176.81 1hkj s LEU 180 N -2.52 1.68 0.15 1.79 2.96 -1.26 -0.40 118.68 121.07 1hkj s LEU 180 Ca 0.43 -0.42 -0.02 0.00 -0.22 0.00 0.00 54.13 53.90 1hkj s LEU 180 Cb -0.12 -1.07 -0.03 0.00 0.50 0.00 0.00 46.19 45.46 1hkj s LEU 180 CO 0.21 -0.00 0.11 -0.94 -1.32 0.00 0.00 176.35 174.41 1hkj s SER 181 N 1.08 0.23 -0.07 3.68 1.04 -0.43 0.62 113.70 119.85 1hkj s SER 181 Ca -0.05 -1.19 -0.07 0.00 0.48 0.00 0.00 55.95 55.12 1hkj s SER 181 Cb -0.15 0.34 0.02 0.00 0.10 0.00 0.00 66.02 66.33 1hkj s SER 181 CO -0.03 -0.78 0.21 0.00 0.98 0.00 0.00 173.24 173.62 1hkj s ALA 182 N -4.06 -0.51 -0.03 5.32 0.00 -1.24 0.31 121.76 121.55 1hkj s ALA 182 Ca 0.26 0.53 -0.23 0.00 0.00 0.00 0.00 51.96 52.52 1hkj s ALA 182 Cb 0.07 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1hkj s ALA 182 CO 0.04 -0.11 0.69 0.00 0.00 0.00 0.00 175.76 176.38 1hkj s ALA 183 N -0.02 3.37 0.11 0.00 0.00 0.63 -1.24 121.76 124.61 1hkj s ALA 183 Ca -0.01 0.14 0.08 0.00 0.00 0.00 0.00 51.96 52.17 1hkj s ALA 183 Cb -0.02 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 1hkj s ALA 183 CO 0.00 -0.02 -0.19 0.14 0.00 0.00 0.00 175.76 175.69 1hkj s VAL 184 N 0.45 1.64 0.60 0.00 -7.23 -0.13 -4.70 120.40 111.02 1hkj s VAL 184 Ca 0.36 -1.60 -0.15 0.00 -1.81 0.00 0.00 61.98 58.79 1hkj s VAL 184 Cb -0.18 -1.55 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 1hkj s VAL 184 CO 0.19 -0.15 1.05 -2.16 -0.31 0.00 0.00 175.10 173.72 1hkj s PRO 185 N -2.10 3.37 -0.12 4.82 0.04 -1.26 -0.64 135.00 139.11 1hkj s PRO 185 Ca 0.07 1.12 -0.13 0.00 0.04 0.00 0.00 61.00 62.10 1hkj s PRO 185 Cb -0.09 -2.04 -0.26 0.00 0.04 0.00 0.00 34.50 32.14 1hkj s PRO 185 CO 0.04 -0.76 0.46 0.00 0.04 0.00 0.00 177.00 176.78 1hkj h ALA 186 N 0.33 0.27 -1.40 8.56 0.00 -1.93 -3.45 119.26 121.64 1hkj h ALA 186 Ca -0.46 -1.22 -0.76 0.00 0.00 0.00 0.00 54.91 52.47 1hkj h ALA 186 Cb 1.21 0.59 0.02 0.00 0.00 0.00 0.00 17.79 19.62 1hkj h ALA 186 CO 0.58 1.00 0.70 0.41 0.00 0.00 0.00 179.25 181.95 1hkj n GLY 187 N 1.80 0.55 0.33 0.00 0.00 -1.26 -4.75 105.19 101.86 1hkj n GLY 187 Ca -0.28 0.89 0.17 0.00 0.00 0.00 0.00 46.02 46.80 1hkj n GLY 187 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1hkj h GLN 188 N 5.90 0.47 -0.28 1.61 5.75 -1.96 -1.47 115.11 125.14 1hkj h GLN 188 Ca -0.47 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.01 1hkj h GLN 188 Cb 1.34 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.77 1hkj h GLN 188 CO 0.91 0.31 0.18 1.15 -2.65 0.00 0.00 178.83 178.73 1hkj h THR 189 N 0.49 1.08 -0.30 2.39 2.02 -2.00 -2.18 112.91 114.40 1hkj h THR 189 Ca 0.62 -0.15 -0.14 0.00 0.77 0.00 0.00 66.41 67.51 1hkj h THR 189 Cb 1.21 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 1hkj h THR 189 CO -0.51 0.07 -0.37 1.88 0.37 0.00 0.00 175.52 176.97 1hkj h TYR 190 N 0.37 0.83 -0.17 3.16 0.05 -1.67 -1.72 116.97 117.81 1hkj h TYR 190 Ca 0.10 -0.23 -0.01 0.00 0.05 0.00 0.00 58.73 58.64 1hkj h TYR 190 Cb -0.03 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.52 1hkj h TYR 190 CO -0.06 0.96 0.08 0.28 -1.05 0.00 0.00 178.16 178.38 1hkj h VAL 191 N 0.58 1.13 -0.59 -2.88 2.07 -1.25 -2.58 116.25 112.74 1hkj h VAL 191 Ca 0.05 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 1hkj h VAL 191 Cb 0.90 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 1hkj h VAL 191 CO 0.08 0.13 0.23 0.44 0.02 0.00 0.00 177.57 178.46 1hkj h ASP 192 N 0.14 0.82 -0.91 0.57 3.32 -1.36 -0.46 116.42 118.55 1hkj h ASP 192 Ca 0.06 -0.18 0.04 0.00 0.02 0.00 0.00 57.03 56.97 1hkj h ASP 192 Cb 0.13 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.41 1hkj h ASP 192 CO -0.01 0.78 0.60 0.00 -1.72 0.00 0.00 179.24 178.89 1hkj h ALA 193 N 1.08 1.44 0.00 3.45 0.00 -1.12 -3.39 119.26 120.72 1hkj h ALA 193 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1hkj h ALA 193 Cb 0.22 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1hkj h ALA 193 CO -0.01 0.46 -0.04 0.41 0.00 0.00 0.00 179.25 180.06 1hkj n GLY 194 N -1.39 -2.07 3.18 0.00 0.00 -0.99 -4.48 105.19 99.44 1hkj n GLY 194 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1hkj n GLY 194 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hkj s TYR 195 N 0.00 2.74 -1.23 1.61 1.51 -0.19 -4.43 117.35 117.37 1hkj s TYR 195 Ca 0.00 -1.36 -0.09 0.00 -1.01 0.00 0.00 57.07 54.61 1hkj s TYR 195 Cb 0.00 -1.88 0.20 0.00 -0.11 0.00 0.00 41.96 40.17 1hkj s TYR 195 CO 0.00 -0.65 1.71 0.39 -1.11 0.00 0.00 175.55 175.90 1hkj n GLU 196 N 4.28 3.76 -0.30 -0.62 1.02 -1.26 -4.75 120.64 122.76 1hkj n GLU 196 Ca -0.20 -3.80 -0.08 0.00 -0.02 0.00 0.00 57.16 53.06 1hkj n GLU 196 Cb 0.51 -2.85 -0.07 0.00 -0.02 0.00 0.00 31.44 29.01 1hkj n GLU 196 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1hkj n VAL 197 N 3.08 -0.49 -0.24 2.62 0.31 -1.26 -1.07 118.33 121.27 1hkj n VAL 197 Ca 0.36 1.90 0.01 0.00 -0.01 0.00 0.00 64.34 66.60 1hkj n VAL 197 Cb 0.37 -2.36 0.13 0.00 -0.91 0.00 0.00 33.84 31.06 1hkj n VAL 197 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1hkj h ASP 198 N 0.00 0.46 0.98 4.52 3.58 -1.79 -1.15 116.42 123.02 1hkj h ASP 198 Ca 0.12 0.06 -0.16 0.00 0.42 0.00 0.00 57.03 57.47 1hkj h ASP 198 Cb 0.30 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 1hkj h ASP 198 CO -0.68 0.27 -0.75 0.11 -2.88 0.00 0.00 179.24 175.31 1hkj h LYS 199 N 0.60 0.00 0.14 0.28 1.57 -1.46 -3.28 116.57 114.42 1hkj h LYS 199 Ca 0.34 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.82 1hkj h LYS 199 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1hkj h LYS 199 CO -0.26 0.75 -1.44 -0.84 -0.57 0.00 0.00 179.45 177.08 1hkj h ILE 200 N 0.00 1.27 -0.26 1.86 3.07 -0.92 -3.28 117.51 119.25 1hkj h ILE 200 Ca -0.01 -2.86 0.08 0.00 1.55 0.00 0.00 64.86 63.62 1hkj h ILE 200 Cb 1.44 2.85 -0.01 0.00 -0.27 0.00 0.00 36.82 40.83 1hkj h ILE 200 CO 0.10 0.84 0.29 0.00 -1.05 0.00 0.00 178.15 178.33 1hkj h ALA 201 N 0.46 1.91 0.00 0.16 0.00 -1.28 0.25 119.26 120.77 1hkj h ALA 201 Ca -0.21 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1hkj h ALA 201 Cb 2.02 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.83 1hkj h ALA 201 CO 0.19 -0.43 -0.16 1.96 0.00 0.00 0.00 179.25 180.81 1hkj h GLN 202 N 0.00 0.00 0.00 0.00 4.20 -1.62 -3.28 115.11 114.41 1hkj h GLN 202 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1hkj h GLN 202 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1hkj h GLN 202 CO -0.00 0.16 -0.79 0.09 -0.67 0.00 0.00 178.83 177.62 1hkj n ASN 203 N -3.19 0.88 -4.74 1.46 3.02 0.69 -4.93 115.26 108.45 1hkj n ASN 203 Ca 0.02 -0.64 -0.39 0.00 -0.03 0.00 0.00 54.58 53.54 1hkj n ASN 203 Cb 0.51 1.12 -0.05 0.00 -0.61 0.00 0.00 39.78 40.74 1hkj n ASN 203 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1hkj s LEU 204 N -2.86 4.33 0.38 3.41 1.43 -0.04 -4.81 118.68 120.53 1hkj s LEU 204 Ca 0.03 1.02 0.14 0.00 -1.03 0.00 0.00 54.13 54.28 1hkj s LEU 204 Cb 0.09 -2.86 0.76 0.00 0.03 0.00 0.00 46.19 44.21 1hkj s LEU 204 CO 0.52 0.01 1.84 0.44 0.23 0.00 0.00 176.35 179.39 1hkj h ASP 205 N 6.37 0.00 -4.61 2.29 3.32 -0.13 -3.45 116.42 120.20 1hkj h ASP 205 Ca -0.42 0.00 0.09 0.00 0.02 0.00 0.00 57.03 56.72 1hkj h ASP 205 Cb 1.19 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.58 1hkj h ASP 205 CO 0.73 0.35 0.47 0.72 -1.72 0.00 0.00 179.24 179.80 1hkj s PHE 206 N -4.19 -0.37 -0.16 4.55 -0.71 -1.24 -4.85 117.98 111.00 1hkj s PHE 206 Ca -0.03 0.30 0.00 0.00 -1.04 0.00 0.00 56.93 56.17 1hkj s PHE 206 Cb 0.14 0.52 0.00 0.00 -1.21 0.00 0.00 43.02 42.48 1hkj s PHE 206 CO 0.72 -0.54 -0.16 0.08 -1.34 0.00 0.00 175.22 173.98 1hkj s VAL 207 N -2.84 2.60 -0.61 -2.49 1.01 0.14 -3.62 120.40 114.58 1hkj s VAL 207 Ca 0.03 -0.79 -0.20 0.00 0.00 0.00 0.00 61.98 61.03 1hkj s VAL 207 Cb -0.01 -2.10 0.10 0.00 0.00 0.00 0.00 36.38 34.37 1hkj s VAL 207 CO -0.07 0.51 0.77 0.20 0.00 0.00 0.00 175.10 176.51 1hkj s ASN 208 N 0.89 6.19 -0.00 3.32 0.01 -0.37 -0.69 114.94 124.28 1hkj s ASN 208 Ca -0.04 -1.35 -0.30 0.00 -0.71 0.00 0.00 52.86 50.46 1hkj s ASN 208 Cb -0.15 -2.33 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 1hkj s ASN 208 CO -0.02 -1.19 1.09 -0.22 -1.51 0.00 0.00 177.10 175.26 1hkj s LEU 209 N 2.99 4.34 -1.18 0.60 2.96 -0.53 -0.96 118.68 126.90 1hkj s LEU 209 Ca 0.14 1.79 -0.10 0.00 -0.22 0.00 0.00 54.13 55.74 1hkj s LEU 209 Cb -0.22 -3.57 0.22 0.00 0.50 0.00 0.00 46.19 43.12 1hkj s LEU 209 CO 0.07 -0.40 1.48 0.23 -1.32 0.00 0.00 176.35 176.40 1hkj n MET 210 N 4.24 3.70 -2.28 1.98 2.81 0.18 -1.59 117.12 126.17 1hkj n MET 210 Ca 0.08 -4.06 -0.43 0.00 -1.81 0.00 0.00 57.70 51.48 1hkj n MET 210 Cb 0.48 -2.79 0.00 0.00 -0.71 0.00 0.00 33.22 30.21 1hkj n MET 210 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1hkj n ALA 211 N 3.62 4.89 -3.86 3.04 0.00 -1.26 -4.09 120.51 122.84 1hkj n ALA 211 Ca 0.32 -4.09 -0.04 0.00 0.00 0.00 0.00 53.44 49.64 1hkj n ALA 211 Cb 0.38 -3.28 0.02 0.00 0.00 0.00 0.00 19.45 16.57 1hkj n ALA 211 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1hkj s TYR 212 N 2.12 0.07 -1.41 0.00 -0.85 -1.26 -4.75 117.35 111.27 1hkj s TYR 212 Ca 0.45 -0.51 0.00 0.00 -0.52 0.00 0.00 57.07 56.49 1hkj s TYR 212 Cb 0.08 0.72 0.00 0.00 0.38 0.00 0.00 41.96 43.14 1hkj s TYR 212 CO -0.01 -1.02 0.00 -0.25 -1.52 0.00 0.00 175.55 172.74 1hkj n ASP 213 N -1.21 -4.59 0.24 -0.18 8.00 0.31 -4.85 116.55 114.27 1hkj n ASP 213 Ca -0.04 0.30 0.08 0.00 0.71 0.00 0.00 54.79 55.85 1hkj n ASP 213 Cb 0.60 -3.32 0.60 0.00 -0.02 0.00 0.00 41.12 38.98 1hkj n ASP 213 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1hkj h PHE 214 N 0.00 0.00 -3.45 1.24 0.04 -1.50 -3.42 116.94 109.84 1hkj h PHE 214 Ca -0.28 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.31 1hkj h PHE 214 Cb 0.91 0.00 -0.24 0.00 2.20 0.00 0.00 35.95 38.82 1hkj h PHE 214 CO 0.38 0.15 -0.54 -1.01 -0.60 0.00 0.00 178.31 176.69 1hkj s HIS 215 N -4.48 -0.07 0.25 -0.55 3.76 -1.14 -4.98 115.29 108.08 1hkj s HIS 215 Ca -0.04 0.18 -0.08 0.00 -0.15 0.00 0.00 55.06 54.97 1hkj s HIS 215 Cb 0.15 0.01 0.03 0.00 1.11 0.00 0.00 32.58 33.88 1hkj s HIS 215 CO 0.65 -0.15 0.48 0.41 -0.85 0.00 0.00 174.74 175.28 1hkj n GLY 216 N 2.45 1.53 0.00 -2.22 0.00 -1.26 -3.89 105.19 101.79 1hkj n GLY 216 Ca -0.16 -1.23 0.05 0.00 0.00 0.00 0.00 46.02 44.68 1hkj n GLY 216 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hkj n SER 217 N -1.42 0.00 0.04 1.61 3.41 -1.26 -1.95 113.62 114.05 1hkj n SER 217 Ca -0.05 -0.55 -0.21 0.00 -0.26 0.00 0.00 58.87 57.80 1hkj n SER 217 Cb 0.38 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.19 1hkj n SER 217 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 1hkj h TRP 218 N 0.00 0.54 -4.02 7.33 0.09 -1.95 -3.37 115.95 114.57 1hkj h TRP 218 Ca 0.00 -0.39 -0.50 0.00 0.09 0.00 0.00 58.89 58.09 1hkj h TRP 218 Cb 0.00 -0.02 0.20 0.00 0.08 0.00 0.00 29.16 29.42 1hkj h TRP 218 CO 0.00 1.47 0.15 0.39 0.09 0.00 0.00 178.44 180.54 1hkj n GLU 219 N -3.97 -0.92 -0.06 0.12 1.02 -0.82 -4.93 120.64 111.09 1hkj n GLU 219 Ca -0.20 -0.21 0.12 0.00 -0.02 0.00 0.00 57.16 56.85 1hkj n GLU 219 Cb 0.90 -2.32 0.27 0.00 -0.02 0.00 0.00 31.44 30.26 1hkj n GLU 219 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1hkj n LYS 220 N -4.38 2.12 -4.50 3.49 0.00 -1.26 -4.90 118.16 108.74 1hkj n LYS 220 Ca 0.10 -1.66 -0.21 0.00 -0.00 0.00 0.00 58.31 56.54 1hkj n LYS 220 Cb 0.52 -1.47 -0.15 0.00 -0.00 0.00 0.00 35.03 33.94 1hkj n LYS 220 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1hkj s VAL 221 N -1.84 0.91 0.07 0.58 1.01 -1.26 -1.37 120.40 118.50 1hkj s VAL 221 Ca 0.34 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.54 1hkj s VAL 221 Cb 0.20 -0.77 -0.09 0.00 0.00 0.00 0.00 36.38 35.72 1hkj s VAL 221 CO 0.31 0.26 1.83 0.42 0.00 0.00 0.00 175.10 177.92 1hkj s THR 222 N -0.16 2.89 0.22 3.92 -4.23 -0.55 -4.88 115.64 112.85 1hkj s THR 222 Ca 0.02 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.71 1hkj s THR 222 Cb -0.06 -3.11 -0.05 0.00 1.34 0.00 0.00 72.50 70.62 1hkj s THR 222 CO -0.00 -0.01 0.10 -0.83 -0.54 0.00 0.00 174.62 173.34 1hkj s GLY 223 N 3.34 1.53 0.02 3.99 0.00 -1.26 -1.78 107.32 113.16 1hkj s GLY 223 Ca 0.82 -1.76 -0.14 0.00 0.00 0.00 0.00 44.72 43.64 1hkj s GLY 223 CO 0.37 -1.49 0.41 -1.58 0.00 0.00 0.00 173.10 170.80 1hkj s HIS 224 N -3.94 3.70 0.17 1.90 2.46 -1.26 -4.65 115.29 113.67 1hkj s HIS 224 Ca 0.37 0.95 -0.13 0.00 0.47 0.00 0.00 55.06 56.72 1hkj s HIS 224 Cb 0.07 -2.26 0.07 0.00 -0.13 0.00 0.00 32.58 30.34 1hkj s HIS 224 CO 0.12 0.62 1.78 -0.97 -2.47 0.00 0.00 174.74 173.82 1hkj h ASN 225 N 4.49 0.71 -1.78 9.88 -1.24 -1.79 -3.02 115.58 122.83 1hkj h ASN 225 Ca -0.51 -0.09 -0.50 0.00 0.71 0.00 0.00 56.30 55.90 1hkj h ASN 225 Cb 1.21 -0.18 -0.36 0.00 0.73 0.00 0.00 38.32 39.72 1hkj h ASN 225 CO 0.62 0.60 -1.06 -0.24 -1.29 0.00 0.00 177.43 176.06 1hkj n SER 226 N -4.60 -0.01 -4.74 1.15 2.88 -1.26 -0.53 113.62 106.51 1hkj n SER 226 Ca 0.03 -2.84 -0.41 0.00 -1.33 0.00 0.00 58.87 54.32 1hkj n SER 226 Cb 0.09 -0.36 -0.04 0.00 -0.75 0.00 0.00 64.21 63.15 1hkj n SER 226 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1hkj s PRO 227 N -1.27 4.60 0.12 -1.46 0.04 -1.26 -4.87 135.00 130.90 1hkj s PRO 227 Ca 0.36 1.72 -0.11 0.00 0.04 0.00 0.00 61.00 63.01 1hkj s PRO 227 Cb 0.22 -3.27 -0.09 0.00 0.04 0.00 0.00 34.50 31.39 1hkj s PRO 227 CO -0.11 0.09 1.37 1.25 0.04 0.00 0.00 177.00 179.63 1hkj h LEU 228 N 5.01 0.90 -8.94 -3.56 5.85 -1.73 0.14 115.31 112.99 1hkj h LEU 228 Ca -0.44 -0.55 -0.42 0.00 0.84 0.00 0.00 57.88 57.31 1hkj h LEU 228 Cb 1.21 -0.26 -0.14 0.00 0.37 0.00 0.00 40.66 41.84 1hkj h LEU 228 CO 0.72 1.34 -0.69 -0.31 -0.34 0.00 0.00 178.44 179.16 1hkj s TYR 229 N -3.89 1.68 0.69 1.25 2.02 -1.25 -2.25 117.35 115.59 1hkj s TYR 229 Ca -0.10 -0.76 -0.11 0.00 -0.37 0.00 0.00 57.07 55.73 1hkj s TYR 229 Cb 0.09 -0.92 0.01 0.00 -0.40 0.00 0.00 41.96 40.74 1hkj s TYR 229 CO 0.89 0.16 1.08 -1.59 -1.57 0.00 0.00 175.55 174.52 1hkj s LYS 230 N -3.76 2.97 0.29 -0.62 -2.85 -1.26 -4.15 119.74 110.36 1hkj s LYS 230 Ca 0.26 0.48 -0.08 0.00 -1.00 0.00 0.00 55.97 55.63 1hkj s LYS 230 Cb 0.03 -2.04 -0.06 0.00 -2.06 0.00 0.00 37.83 33.70 1hkj s LYS 230 CO 0.08 -0.95 0.59 1.03 0.10 0.00 0.00 175.35 176.21 1hkj s ARG 231 N -5.31 3.73 0.33 1.78 0.52 -1.26 -4.54 118.95 114.20 1hkj s ARG 231 Ca 0.57 0.20 0.11 0.00 -0.52 0.00 0.00 55.73 56.10 1hkj s ARG 231 Cb -0.11 -2.60 0.96 0.00 0.52 0.00 0.00 34.95 33.72 1hkj s ARG 231 CO 0.52 0.21 1.71 1.96 0.02 0.00 0.00 175.30 179.71 1hkj h GLN 232 N 1.94 0.48 -0.16 3.54 4.20 -1.97 -0.89 115.11 122.26 1hkj h GLN 232 Ca -0.47 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.21 1hkj h GLN 232 Cb 1.18 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.85 1hkj h GLN 232 CO 0.67 0.32 0.00 0.39 -0.67 0.00 0.00 178.83 179.54 1hkj n GLU 233 N -4.93 0.45 -4.64 1.46 4.71 -1.26 -4.76 120.64 111.66 1hkj n GLU 233 Ca 0.28 0.00 -0.33 0.00 -0.01 0.00 0.00 57.16 57.11 1hkj n GLU 233 Cb 0.83 -1.08 -0.16 0.00 -1.01 0.00 0.00 31.44 30.01 1hkj n GLU 233 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 1hkj s GLN 234 N -1.65 3.05 0.05 3.49 -0.21 -0.34 -5.08 119.66 118.97 1hkj s GLN 234 Ca 0.00 -0.84 0.06 0.00 0.02 0.00 0.00 55.36 54.60 1hkj s GLN 234 Cb 0.00 -2.46 -0.02 0.00 1.00 0.00 0.00 33.01 31.52 1hkj s GLN 234 CO 0.00 -0.01 -0.16 -1.54 -2.12 0.00 0.00 175.29 171.46 1hkj s SER 235 N 0.82 1.90 0.00 5.90 1.04 -1.26 -4.53 113.70 117.57 1hkj s SER 235 Ca -0.07 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.84 1hkj s SER 235 Cb -0.15 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.85 1hkj s SER 235 CO -0.02 0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.85 1hkj n GLY 236 N 1.69 -0.13 0.29 7.32 0.00 -1.26 -3.62 105.19 109.48 1hkj n GLY 236 Ca -0.19 -1.24 0.16 0.00 0.00 0.00 0.00 46.02 44.76 1hkj n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hkj h ALA 237 N 0.00 1.22 0.00 4.61 0.00 -2.01 0.10 119.26 123.18 1hkj h ALA 237 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1hkj h ALA 237 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1hkj h ALA 237 CO 0.00 0.06 -0.06 0.00 0.00 0.00 0.00 179.25 179.25 1hkj h ALA 238 N 1.95 1.10 0.33 0.00 0.00 -1.94 -3.07 119.26 117.64 1hkj h ALA 238 Ca -0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1hkj h ALA 238 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1hkj h ALA 238 CO 0.01 0.08 -0.16 0.00 0.00 0.00 0.00 179.25 179.18 1hkj h ALA 239 N 1.94 -0.51 -0.72 0.00 0.00 -0.95 -3.28 119.26 115.72 1hkj h ALA 239 Ca -0.00 -0.10 0.21 0.00 0.00 0.00 0.00 54.91 55.02 1hkj h ALA 239 Cb 0.36 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1hkj h ALA 239 CO 0.01 -0.48 1.06 0.66 0.00 0.00 0.00 179.25 180.49 1hkj h SER 240 N -0.96 0.00 0.00 0.00 4.64 -1.54 -3.30 113.55 112.39 1hkj h SER 240 Ca -0.05 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.19 1hkj h SER 240 Cb 0.34 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1hkj h SER 240 CO 0.08 0.00 0.88 0.18 -0.87 0.00 0.00 176.83 177.10 1hkj n LEU 241 N -3.14 1.45 -3.67 5.97 4.77 -1.23 -4.33 117.00 116.82 1hkj n LEU 241 Ca 0.16 -1.35 -0.10 0.00 -0.03 0.00 0.00 56.01 54.68 1hkj n LEU 241 Cb 1.28 -0.49 -0.05 0.00 -2.33 0.00 0.00 43.42 41.84 1hkj n LEU 241 CO 0.19 -0.26 0.13 0.54 -1.33 0.00 0.00 177.39 176.66 1hkj s ASN 242 N 3.49 -0.19 0.12 -1.43 2.20 -1.24 -4.78 114.94 113.11 1hkj s ASN 242 Ca 0.15 -0.37 -0.33 0.00 -0.94 0.00 0.00 52.86 51.36 1hkj s ASN 242 Cb 0.06 0.46 -0.12 0.00 -2.00 0.00 0.00 41.25 39.65 1hkj s ASN 242 CO -0.01 -0.84 1.56 0.58 -2.94 0.00 0.00 177.10 175.45 1hkj h VAL 243 N 2.41 0.03 -0.53 3.54 2.07 -0.76 -2.75 116.25 120.25 1hkj h VAL 243 Ca -0.34 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.29 1hkj h VAL 243 Cb 1.25 0.03 -0.10 0.00 -1.52 0.00 0.00 31.29 30.94 1hkj h VAL 243 CO 0.48 0.00 -0.20 -0.78 0.02 0.00 0.00 177.57 177.09 1hkj h ASP 244 N -0.60 -0.70 -0.33 0.57 3.58 -1.71 0.39 116.42 117.62 1hkj h ASP 244 Ca 0.03 0.18 0.07 0.00 0.42 0.00 0.00 57.03 57.73 1hkj h ASP 244 Cb 0.69 0.40 -0.06 0.00 1.72 0.00 0.00 39.33 42.08 1hkj h ASP 244 CO -0.40 -0.23 -0.07 0.00 -2.88 0.00 0.00 179.24 175.66 1hkj h ALA 245 N 1.34 0.24 -0.50 -0.78 0.00 -1.75 0.47 119.26 118.28 1hkj h ALA 245 Ca 0.25 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.30 1hkj h ALA 245 Cb 0.46 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1hkj h ALA 245 CO -0.58 -0.45 0.31 0.00 0.00 0.00 0.00 179.25 178.53 1hkj h ALA 246 N 1.32 0.63 0.28 0.00 0.00 -0.82 0.14 119.26 120.82 1hkj h ALA 246 Ca 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1hkj h ALA 246 Cb 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1hkj h ALA 246 CO -0.33 0.03 -0.14 0.28 0.00 0.00 0.00 179.25 179.09 1hkj h VAL 247 N 0.63 0.75 -0.87 0.00 2.07 0.52 -2.48 116.25 116.87 1hkj h VAL 247 Ca 0.19 -0.28 0.13 0.00 0.82 0.00 0.00 66.70 67.56 1hkj h VAL 247 Cb -0.02 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 1hkj h VAL 247 CO -0.07 0.06 0.56 1.56 0.02 0.00 0.00 177.57 179.70 1hkj h GLN 248 N -0.53 0.69 -0.47 1.57 1.08 0.20 -1.19 115.11 116.46 1hkj h GLN 248 Ca -0.04 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.09 1hkj h GLN 248 Cb 0.39 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.65 1hkj h GLN 248 CO 0.06 0.46 0.17 0.37 -0.95 0.00 0.00 178.83 178.94 1hkj h GLN 249 N 0.71 0.72 -0.35 1.46 4.15 -0.50 -0.14 115.11 121.16 1hkj h GLN 249 Ca 0.43 -0.14 -0.15 0.00 0.77 0.00 0.00 58.65 59.55 1hkj h GLN 249 Cb 0.64 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 1hkj h GLN 249 CO -0.19 0.67 -0.39 -1.49 -1.93 0.00 0.00 178.83 175.50 1hkj h TRP 250 N 0.62 1.00 0.70 3.99 4.06 -0.80 -2.63 115.95 122.90 1hkj h TRP 250 Ca 0.15 -0.30 -0.03 0.00 2.06 0.00 0.00 58.89 60.77 1hkj h TRP 250 Cb 0.23 -0.21 0.01 0.00 -1.00 0.00 0.00 29.16 28.19 1hkj h TRP 250 CO 0.01 1.09 -0.34 -0.07 -3.56 0.00 0.00 178.44 175.57 1hkj h LEU 251 N 0.68 -0.80 0.00 -4.49 3.38 -1.26 -1.71 115.31 111.12 1hkj h LEU 251 Ca 0.06 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1hkj h LEU 251 Cb 0.96 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1hkj h LEU 251 CO 0.09 -0.49 0.05 0.00 0.09 0.00 0.00 178.44 178.18 1hkj n GLN 252 N -4.95 0.00 -0.19 1.13 6.02 -0.07 -0.89 117.38 118.42 1hkj n GLN 252 Ca -0.12 0.17 0.06 0.00 -0.01 0.00 0.00 57.00 57.10 1hkj n GLN 252 Cb 0.37 -1.55 0.15 0.00 1.02 0.00 0.00 30.24 30.22 1hkj n GLN 252 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1hkj n LYS 253 N -1.10 2.76 0.00 -1.09 5.02 -0.99 -4.96 118.16 117.79 1hkj n LYS 253 Ca 0.00 -2.18 0.00 0.00 -2.02 0.00 0.00 58.31 54.11 1hkj n LYS 253 Cb 0.05 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1hkj n LYS 253 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hkj n GLY 254 N -0.13 1.10 3.58 0.72 0.00 -0.07 -2.98 105.19 107.41 1hkj n GLY 254 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1hkj n GLY 254 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hkj s THR 255 N -2.00 4.97 0.11 2.61 2.01 -0.66 -4.61 115.64 118.07 1hkj s THR 255 Ca 0.00 0.59 -0.33 0.00 0.31 0.00 0.00 61.69 62.25 1hkj s THR 255 Cb 0.00 -3.98 -0.13 0.00 0.01 0.00 0.00 72.50 68.40 1hkj s THR 255 CO 0.00 -0.18 1.68 -2.65 -0.69 0.00 0.00 174.62 172.78 1hkj n PRO 256 N 5.82 2.28 -0.32 4.92 -0.02 -1.26 -4.41 135.00 142.00 1hkj n PRO 256 Ca -0.03 0.82 0.23 0.00 -2.02 0.00 0.00 63.50 62.50 1hkj n PRO 256 Cb 0.49 -2.63 0.51 0.00 -0.02 0.00 0.00 33.50 31.84 1hkj n PRO 256 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hkj h ALA 257 N 6.99 2.22 0.00 3.55 0.00 -1.92 0.12 119.26 130.22 1hkj h ALA 257 Ca -0.46 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1hkj h ALA 257 Cb 1.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1hkj h ALA 257 CO 0.91 -0.63 0.00 -1.13 0.00 0.00 0.00 179.25 178.40 1hkj n SER 258 N -4.63 0.13 -0.00 0.00 3.41 -1.24 -1.58 113.62 109.71 1hkj n SER 258 Ca 0.25 0.53 0.09 0.00 -0.26 0.00 0.00 58.87 59.49 1hkj n SER 258 Cb 0.88 -0.56 -0.13 0.00 -0.26 0.00 0.00 64.21 64.14 1hkj n SER 258 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1hkj n LYS 259 N -1.64 0.64 -2.97 4.33 5.02 0.40 -3.58 118.16 120.37 1hkj n LYS 259 Ca 0.04 -0.08 -0.43 0.00 -2.02 0.00 0.00 58.31 55.82 1hkj n LYS 259 Cb 0.20 -1.43 -0.05 0.00 -0.02 0.00 0.00 35.03 33.72 1hkj n LYS 259 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1hkj s LEU 260 N -3.56 4.19 -0.27 -0.35 2.96 -0.77 0.25 118.68 121.13 1hkj s LEU 260 Ca 0.01 0.10 -0.12 0.00 -0.22 0.00 0.00 54.13 53.90 1hkj s LEU 260 Cb 0.14 -2.98 -0.05 0.00 0.50 0.00 0.00 46.19 43.80 1hkj s LEU 260 CO 0.80 -0.83 0.23 -0.63 -1.32 0.00 0.00 176.35 174.60 1hkj s ILE 261 N 3.19 5.29 -0.47 6.68 -1.09 0.13 -1.65 121.20 133.27 1hkj s ILE 261 Ca 0.30 0.27 -0.29 0.00 -2.23 0.00 0.00 60.65 58.70 1hkj s ILE 261 Cb -0.13 -3.56 0.02 0.00 -1.58 0.00 0.00 42.46 37.21 1hkj s ILE 261 CO 0.20 0.25 1.23 -0.22 -1.23 0.00 0.00 174.94 175.16 1hkj s LEU 262 N 1.70 3.59 0.33 2.97 2.96 -0.35 -1.45 118.68 128.43 1hkj s LEU 262 Ca 0.09 0.53 -0.27 0.00 -0.22 0.00 0.00 54.13 54.26 1hkj s LEU 262 Cb -0.16 -3.50 -0.09 0.00 0.50 0.00 0.00 46.19 42.94 1hkj s LEU 262 CO 0.10 -1.34 1.04 -0.83 -1.32 0.00 0.00 176.35 173.99 1hkj s GLY 263 N 2.98 2.91 0.04 7.98 0.00 -0.62 -0.74 107.32 119.88 1hkj s GLY 263 Ca 0.51 0.73 0.03 0.00 0.00 0.00 0.00 44.72 45.99 1hkj s GLY 263 CO 0.31 1.24 -0.09 1.06 0.00 0.00 0.00 173.10 175.62 1hkj s MET 264 N -1.89 0.60 -0.13 2.90 -1.94 0.17 -4.13 119.30 114.87 1hkj s MET 264 Ca 0.50 -0.74 -0.07 0.00 -1.71 0.00 0.00 55.69 53.67 1hkj s MET 264 Cb -0.25 -0.45 -0.04 0.00 2.01 0.00 0.00 34.83 36.10 1hkj s MET 264 CO 0.32 0.09 0.11 -1.25 -0.01 0.00 0.00 175.02 174.28 1hkj s PRO 265 N -1.45 3.55 -0.18 2.03 0.04 -1.26 -1.96 135.00 135.76 1hkj s PRO 265 Ca -0.07 -0.22 0.14 0.00 0.04 0.00 0.00 61.00 60.90 1hkj s PRO 265 Cb -0.09 -3.16 0.73 0.00 0.04 0.00 0.00 34.50 32.01 1hkj s PRO 265 CO 0.01 0.63 1.62 0.25 0.04 0.00 0.00 177.00 179.55 1hkj n THR 266 N 2.44 2.28 -4.28 1.26 -2.24 -0.28 -4.64 114.28 108.82 1hkj n THR 266 Ca -0.19 -1.22 -0.15 0.00 -2.27 0.00 0.00 64.05 60.22 1hkj n THR 266 Cb 0.54 -0.19 -0.10 0.00 -2.10 0.00 0.00 70.33 68.48 1hkj n THR 266 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1hkj s TYR 267 N -2.38 1.39 0.24 4.78 1.13 -1.26 -0.94 117.35 120.32 1hkj s TYR 267 Ca 0.49 -0.75 0.04 0.00 -1.41 0.00 0.00 57.07 55.44 1hkj s TYR 267 Cb 0.36 -0.71 -0.05 0.00 -1.10 0.00 0.00 41.96 40.45 1hkj s TYR 267 CO 0.17 0.11 -0.01 0.20 -2.51 0.00 0.00 175.55 173.51 1hkj s GLY 268 N -3.22 1.63 -0.16 5.49 0.00 -0.11 -4.59 107.32 106.36 1hkj s GLY 268 Ca 0.20 -1.80 -0.03 0.00 0.00 0.00 0.00 44.72 43.08 1hkj s GLY 268 CO 0.03 -1.71 -0.06 0.50 0.00 0.00 0.00 173.10 171.86 1hkj s ARG 269 N -3.83 3.56 0.31 2.90 0.52 -0.37 -0.99 118.95 121.04 1hkj s ARG 269 Ca 0.29 -0.58 0.04 0.00 -0.52 0.00 0.00 55.73 54.96 1hkj s ARG 269 Cb 0.05 -2.86 -0.02 0.00 0.52 0.00 0.00 34.95 32.64 1hkj s ARG 269 CO 0.09 0.17 0.46 -1.54 0.02 0.00 0.00 175.30 174.50 1hkj s SER 270 N 0.53 6.14 0.03 0.23 1.04 -1.09 -1.69 113.70 118.90 1hkj s SER 270 Ca -0.05 0.06 -0.05 0.00 0.48 0.00 0.00 55.95 56.39 1hkj s SER 270 Cb -0.15 -1.64 -0.01 0.00 0.10 0.00 0.00 66.02 64.33 1hkj s SER 270 CO 0.03 -0.30 0.10 -0.36 0.98 0.00 0.00 173.24 173.69 1hkj s PHE 271 N -2.16 0.18 -0.23 5.02 0.40 0.19 -2.66 117.98 118.72 1hkj s PHE 271 Ca 0.40 -0.44 -0.10 0.00 -0.60 0.00 0.00 56.93 56.19 1hkj s PHE 271 Cb -0.09 -0.13 -0.05 0.00 0.51 0.00 0.00 43.02 43.26 1hkj s PHE 271 CO 0.32 -0.34 0.15 0.99 0.70 0.00 0.00 175.22 177.03 1hkj s THR 272 N -2.33 5.34 0.15 0.64 2.01 0.14 -1.15 115.64 120.45 1hkj s THR 272 Ca -0.07 0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.80 1hkj s THR 272 Cb -0.03 -3.48 -0.07 0.00 0.01 0.00 0.00 72.50 68.94 1hkj s THR 272 CO -0.03 0.37 1.05 -0.76 -0.69 0.00 0.00 174.62 174.56 1hkj s LEU 273 N 0.87 4.50 0.33 4.42 1.43 0.36 -0.61 118.68 129.98 1hkj s LEU 273 Ca 0.07 1.98 0.03 0.00 -1.03 0.00 0.00 54.13 55.18 1hkj s LEU 273 Cb -0.13 -3.60 0.62 0.00 0.03 0.00 0.00 46.19 43.11 1hkj s LEU 273 CO 0.03 -0.16 1.95 0.00 0.23 0.00 0.00 176.35 178.40 1hkj h ALA 274 N 5.28 1.58 -2.71 4.21 0.00 -1.50 -3.42 119.26 122.69 1hkj h ALA 274 Ca -0.44 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 1hkj h ALA 274 Cb 1.21 -0.25 -0.27 0.00 0.00 0.00 0.00 17.79 18.48 1hkj h ALA 274 CO 0.72 0.32 -0.34 0.45 0.00 0.00 0.00 179.25 180.40 1hkj s SER 275 N -6.19 -0.46 0.00 0.00 0.15 -1.26 -4.98 113.70 100.97 1hkj s SER 275 Ca -0.11 0.82 0.17 0.00 0.70 0.00 0.00 55.95 57.54 1hkj s SER 275 Cb 0.19 0.72 0.99 0.00 -1.71 0.00 0.00 66.02 66.21 1hkj s SER 275 CO 0.78 -0.19 1.42 -1.54 1.20 0.00 0.00 173.24 174.91 1hkj n SER 276 N 4.30 0.00 0.09 5.45 3.41 -1.26 -1.67 113.62 123.93 1hkj n SER 276 Ca -0.23 -0.48 -0.13 0.00 -0.26 0.00 0.00 58.87 57.77 1hkj n SER 276 Cb 0.55 -0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 64.40 1hkj n SER 276 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1hkj h SER 277 N 0.00 0.41 -3.54 4.04 0.02 -1.95 -3.41 113.55 109.12 1hkj h SER 277 Ca 0.00 -0.37 -0.70 0.00 -0.84 0.00 0.00 61.79 59.88 1hkj h SER 277 Cb 0.01 -0.13 -0.31 0.00 0.14 0.00 0.00 62.40 62.11 1hkj h SER 277 CO 0.00 1.22 -0.55 -0.62 -1.14 0.00 0.00 176.83 175.74 1hkj s ASP 278 N -7.06 5.35 -0.17 3.07 2.15 -0.67 -4.96 116.67 114.38 1hkj s ASP 278 Ca -0.04 -1.62 0.14 0.00 0.43 0.00 0.00 52.55 51.46 1hkj s ASP 278 Cb 0.08 -1.87 0.37 0.00 -0.30 0.00 0.00 42.92 41.20 1hkj s ASP 278 CO 0.86 -0.48 1.19 0.35 -0.17 0.00 0.00 175.17 176.93 1hkj n THR 279 N 4.75 1.97 -2.21 1.71 -2.24 -1.26 -4.72 114.28 112.28 1hkj n THR 279 Ca -0.08 -2.78 -0.26 0.00 -2.27 0.00 0.00 64.05 58.66 1hkj n THR 279 Cb 0.43 -0.17 0.16 0.00 -2.10 0.00 0.00 70.33 68.64 1hkj n THR 279 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1hkj n ARG 280 N -1.13 -0.74 -2.74 -0.78 1.85 -1.26 -4.96 116.66 106.90 1hkj n ARG 280 Ca 0.17 -2.29 -0.43 0.00 -1.00 0.00 0.00 57.85 54.30 1hkj n ARG 280 Cb 0.69 -1.02 0.00 0.00 -1.05 0.00 0.00 32.46 31.08 1hkj n ARG 280 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 177.63 179.17 1hkj n VAL 281 N -3.35 4.15 0.00 8.89 3.14 -1.26 -2.94 118.33 126.96 1hkj n VAL 281 Ca 0.16 -4.46 0.00 0.00 -2.96 0.00 0.00 64.34 57.08 1hkj n VAL 281 Cb 0.57 -2.43 0.00 0.00 -1.06 0.00 0.00 33.84 30.92 1hkj n VAL 281 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1hkj n GLY 282 N 4.28 -0.29 3.76 7.55 0.00 -0.73 -4.90 105.19 114.86 1hkj n GLY 282 Ca 0.41 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.11 1hkj n GLY 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hkj s ALA 283 N 0.00 2.26 0.17 4.61 0.00 -1.15 -4.57 121.76 123.08 1hkj s ALA 283 Ca 0.00 0.49 -0.30 0.00 0.00 0.00 0.00 51.96 52.15 1hkj s ALA 283 Cb 0.00 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.71 1hkj s ALA 283 CO 0.00 -1.65 1.30 -2.14 0.00 0.00 0.00 175.76 173.27 1hkj s PRO 284 N -4.41 4.39 -0.11 0.00 0.02 -1.26 -1.49 135.00 132.14 1hkj s PRO 284 Ca 0.66 2.01 0.03 0.00 0.02 0.00 0.00 61.00 63.72 1hkj s PRO 284 Cb -0.20 -3.22 0.00 0.00 0.02 0.00 0.00 34.50 31.10 1hkj s PRO 284 CO 0.48 -0.26 -0.23 0.00 -0.33 0.00 0.00 177.00 176.66 1hkj s ALA 285 N 0.34 2.18 -1.51 -1.55 0.00 -0.47 -1.28 121.76 119.47 1hkj s ALA 285 Ca 0.58 -1.00 0.23 0.00 0.00 0.00 0.00 51.96 51.76 1hkj s ALA 285 Cb -0.35 -0.87 1.18 0.00 0.00 0.00 0.00 23.12 23.08 1hkj s ALA 285 CO 0.36 0.18 1.75 0.25 0.00 0.00 0.00 175.76 178.29 1hkj n THR 286 N 3.71 0.25 -1.53 0.00 -2.24 0.22 -4.74 114.28 109.94 1hkj n THR 286 Ca -0.19 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1hkj n THR 286 Cb 0.52 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 1hkj n THR 286 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hkj n GLY 287 N 0.62 0.37 3.72 3.38 0.00 -1.23 -4.96 105.19 107.07 1hkj n GLY 287 Ca 0.12 -1.60 -0.32 0.00 0.00 0.00 0.00 46.02 44.22 1hkj n GLY 287 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hkj s SER 288 N -4.00 3.80 0.64 1.61 1.04 -1.26 0.27 113.70 115.81 1hkj s SER 288 Ca 0.00 2.15 -0.11 0.00 0.48 0.00 0.00 55.95 58.47 1hkj s SER 288 Cb 0.00 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.53 1hkj s SER 288 CO 0.00 -2.51 1.04 -0.83 0.98 0.00 0.00 173.24 171.92 1hkj s GLY 289 N -2.63 1.66 0.24 7.32 0.00 -1.09 -3.04 107.32 109.77 1hkj s GLY 289 Ca 0.68 -0.10 -0.31 0.00 0.00 0.00 0.00 44.72 44.99 1hkj s GLY 289 CO 0.53 0.19 1.24 2.41 0.00 0.00 0.00 173.10 177.46 1hkj n THR 290 N -2.83 1.25 -1.60 0.90 -1.04 -1.26 -2.65 114.28 107.04 1hkj n THR 290 Ca 0.06 -0.31 -0.37 0.00 -2.04 0.00 0.00 64.05 61.39 1hkj n THR 290 Cb 0.54 -1.19 0.07 0.00 -1.82 0.00 0.00 70.33 67.93 1hkj n THR 290 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1hkj n PRO 291 N 1.53 0.87 -2.73 -2.82 -0.02 -1.26 -4.64 135.00 125.93 1hkj n PRO 291 Ca 0.12 0.35 -0.37 0.00 -2.02 0.00 0.00 63.50 61.57 1hkj n PRO 291 Cb 0.30 -2.30 -0.06 0.00 -0.02 0.00 0.00 33.50 31.42 1hkj n PRO 291 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1hkj s GLY 292 N -1.39 2.81 0.56 -1.23 0.00 -1.26 -4.84 107.32 101.98 1hkj s GLY 292 Ca 0.78 0.57 0.27 0.00 0.00 0.00 0.00 44.72 46.34 1hkj s GLY 292 CO 0.45 1.02 2.01 -0.56 0.00 0.00 0.00 173.10 176.01 1hkj h PRO 293 N 3.14 0.00 0.01 2.90 0.13 -1.98 0.32 132.00 136.51 1hkj h PRO 293 Ca -0.47 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.27 1hkj h PRO 293 Cb 1.20 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 1hkj h PRO 293 CO 0.65 0.00 -2.45 1.19 -0.23 0.00 0.00 178.00 177.16 1hkj n PHE 294 N -4.05 0.06 0.09 1.56 3.72 -1.26 -4.58 117.46 113.00 1hkj n PHE 294 Ca 0.07 0.01 0.02 0.00 -0.05 0.00 0.00 57.45 57.50 1hkj n PHE 294 Cb 0.53 -1.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.03 1hkj n PHE 294 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1hkj h THR 295 N 0.00 0.65 -6.96 4.37 1.35 -1.93 -3.44 112.91 106.96 1hkj h THR 295 Ca -0.57 -2.05 -0.59 0.00 -0.55 0.00 0.00 66.41 62.65 1hkj h THR 295 Cb 1.93 2.19 -0.22 0.00 -1.73 0.00 0.00 68.15 70.33 1hkj h THR 295 CO -0.07 0.37 -0.93 0.29 -0.25 0.00 0.00 175.52 174.93 1hkj n LYS 296 N -3.04 -1.60 -3.50 4.72 5.02 0.11 -4.89 118.16 114.98 1hkj n LYS 296 Ca -0.03 0.19 -0.26 0.00 -2.02 0.00 0.00 58.31 56.19 1hkj n LYS 296 Cb 0.77 -4.16 -0.14 0.00 -0.02 0.00 0.00 35.03 31.49 1hkj n LYS 296 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1hkj s GLU 297 N -7.15 0.22 0.31 1.97 2.12 -1.26 -4.91 118.70 110.01 1hkj s GLU 297 Ca 0.25 -0.41 -0.27 0.00 0.36 0.00 0.00 54.97 54.89 1hkj s GLU 297 Cb -0.14 -1.03 -0.13 0.00 0.26 0.00 0.00 34.13 33.08 1hkj s GLU 297 CO 0.98 -1.02 1.03 0.41 -0.54 0.00 0.00 175.26 176.12 1hkj n GLY 298 N 5.27 -0.19 0.61 -1.50 0.00 -1.26 -2.84 105.19 105.27 1hkj n GLY 298 Ca -0.05 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1hkj n GLY 298 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hkj n GLY 299 N 1.17 0.60 3.23 -0.02 0.00 -1.08 -4.82 105.19 104.26 1hkj n GLY 299 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 1hkj n GLY 299 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1hkj s MET 300 N -0.80 0.83 -0.17 1.61 0.23 -1.13 -2.66 119.30 117.22 1hkj s MET 300 Ca 0.00 -0.72 -0.13 0.00 -1.03 0.00 0.00 55.69 53.81 1hkj s MET 300 Cb 0.00 0.35 0.05 0.00 -1.53 0.00 0.00 34.83 33.70 1hkj s MET 300 CO 0.00 -0.27 0.42 -0.51 -2.03 0.00 0.00 175.02 172.64 1hkj s LEU 301 N -2.45 0.18 0.67 0.18 1.43 -0.16 -4.33 118.68 114.19 1hkj s LEU 301 Ca -0.00 0.88 -0.14 0.00 -1.03 0.00 0.00 54.13 53.83 1hkj s LEU 301 Cb 0.02 1.43 0.01 0.00 0.03 0.00 0.00 46.19 47.67 1hkj s LEU 301 CO -0.07 -0.17 1.11 0.00 0.23 0.00 0.00 176.35 177.45 1hkj s ALA 302 N 0.69 2.45 0.24 4.21 0.00 -1.26 -0.94 121.76 127.15 1hkj s ALA 302 Ca -0.04 0.52 -0.06 0.00 0.00 0.00 0.00 51.96 52.39 1hkj s ALA 302 Cb -0.05 -3.31 0.31 0.00 0.00 0.00 0.00 23.12 20.06 1hkj s ALA 302 CO -0.05 -1.33 1.88 -0.92 0.00 0.00 0.00 175.76 175.34 1hkj h TYR 303 N -0.10 1.09 0.00 0.00 3.20 -0.30 -0.73 116.97 120.14 1hkj h TYR 303 Ca -0.46 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.43 1hkj h TYR 303 Cb 1.25 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 39.16 1hkj h TYR 303 CO 0.55 0.61 0.00 2.48 -1.64 0.00 0.00 178.16 180.16 1hkj n TYR 304 N -4.53 0.30 -0.02 -3.82 0.18 -1.21 -1.49 117.16 106.57 1hkj n TYR 304 Ca 0.12 0.14 -0.07 0.00 1.88 0.00 0.00 57.90 59.98 1hkj n TYR 304 Cb 0.12 -0.73 -0.13 0.00 -0.38 0.00 0.00 39.34 38.22 1hkj n TYR 304 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1hkj n GLU 305 N -1.80 0.64 0.00 -3.48 1.02 -0.30 -3.78 120.64 112.95 1hkj n GLU 305 Ca 0.01 0.24 0.12 0.00 -0.02 0.00 0.00 57.16 57.51 1hkj n GLU 305 Cb 0.08 -1.76 0.66 0.00 -0.02 0.00 0.00 31.44 30.41 1hkj n GLU 305 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1hkj n VAL 306 N -2.96 0.15 -0.06 2.62 0.31 -0.56 -3.38 118.33 114.45 1hkj n VAL 306 Ca -0.17 0.04 -0.21 0.00 -0.01 0.00 0.00 64.34 63.98 1hkj n VAL 306 Cb 1.01 -0.64 -0.13 0.00 -0.91 0.00 0.00 33.84 33.18 1hkj n VAL 306 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hkj n SER 308 N -3.58 0.44 -4.55 0.00 3.41 -1.22 -4.48 113.62 103.64 1hkj n SER 308 Ca -0.38 0.67 -0.30 0.00 -0.26 0.00 0.00 58.87 58.60 1hkj n SER 308 Cb 0.98 -0.69 -0.04 0.00 -0.26 0.00 0.00 64.21 64.19 1hkj n SER 308 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1hkj s TRP 309 N -3.42 1.49 -0.05 7.33 0.52 -1.25 -4.96 118.94 118.61 1hkj s TRP 309 Ca -0.02 1.11 -0.01 0.00 0.02 0.00 0.00 56.10 57.21 1hkj s TRP 309 Cb 0.05 -3.86 -0.03 0.00 -1.15 0.00 0.00 33.47 28.48 1hkj s TRP 309 CO 0.15 -2.05 0.01 0.15 0.02 0.00 0.00 176.95 175.24 1hkj s LYS 310 N 7.61 2.92 -0.24 4.98 1.02 -1.26 -4.36 119.74 130.41 1hkj s LYS 310 Ca 0.78 -0.49 -0.01 0.00 0.02 0.00 0.00 55.97 56.28 1hkj s LYS 310 Cb -0.12 -2.75 0.00 0.00 -0.52 0.00 0.00 37.83 34.44 1hkj s LYS 310 CO 0.13 0.67 0.11 0.41 -0.92 0.00 0.00 175.35 175.75 1hkj n GLY 311 N 1.79 0.53 3.58 -3.33 0.00 -1.26 -5.05 105.19 101.45 1hkj n GLY 311 Ca -0.17 -0.62 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 1hkj n GLY 311 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hkj s ALA 312 N -2.70 3.01 -0.25 4.61 0.00 -1.26 -4.84 121.76 120.33 1hkj s ALA 312 Ca 0.06 -2.25 0.01 0.00 0.00 0.00 0.00 51.96 49.78 1hkj s ALA 312 Cb -0.02 0.23 0.05 0.00 0.00 0.00 0.00 23.12 23.37 1hkj s ALA 312 CO 0.07 -0.14 -0.10 0.99 0.00 0.00 0.00 175.76 176.58 1hkj s THR 313 N -2.80 2.39 0.13 0.00 2.01 0.06 -4.94 115.64 112.48 1hkj s THR 313 Ca 0.35 -1.37 -0.17 0.00 0.31 0.00 0.00 61.69 60.81 1hkj s THR 313 Cb 0.09 -2.30 -0.07 0.00 0.01 0.00 0.00 72.50 70.23 1hkj s THR 313 CO 0.17 0.10 0.59 -0.75 -0.69 0.00 0.00 174.62 174.04 1hkj s LYS 314 N 1.19 4.11 0.14 4.92 2.20 -1.26 -2.65 119.74 128.40 1hkj s LYS 314 Ca -0.04 0.65 -0.10 0.00 -0.36 0.00 0.00 55.97 56.12 1hkj s LYS 314 Cb -0.18 -3.04 -0.00 0.00 -1.51 0.00 0.00 37.83 33.10 1hkj s LYS 314 CO -0.06 0.53 0.28 -0.65 -0.36 0.00 0.00 175.35 175.09 1hkj s GLN 315 N -1.63 1.08 0.19 4.03 -1.52 -0.78 -5.01 119.66 116.02 1hkj s GLN 315 Ca 0.35 -1.06 0.09 0.00 -1.95 0.00 0.00 55.36 52.79 1hkj s GLN 315 Cb -0.17 0.38 -0.04 0.00 -0.22 0.00 0.00 33.01 32.96 1hkj s GLN 315 CO 0.19 -0.39 -0.07 1.03 -0.25 0.00 0.00 175.29 175.81 1hkj s ARG 316 N -3.92 2.14 -0.93 2.91 1.81 -1.26 -2.04 118.95 117.65 1hkj s ARG 316 Ca 0.12 -1.27 -0.04 0.00 -1.72 0.00 0.00 55.73 52.81 1hkj s ARG 316 Cb 0.03 -2.18 0.23 0.00 -0.45 0.00 0.00 34.95 32.58 1hkj s ARG 316 CO -0.04 0.43 0.85 0.42 -0.68 0.00 0.00 175.30 176.27 1hkj s ILE 317 N -1.81 4.83 0.08 1.52 1.01 -0.52 -4.94 121.20 121.36 1hkj s ILE 317 Ca 0.26 -3.62 -0.01 0.00 0.00 0.00 0.00 60.65 57.29 1hkj s ILE 317 Cb -0.08 -3.97 0.12 0.00 0.01 0.00 0.00 42.46 38.54 1hkj s ILE 317 CO 0.16 -1.10 0.43 1.67 0.00 0.00 0.00 174.94 176.10 1hkj n GLN 318 N 2.59 -0.02 0.04 2.79 7.27 -1.26 0.12 117.38 128.91 1hkj n GLN 318 Ca 0.21 0.42 -0.07 0.00 0.07 0.00 0.00 57.00 57.62 1hkj n GLN 318 Cb 0.38 -0.64 0.10 0.00 2.41 0.00 0.00 30.24 32.48 1hkj n GLN 318 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 1hkj h ASP 319 N 0.00 0.47 0.21 1.69 3.32 -1.92 -3.30 116.42 116.88 1hkj h ASP 319 Ca 0.15 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1hkj h ASP 319 Cb 0.28 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1hkj h ASP 319 CO -0.27 0.92 -0.83 0.00 -1.72 0.00 0.00 179.24 177.34 1hkj n GLN 320 N -3.94 0.02 -1.92 3.56 6.02 0.33 -4.32 117.38 117.14 1hkj n GLN 320 Ca -0.03 -0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.81 1hkj n GLN 320 Cb 0.59 -1.51 -0.03 0.00 1.02 0.00 0.00 30.24 30.31 1hkj n GLN 320 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1hkj n LYS 321 N -1.53 -1.17 -4.17 -1.09 4.76 -0.55 -1.89 118.16 112.52 1hkj n LYS 321 Ca 0.04 0.89 -0.14 0.00 -2.87 0.00 0.00 58.31 56.23 1hkj n LYS 321 Cb 0.34 -5.16 -0.11 0.00 -1.84 0.00 0.00 35.03 28.26 1hkj n LYS 321 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1hkj s VAL 322 N -2.69 0.91 0.35 -0.18 -7.23 -1.26 -4.49 120.40 105.81 1hkj s VAL 322 Ca 0.00 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.53 1hkj s VAL 322 Cb 0.00 -1.35 0.07 0.00 0.56 0.00 0.00 36.38 35.65 1hkj s VAL 322 CO 0.00 -0.57 0.48 -0.81 -0.31 0.00 0.00 175.10 173.88 1hkj n PRO 323 N 0.55 0.32 -3.59 4.82 -0.04 -1.23 -1.44 135.00 134.39 1hkj n PRO 323 Ca -0.16 -1.34 -0.07 0.00 -0.04 0.00 0.00 63.50 61.88 1hkj n PRO 323 Cb 0.58 -0.30 -0.04 0.00 -0.04 0.00 0.00 33.50 33.69 1hkj n PRO 323 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1hkj s TYR 324 N -1.32 -0.25 0.11 0.54 -0.85 -0.87 -2.95 117.35 111.76 1hkj s TYR 324 Ca 0.32 0.37 -0.05 0.00 -0.52 0.00 0.00 57.07 57.19 1hkj s TYR 324 Cb -0.02 0.48 -0.02 0.00 0.38 0.00 0.00 41.96 42.78 1hkj s TYR 324 CO 0.21 -0.27 0.13 0.96 -1.52 0.00 0.00 175.55 175.05 1hkj s ILE 325 N -1.51 0.14 0.01 -3.49 -4.36 -0.64 -1.86 121.20 109.48 1hkj s ILE 325 Ca 0.03 -1.55 -0.07 0.00 -0.26 0.00 0.00 60.65 58.80 1hkj s ILE 325 Cb -0.01 -1.65 0.00 0.00 1.25 0.00 0.00 42.46 42.05 1hkj s ILE 325 CO -0.03 -0.62 0.14 0.72 0.24 0.00 0.00 174.94 175.39 1hkj s PHE 326 N -3.94 0.05 -0.28 1.37 -0.71 -1.08 -0.93 117.98 112.45 1hkj s PHE 326 Ca 0.12 -0.15 -0.00 0.00 -1.04 0.00 0.00 56.93 55.86 1hkj s PHE 326 Cb 0.06 -0.05 0.14 0.00 -1.21 0.00 0.00 43.02 41.95 1hkj s PHE 326 CO -0.05 -0.29 0.32 0.50 -1.34 0.00 0.00 175.22 174.35 1hkj s ARG 327 N -1.45 0.33 7.33 1.99 3.52 -0.98 -0.76 118.95 128.92 1hkj s ARG 327 Ca -0.14 -0.01 0.00 0.00 -0.13 0.00 0.00 55.73 55.44 1hkj s ARG 327 Cb -0.07 -0.62 0.00 0.00 -1.56 0.00 0.00 34.95 32.70 1hkj s ARG 327 CO 0.01 -0.97 0.00 -0.25 -0.81 0.00 0.00 175.30 173.28 1hkj n ASP 328 N 5.32 0.00 -1.39 -2.12 8.00 -1.26 -3.02 116.55 122.08 1hkj n ASP 328 Ca -0.02 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.56 1hkj n ASP 328 Cb 0.47 0.00 0.33 0.00 -0.02 0.00 0.00 41.12 41.91 1hkj n ASP 328 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1hkj n ASN 329 N 9.51 4.79 -4.36 -2.24 6.94 -1.26 -4.41 115.26 124.23 1hkj n ASN 329 Ca 0.00 -2.92 -0.36 0.00 -0.02 0.00 0.00 54.58 51.28 1hkj n ASN 329 Cb 0.00 -0.61 -0.13 0.00 -2.36 0.00 0.00 39.78 36.68 1hkj n ASN 329 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1hkj s GLN 330 N -2.70 3.42 -0.08 -3.83 -1.52 -1.17 0.14 119.66 113.93 1hkj s GLN 330 Ca 0.48 -0.61 0.05 0.00 -1.95 0.00 0.00 55.36 53.33 1hkj s GLN 330 Cb 0.37 -3.17 -0.00 0.00 -0.22 0.00 0.00 33.01 29.99 1hkj s GLN 330 CO 0.13 -0.23 -0.23 -0.46 -0.25 0.00 0.00 175.29 174.24 1hkj s TRP 331 N 1.53 2.41 -0.05 0.91 -0.00 -0.30 -2.33 118.94 121.10 1hkj s TRP 331 Ca 0.05 -0.86 -0.02 0.00 -0.00 0.00 0.00 56.10 55.28 1hkj s TRP 331 Cb -0.15 -1.60 0.03 0.00 -0.00 0.00 0.00 33.47 31.75 1hkj s TRP 331 CO -0.00 -0.31 0.05 0.54 -0.00 0.00 0.00 176.95 177.22 1hkj s VAL 332 N 0.13 0.00 -0.11 5.86 0.11 -0.11 0.57 120.40 126.85 1hkj s VAL 332 Ca -0.11 0.36 -0.21 0.00 -2.93 0.00 0.00 61.98 59.09 1hkj s VAL 332 Cb -0.16 -0.24 -0.04 0.00 -1.53 0.00 0.00 36.38 34.42 1hkj s VAL 332 CO 0.06 0.19 0.58 -0.83 -3.33 0.00 0.00 175.10 171.78 1hkj s GLY 333 N 2.13 2.44 0.13 6.54 0.00 -0.68 -1.63 107.32 116.25 1hkj s GLY 333 Ca 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 44.72 44.68 1hkj s GLY 333 CO -0.04 1.00 0.19 1.97 0.00 0.00 0.00 173.10 176.23 1hkj n PHE 334 N 3.88 -0.92 -5.02 1.90 -1.74 -1.15 -1.24 117.46 113.17 1hkj n PHE 334 Ca -0.04 -0.82 -0.31 0.00 -0.56 0.00 0.00 57.45 55.73 1hkj n PHE 334 Cb 0.51 0.22 -0.15 0.00 1.52 0.00 0.00 39.48 41.59 1hkj n PHE 334 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1hkj s ASP 335 N -1.77 3.30 0.01 5.98 1.11 -1.26 -3.52 116.67 120.52 1hkj s ASP 335 Ca 0.10 -0.48 0.00 0.00 0.18 0.00 0.00 52.55 52.34 1hkj s ASP 335 Cb -0.01 -0.41 -0.00 0.00 1.07 0.00 0.00 42.92 43.57 1hkj s ASP 335 CO 0.07 0.29 0.00 -0.90 1.18 0.00 0.00 175.17 175.81 1hkj n ASP 336 N 2.04 1.38 -0.25 0.27 5.68 -1.26 -4.96 116.55 119.45 1hkj n ASP 336 Ca -0.16 -1.05 -0.05 0.00 -0.50 0.00 0.00 54.79 53.03 1hkj n ASP 336 Cb 0.52 0.02 0.06 0.00 -1.14 0.00 0.00 41.12 40.57 1hkj n ASP 336 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 1hkj h VAL 337 N 1.01 1.18 0.89 2.12 2.07 -1.95 -1.34 116.25 120.24 1hkj h VAL 337 Ca -0.01 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 1hkj h VAL 337 Cb 0.03 0.14 0.01 0.00 -1.52 0.00 0.00 31.29 29.95 1hkj h VAL 337 CO 0.01 0.18 -0.43 -0.33 0.02 0.00 0.00 177.57 177.02 1hkj h GLU 338 N 0.96 -1.16 -0.27 1.57 3.07 -1.98 -1.08 114.58 115.69 1hkj h GLU 338 Ca 0.26 0.08 0.08 0.00 -0.50 0.00 0.00 59.36 59.28 1hkj h GLU 338 Cb -0.11 0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1hkj h GLU 338 CO -0.06 -0.77 0.23 0.66 -1.40 0.00 0.00 179.01 177.68 1hkj h SER 339 N -1.25 0.00 0.00 1.42 4.64 -1.76 0.94 113.55 117.55 1hkj h SER 339 Ca -0.12 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.00 1hkj h SER 339 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1hkj h SER 339 CO 0.20 0.00 -0.70 -0.26 -0.87 0.00 0.00 176.83 175.20 1hkj h PHE 340 N 0.00 0.84 -0.71 4.77 -1.00 -0.87 -1.82 116.94 118.15 1hkj h PHE 340 Ca 0.13 -0.35 -0.07 0.00 2.81 0.00 0.00 57.97 60.49 1hkj h PHE 340 Cb 0.59 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 39.99 1hkj h PHE 340 CO 0.00 1.14 0.17 0.87 -1.61 0.00 0.00 178.31 178.88 1hkj h LYS 341 N 0.45 1.14 0.01 1.51 1.57 0.45 0.35 116.57 122.04 1hkj h LYS 341 Ca -0.03 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1hkj h LYS 341 Cb 1.29 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1hkj h LYS 341 CO 0.13 1.01 -0.00 1.15 -0.57 0.00 0.00 179.45 181.17 1hkj h THR 342 N 1.08 1.03 -0.60 -0.16 2.02 -1.16 -2.17 112.91 112.95 1hkj h THR 342 Ca 0.22 -0.09 -0.06 0.00 0.77 0.00 0.00 66.41 67.25 1hkj h THR 342 Cb 0.38 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 1hkj h THR 342 CO 0.00 0.02 0.12 0.11 0.37 0.00 0.00 175.52 176.15 1hkj h LYS 343 N -0.05 0.94 -0.35 6.66 1.57 -1.15 -0.90 116.57 123.30 1hkj h LYS 343 Ca -0.00 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.50 1hkj h LYS 343 Cb 0.04 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1hkj h LYS 343 CO 0.00 0.86 -0.05 0.28 -0.57 0.00 0.00 179.45 179.97 1hkj h VAL 344 N 0.90 1.22 -0.21 0.50 2.07 -0.76 -2.17 116.25 117.80 1hkj h VAL 344 Ca 0.19 -0.93 -0.15 0.00 0.82 0.00 0.00 66.70 66.63 1hkj h VAL 344 Cb 0.36 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1hkj h VAL 344 CO 0.00 0.31 -0.48 -1.28 0.02 0.00 0.00 177.57 176.15 1hkj h SER 345 N 0.54 0.60 -0.43 0.57 0.87 -0.97 -2.55 113.55 112.18 1hkj h SER 345 Ca 0.11 -0.30 -0.07 0.00 -1.23 0.00 0.00 61.79 60.30 1hkj h SER 345 Cb 0.42 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1hkj h SER 345 CO 0.02 0.99 0.00 0.22 -0.53 0.00 0.00 176.83 177.53 1hkj h TYR 346 N 0.44 0.82 -0.24 2.24 5.03 -0.67 -1.43 116.97 123.17 1hkj h TYR 346 Ca 0.02 -0.14 -0.11 0.00 2.58 0.00 0.00 58.73 61.08 1hkj h TYR 346 Cb 1.00 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 39.06 1hkj h TYR 346 CO 0.04 0.82 -0.33 1.37 -1.32 0.00 0.00 178.16 178.74 1hkj h LEU 347 N 0.60 0.51 0.15 2.82 8.10 -1.42 -1.16 115.31 124.90 1hkj h LEU 347 Ca 0.12 -0.20 -0.01 0.00 0.11 0.00 0.00 57.88 57.91 1hkj h LEU 347 Cb 0.49 -0.14 0.00 0.00 -0.44 0.00 0.00 40.66 40.57 1hkj h LEU 347 CO 0.02 0.81 -0.07 0.11 -4.11 0.00 0.00 178.44 175.20 1hkj h LYS 348 N 0.42 -0.19 -0.42 0.17 1.57 -1.29 0.59 116.57 117.43 1hkj h LYS 348 Ca 0.05 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.96 1hkj h LYS 348 Cb 0.78 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 1hkj h LYS 348 CO 0.06 -0.03 0.31 1.96 -0.57 0.00 0.00 179.45 181.18 1hkj h GLN 349 N -0.32 0.00 0.00 3.15 1.08 -1.05 -0.50 115.11 117.47 1hkj h GLN 349 Ca -0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1hkj h GLN 349 Cb 0.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1hkj h GLN 349 CO 0.03 0.00 -0.33 1.63 -0.95 0.00 0.00 178.83 179.21 1hkj n LYS 350 N -4.37 0.03 -1.67 1.46 4.76 -0.46 -4.96 118.16 112.95 1hkj n LYS 350 Ca 0.07 0.01 -0.07 0.00 -2.87 0.00 0.00 58.31 55.45 1hkj n LYS 350 Cb 0.50 -1.53 -0.02 0.00 -1.84 0.00 0.00 35.03 32.15 1hkj n LYS 350 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1hkj n GLY 351 N 1.48 0.50 3.78 0.72 0.00 0.11 -4.95 105.19 106.83 1hkj n GLY 351 Ca 0.06 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 1hkj n GLY 351 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hkj s LEU 352 N -1.85 3.41 0.23 0.99 1.43 -0.70 -3.60 118.68 118.60 1hkj s LEU 352 Ca 0.00 1.94 0.19 0.00 -1.03 0.00 0.00 54.13 55.23 1hkj s LEU 352 Cb 0.00 -4.54 0.92 0.00 0.03 0.00 0.00 46.19 42.60 1hkj s LEU 352 CO 0.00 -1.50 1.58 0.61 0.23 0.00 0.00 176.35 177.27 1hkj n GLY 353 N -0.70 -0.97 0.00 -3.19 0.00 -0.61 -4.79 105.19 94.93 1hkj n GLY 353 Ca 0.10 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1hkj n GLY 353 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hkj n GLY 354 N -0.77 0.21 3.53 -0.02 0.00 -1.26 -0.59 105.19 106.29 1hkj n GLY 354 Ca 0.00 -1.43 -0.26 0.00 0.00 0.00 0.00 46.02 44.33 1hkj n GLY 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hkj s ALA 355 N -1.00 2.85 0.02 4.61 0.00 -0.61 -1.21 121.76 126.42 1hkj s ALA 355 Ca 0.00 -1.62 0.05 0.00 0.00 0.00 0.00 51.96 50.40 1hkj s ALA 355 Cb 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 1hkj s ALA 355 CO 0.00 0.39 -0.16 1.41 0.00 0.00 0.00 175.76 177.40 1hkj s MET 356 N -3.05 1.13 -0.01 0.00 0.00 0.08 -1.32 119.30 116.14 1hkj s MET 356 Ca 0.26 -0.72 0.01 0.00 0.00 0.00 0.00 55.69 55.23 1hkj s MET 356 Cb -0.07 -1.15 0.01 0.00 0.00 0.00 0.00 34.83 33.61 1hkj s MET 356 CO 0.15 0.30 -0.02 0.54 0.00 0.00 0.00 175.02 175.98 1hkj s VAL 357 N -0.67 0.23 -0.25 10.11 0.11 -0.02 0.46 120.40 130.36 1hkj s VAL 357 Ca 0.04 -0.06 0.02 0.00 -2.93 0.00 0.00 61.98 59.05 1hkj s VAL 357 Cb -0.07 -0.23 0.06 0.00 -1.53 0.00 0.00 36.38 34.60 1hkj s VAL 357 CO 0.01 0.09 -0.07 0.86 -3.33 0.00 0.00 175.10 172.66 1hkj s TRP 358 N 0.28 2.79 0.05 1.54 -0.11 -0.83 -1.82 118.94 120.83 1hkj s TRP 358 Ca -0.03 -2.03 -0.05 0.00 1.22 0.00 0.00 56.10 55.22 1hkj s TRP 358 Cb -0.05 -1.77 -0.02 0.00 -1.50 0.00 0.00 33.47 30.13 1hkj s TRP 358 CO -0.01 -0.83 0.07 0.00 -4.62 0.00 0.00 176.95 171.57 1hkj s ALA 359 N 1.26 0.06 0.33 5.86 0.00 -1.26 -1.13 121.76 126.88 1hkj s ALA 359 Ca -0.06 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.24 1hkj s ALA 359 Cb -0.19 0.29 0.94 0.00 0.00 0.00 0.00 23.12 24.15 1hkj s ALA 359 CO -0.06 -0.35 1.57 -0.07 0.00 0.00 0.00 175.76 176.85 1hkj h LEU 360 N 3.44 -0.25 -0.82 0.00 3.38 -1.36 -1.40 115.31 118.30 1hkj h LEU 360 Ca -0.33 0.28 0.16 0.00 0.09 0.00 0.00 57.88 58.08 1hkj h LEU 360 Cb 1.18 0.43 -0.15 0.00 0.09 0.00 0.00 40.66 42.20 1hkj h LEU 360 CO 0.55 -0.39 -0.21 -0.67 0.09 0.00 0.00 178.44 177.81 1hkj n ASP 361 N -5.43 -0.30 -0.56 -0.43 -0.08 -1.26 -2.97 116.55 105.52 1hkj n ASP 361 Ca 0.28 1.40 0.11 0.00 -1.51 0.00 0.00 54.79 55.07 1hkj n ASP 361 Cb 0.92 -0.42 0.01 0.00 2.34 0.00 0.00 41.12 43.97 1hkj n ASP 361 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1hkj n LEU 362 N -5.33 2.17 -4.81 -2.67 4.77 -0.53 -4.81 117.00 105.80 1hkj n LEU 362 Ca 0.13 -0.80 -0.29 0.00 -0.03 0.00 0.00 56.01 55.02 1hkj n LEU 362 Cb 0.41 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.64 1hkj n LEU 362 CO -0.10 0.40 0.74 -0.62 -1.33 0.00 0.00 177.39 176.48 1hkj s ASP 363 N -2.40 3.40 -1.45 -1.43 -1.08 -1.16 -1.87 116.67 110.68 1hkj s ASP 363 Ca 0.20 0.82 -0.11 0.00 -0.52 0.00 0.00 52.55 52.93 1hkj s ASP 363 Cb 0.18 -1.28 0.05 0.00 -1.46 0.00 0.00 42.92 40.41 1hkj s ASP 363 CO 0.53 -2.61 2.33 -0.67 0.52 0.00 0.00 175.17 175.28 1hkj n ASP 364 N -3.78 5.57 0.11 -0.34 2.03 -1.26 -4.66 116.55 114.22 1hkj n ASP 364 Ca 0.08 -2.86 0.05 0.00 0.52 0.00 0.00 54.79 52.58 1hkj n ASP 364 Cb 0.60 -1.57 0.28 0.00 -0.72 0.00 0.00 41.12 39.71 1hkj n ASP 364 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1hkj n PHE 365 N 4.69 0.35 -1.63 -0.67 -1.74 -1.26 -1.34 117.46 115.86 1hkj n PHE 365 Ca 0.56 0.18 0.03 0.00 -0.56 0.00 0.00 57.45 57.67 1hkj n PHE 365 Cb 0.34 -0.64 0.04 0.00 1.52 0.00 0.00 39.48 40.74 1hkj n PHE 365 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1hkj n ALA 366 N -1.53 2.04 -4.04 1.98 0.00 -1.26 -4.13 120.51 113.56 1hkj n ALA 366 Ca -0.01 -1.49 -0.29 0.00 0.00 0.00 0.00 53.44 51.65 1hkj n ALA 366 Cb 0.22 -0.43 -0.02 0.00 0.00 0.00 0.00 19.45 19.21 1hkj n ALA 366 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hkj n GLY 367 N -0.46 -0.31 1.10 0.00 0.00 -0.60 -4.80 105.19 100.13 1hkj n GLY 367 Ca 0.05 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.30 1hkj n GLY 367 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1hkj n PHE 368 N -4.42 0.97 0.00 1.61 1.16 -1.26 -4.68 117.46 110.84 1hkj n PHE 368 Ca -0.17 -0.61 0.00 0.00 -1.87 0.00 0.00 57.45 54.80 1hkj n PHE 368 Cb 0.61 -0.16 0.00 0.00 -1.61 0.00 0.00 39.48 38.33 1hkj n PHE 368 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1hkj n SER 369 N 0.66 0.00 -0.00 5.98 2.88 -1.26 -4.97 113.62 116.91 1hkj n SER 369 Ca 0.20 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.86 1hkj n SER 369 Cb 0.70 0.24 0.36 0.00 -0.75 0.00 0.00 64.21 64.76 1hkj n SER 369 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hkj n ASN 371 N -1.49 -2.56 -0.13 0.00 4.13 -1.26 -4.86 115.26 109.08 1hkj n ASN 371 Ca 0.06 -0.71 0.00 0.00 1.68 0.00 0.00 54.58 55.61 1hkj n ASN 371 Cb 0.34 -4.54 0.00 0.00 -1.54 0.00 0.00 39.78 34.04 1hkj n ASN 371 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1hkj n GLN 372 N -4.37 0.21 0.00 3.52 6.02 -1.26 -5.14 117.38 116.37 1hkj n GLN 372 Ca -0.22 -0.73 0.00 0.00 -0.01 0.00 0.00 57.00 56.04 1hkj n GLN 372 Cb 0.64 -0.55 0.00 0.00 1.02 0.00 0.00 30.24 31.35 1hkj n GLN 372 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1hkj n GLY 373 N -0.06 -1.80 3.57 1.08 0.00 -1.26 -4.56 105.19 102.16 1hkj n GLY 373 Ca 0.00 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 1hkj n GLY 373 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1hkj s ARG 374 N 0.00 3.68 -0.86 1.61 3.52 -1.26 -2.42 118.95 123.22 1hkj s ARG 374 Ca 0.00 0.12 -0.05 0.00 -0.13 0.00 0.00 55.73 55.67 1hkj s ARG 374 Cb 0.00 -3.82 -0.05 0.00 -1.56 0.00 0.00 34.95 29.52 1hkj s ARG 374 CO 0.00 -0.79 0.76 0.66 -0.81 0.00 0.00 175.30 175.12 1hkj n TYR 375 N 6.19 -2.12 -0.15 5.12 4.01 -0.45 -4.79 117.16 124.97 1hkj n TYR 375 Ca 0.00 0.74 -0.06 0.00 -0.16 0.00 0.00 57.90 58.43 1hkj n TYR 375 Cb 0.48 -3.86 0.03 0.00 -0.31 0.00 0.00 39.34 35.69 1hkj n TYR 375 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1hkj h PRO 376 N -0.81 0.47 0.18 -0.72 0.13 -1.76 -0.54 132.00 128.95 1hkj h PRO 376 Ca -0.47 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 1hkj h PRO 376 Cb 1.24 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1hkj h PRO 376 CO 0.36 0.31 -0.09 -0.07 -0.23 0.00 0.00 178.00 178.29 1hkj h LEU 377 N 0.49 -0.20 -0.99 1.56 3.38 -1.95 -2.72 115.31 114.88 1hkj h LEU 377 Ca 0.19 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 1hkj h LEU 377 Cb 0.08 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1hkj h LEU 377 CO -0.12 0.24 -0.46 0.40 0.09 0.00 0.00 178.44 178.58 1hkj h ILE 378 N -0.69 1.33 -0.13 1.22 2.04 -1.95 -1.40 117.51 117.93 1hkj h ILE 378 Ca -0.02 -1.62 -0.06 0.00 1.00 0.00 0.00 64.86 64.16 1hkj h ILE 378 Cb 0.49 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 1hkj h ILE 378 CO 0.04 0.47 -0.20 -0.61 0.00 0.00 0.00 178.15 177.85 1hkj h GLN 379 N 0.07 0.22 -0.23 2.37 5.75 -1.16 0.66 115.11 122.80 1hkj h GLN 379 Ca 0.00 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.40 1hkj h GLN 379 Cb 0.85 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.37 1hkj h GLN 379 CO 0.06 0.42 0.00 1.15 -2.65 0.00 0.00 178.83 177.82 1hkj h THR 380 N 0.21 1.25 -0.49 2.39 2.02 -0.96 -1.93 112.91 115.40 1hkj h THR 380 Ca 0.04 -0.89 0.02 0.00 0.77 0.00 0.00 66.41 66.35 1hkj h THR 380 Cb 0.47 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 1hkj h THR 380 CO 0.03 0.28 0.29 -0.07 0.37 0.00 0.00 175.52 176.42 1hkj h LEU 381 N 0.18 0.48 -0.46 2.58 3.38 -0.25 -0.62 115.31 120.59 1hkj h LEU 381 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1hkj h LEU 381 Cb 0.40 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1hkj h LEU 381 CO 0.01 0.34 0.24 -0.09 0.09 0.00 0.00 178.44 179.03 1hkj h ARG 382 N 0.59 0.65 -0.18 1.13 2.43 -0.83 0.75 114.38 118.93 1hkj h ARG 382 Ca 0.19 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 59.18 1hkj h ARG 382 Cb 0.01 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1hkj h ARG 382 CO -0.08 0.54 -0.28 1.96 -1.51 0.00 0.00 179.97 180.59 1hkj h GLN 383 N 0.60 0.51 0.00 0.20 4.20 -1.23 0.14 115.11 119.53 1hkj h GLN 383 Ca 0.16 -0.31 -0.06 0.00 0.06 0.00 0.00 58.65 58.51 1hkj h GLN 383 Cb 0.09 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1hkj h GLN 383 CO -0.02 0.91 -0.27 0.93 -0.67 0.00 0.00 178.83 179.70 1hkj h GLU 384 N 0.15 0.00 0.11 1.46 4.39 -1.07 -3.24 114.58 116.39 1hkj h GLU 384 Ca 0.02 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.40 1hkj h GLU 384 Cb 0.86 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 1hkj h GLU 384 CO 0.06 0.27 -1.65 -0.07 -1.16 0.00 0.00 179.01 176.47 1hkj h LEU 385 N 0.00 0.37 0.00 1.33 3.38 -0.79 -3.49 115.31 116.11 1hkj h LEU 385 Ca -0.00 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.12 1hkj h LEU 385 Cb 0.57 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1hkj h LEU 385 CO 0.04 1.71 0.00 -0.24 0.09 0.00 0.00 178.44 180.04