#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hlj s TRP 5 N 0.00 2.66 0.00 1.57 1.48 -1.26 -4.85 118.94 118.54 3hlj s TRP 5 Ca 0.00 1.54 0.00 0.00 -1.06 0.00 0.00 56.10 56.58 3hlj s TRP 5 Cb 0.00 -3.29 0.00 0.00 -1.16 0.00 0.00 33.47 29.02 3hlj s TRP 5 CO 0.00 -1.61 0.00 0.41 -4.06 0.00 0.00 176.95 171.69 3hlj n GLY 6 N 0.13 2.46 2.56 3.67 0.00 -0.42 -5.04 105.19 108.55 3hlj n GLY 6 Ca 0.12 -0.16 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 3hlj n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hlj n TYR 7 N 0.00 2.25 -4.36 1.61 4.01 -1.26 -3.77 117.16 115.63 3hlj n TYR 7 Ca 0.00 -2.87 -0.28 0.00 -0.16 0.00 0.00 57.90 54.59 3hlj n TYR 7 Cb 0.00 -0.24 -0.04 0.00 -0.31 0.00 0.00 39.34 38.76 3hlj n TYR 7 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hlj n GLY 8 N -0.31 3.27 0.26 2.72 0.00 -1.26 -4.82 105.19 105.04 3hlj n GLY 8 Ca 0.24 -2.33 0.04 0.00 0.00 0.00 0.00 46.02 43.97 3hlj n GLY 8 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hlj h LYS 9 N 0.00 0.21 -0.00 1.61 1.63 -1.98 -0.27 116.57 117.77 3hlj h LYS 9 Ca -0.36 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.41 3hlj h LYS 9 Cb 1.18 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 3hlj h LYS 9 CO 0.59 0.26 -0.61 0.72 -3.45 0.00 0.00 179.45 176.96 3hlj n HIS 10 N -4.38 0.00 -0.72 1.91 8.25 -1.26 -4.58 115.22 114.44 3hlj n HIS 10 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3hlj n HIS 10 Cb 0.18 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.29 3hlj n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3hlj n ASN 11 N -1.30 0.65 -3.13 0.41 6.94 -1.21 -4.93 115.26 112.69 3hlj n ASN 11 Ca 0.02 -1.37 -0.18 0.00 -0.02 0.00 0.00 54.58 53.04 3hlj n ASN 11 Cb 0.20 -0.01 0.14 0.00 -2.36 0.00 0.00 39.78 37.75 3hlj n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hlj n GLY 12 N -0.18 -2.00 0.43 4.83 0.00 -0.12 -1.30 105.19 106.86 3hlj n GLY 12 Ca 0.00 -1.59 0.25 0.00 0.00 0.00 0.00 46.02 44.69 3hlj n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hlj h PRO 13 N 0.00 0.31 0.00 1.61 0.11 -1.85 0.23 132.00 132.41 3hlj h PRO 13 Ca -0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3hlj h PRO 13 Cb 0.73 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.77 3hlj h PRO 13 CO 0.17 0.20 0.00 -0.85 -0.21 0.00 0.00 178.00 177.31 3hlj n GLU 14 N -4.59 0.19 0.01 1.05 0.00 -1.26 -2.59 120.64 113.45 3hlj n GLU 14 Ca 0.27 0.49 0.11 0.00 0.00 0.00 0.00 57.16 58.02 3hlj n GLU 14 Cb 0.97 -1.92 -0.12 0.00 0.00 0.00 0.00 31.44 30.37 3hlj n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3hlj n HIS 15 N -2.29 0.10 -0.00 -1.84 8.25 0.79 -4.63 115.22 115.59 3hlj n HIS 15 Ca 0.01 0.03 0.11 0.00 -0.26 0.00 0.00 57.72 57.61 3hlj n HIS 15 Cb 0.18 -0.40 0.53 0.00 1.12 0.00 0.00 29.99 31.42 3hlj n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3hlj h TRP 16 N 0.00 0.33 0.00 4.41 6.55 -1.44 -2.55 115.95 123.25 3hlj h TRP 16 Ca 0.00 0.01 -0.00 0.00 0.95 0.00 0.00 58.89 59.85 3hlj h TRP 16 Cb 0.84 -0.11 -0.00 0.00 -0.86 0.00 0.00 29.16 29.04 3hlj h TRP 16 CO 0.00 0.17 -0.00 1.12 -1.05 0.00 0.00 178.44 178.68 3hlj h HIS 17 N 0.32 0.00 -0.29 0.49 2.07 -1.79 0.69 115.15 116.64 3hlj h HIS 17 Ca 0.20 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.59 3hlj h HIS 17 Cb 0.39 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.36 3hlj h HIS 17 CO -0.00 0.00 -0.36 0.87 -3.07 0.00 0.00 177.93 175.37 3hlj h LYS 18 N 0.00 0.66 0.00 5.12 1.57 -1.81 -2.76 116.57 119.36 3hlj h LYS 18 Ca -0.00 -0.32 -0.11 0.00 -1.87 0.00 0.00 60.65 58.36 3hlj h LYS 18 Cb 0.00 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3hlj h LYS 18 CO 0.00 0.92 -1.73 -0.25 -0.57 0.00 0.00 179.45 177.82 3hlj n ASP 19 N -4.05 0.37 -3.54 0.86 8.00 -0.80 -4.74 116.55 112.65 3hlj n ASP 19 Ca -0.01 0.16 -0.27 0.00 0.71 0.00 0.00 54.79 55.37 3hlj n ASP 19 Cb 0.50 1.08 -0.11 0.00 -0.02 0.00 0.00 41.12 42.57 3hlj n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3hlj s PHE 20 N -3.16 1.77 0.62 1.24 0.08 0.17 -4.99 117.98 113.70 3hlj s PHE 20 Ca -0.06 -2.58 0.29 0.00 0.12 0.00 0.00 56.93 54.70 3hlj s PHE 20 Cb 0.10 -1.42 1.53 0.00 -0.57 0.00 0.00 43.02 42.66 3hlj s PHE 20 CO 0.85 -0.75 1.91 -1.35 -0.10 0.00 0.00 175.22 175.78 3hlj h PRO 21 N 5.65 0.00 0.00 0.24 0.11 -1.73 -0.50 132.00 135.77 3hlj h PRO 21 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3hlj h PRO 21 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3hlj h PRO 21 CO 0.46 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.76 3hlj n ILE 22 N -3.40 1.26 0.07 4.15 3.06 -1.26 -2.43 119.36 120.81 3hlj n ILE 22 Ca 0.04 0.49 0.21 0.00 -2.50 0.00 0.00 62.75 60.98 3hlj n ILE 22 Cb 0.53 -1.43 0.74 0.00 0.54 0.00 0.00 39.64 40.02 3hlj n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3hlj h ALA 23 N 2.13 2.21 -0.56 1.51 0.00 -1.40 0.28 119.26 123.43 3hlj h ALA 23 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3hlj h ALA 23 Cb 0.12 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 3hlj h ALA 23 CO 0.00 -0.65 0.12 1.63 0.00 0.00 0.00 179.25 180.36 3hlj n LYS 24 N -3.90 3.62 -0.82 0.00 5.02 -1.02 -4.96 118.16 116.10 3hlj n LYS 24 Ca 0.08 -3.06 -0.21 0.00 -2.02 0.00 0.00 58.31 53.10 3hlj n LYS 24 Cb 0.61 -2.11 0.17 0.00 -0.02 0.00 0.00 35.03 33.68 3hlj n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hlj n GLY 25 N -0.17 -2.47 0.04 0.72 0.00 0.98 -4.98 105.19 99.31 3hlj n GLY 25 Ca 0.33 -1.51 0.12 0.00 0.00 0.00 0.00 46.02 44.96 3hlj n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hlj n GLU 26 N -3.70 0.16 -2.88 1.61 -0.58 -1.26 -4.35 120.64 109.64 3hlj n GLU 26 Ca 0.11 0.07 -0.13 0.00 -0.42 0.00 0.00 57.16 56.79 3hlj n GLU 26 Cb 0.41 -1.62 0.01 0.00 -0.57 0.00 0.00 31.44 29.67 3hlj n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 3hlj n ARG 27 N -1.87 1.07 -2.93 3.49 1.85 -1.26 -4.61 116.66 112.39 3hlj n ARG 27 Ca 0.05 -3.19 -0.31 0.00 -1.00 0.00 0.00 57.85 53.40 3hlj n ARG 27 Cb 0.39 -1.37 -0.04 0.00 -1.05 0.00 0.00 32.46 30.39 3hlj n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3hlj s GLN 28 N -2.55 3.84 0.16 2.89 -1.52 -1.26 -2.71 119.66 118.52 3hlj s GLN 28 Ca 0.32 0.53 0.08 0.00 -1.95 0.00 0.00 55.36 54.34 3hlj s GLN 28 Cb 0.41 -2.40 -0.04 0.00 -0.22 0.00 0.00 33.01 30.75 3hlj s GLN 28 CO -0.02 0.02 -0.18 -1.12 -0.25 0.00 0.00 175.29 173.74 3hlj s SER 29 N -2.91 2.61 0.95 5.90 0.01 -1.26 -4.67 113.70 114.33 3hlj s SER 29 Ca 0.52 -0.86 -0.12 0.00 1.31 0.00 0.00 55.95 56.80 3hlj s SER 29 Cb -0.10 -0.15 0.18 0.00 0.21 0.00 0.00 66.02 66.16 3hlj s SER 29 CO 0.27 -0.05 1.11 -0.81 0.41 0.00 0.00 173.24 174.17 3hlj n PRO 30 N 0.29 -0.95 -4.18 12.44 -0.04 -1.26 -4.53 135.00 136.76 3hlj n PRO 30 Ca -0.13 -1.87 -0.11 0.00 -0.04 0.00 0.00 63.50 61.34 3hlj n PRO 30 Cb 0.57 -1.09 -0.10 0.00 -0.04 0.00 0.00 33.50 32.84 3hlj n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3hlj s VAL 31 N -3.38 0.57 0.09 0.52 -7.23 -1.26 -0.05 120.40 109.66 3hlj s VAL 31 Ca 0.64 -1.94 -0.30 0.00 -1.81 0.00 0.00 61.98 58.57 3hlj s VAL 31 Cb -0.02 -1.86 -0.06 0.00 0.56 0.00 0.00 36.38 35.00 3hlj s VAL 31 CO 0.45 -0.70 1.07 -0.62 -0.31 0.00 0.00 175.10 174.98 3hlj s ASP 32 N -3.08 7.29 -0.49 4.85 2.15 -1.26 -3.02 116.67 123.12 3hlj s ASP 32 Ca 0.17 1.91 -0.17 0.00 0.43 0.00 0.00 52.55 54.88 3hlj s ASP 32 Cb 0.06 -2.59 0.06 0.00 -0.30 0.00 0.00 42.92 40.16 3hlj s ASP 32 CO -0.01 -0.26 0.51 -0.63 -0.17 0.00 0.00 175.17 174.61 3hlj s ILE 33 N 0.44 5.05 -0.58 4.11 1.01 0.61 -4.95 121.20 126.88 3hlj s ILE 33 Ca 0.52 -0.73 -0.25 0.00 0.00 0.00 0.00 60.65 60.19 3hlj s ILE 33 Cb -0.26 -4.21 0.04 0.00 0.01 0.00 0.00 42.46 38.04 3hlj s ILE 33 CO 0.31 -0.68 1.03 -0.62 0.00 0.00 0.00 174.94 174.97 3hlj s ASP 34 N 2.59 6.33 0.57 3.58 -1.08 -1.26 -0.54 116.67 126.86 3hlj s ASP 34 Ca 0.10 -0.33 0.33 0.00 -0.52 0.00 0.00 52.55 52.13 3hlj s ASP 34 Cb -0.21 -2.47 1.74 0.00 -1.46 0.00 0.00 42.92 40.51 3hlj s ASP 34 CO 0.10 -1.36 2.16 0.71 0.52 0.00 0.00 175.17 177.30 3hlj h THR 35 N 6.05 0.31 0.04 1.71 1.35 -1.95 -2.20 112.91 118.22 3hlj h THR 35 Ca -0.26 -0.34 -0.28 0.00 -0.55 0.00 0.00 66.41 64.98 3hlj h THR 35 Cb 1.07 1.25 -0.03 0.00 -1.73 0.00 0.00 68.15 68.71 3hlj h THR 35 CO 1.14 0.05 -1.46 0.45 -0.25 0.00 0.00 175.52 175.45 3hlj h HIS 36 N 0.00 0.17 -0.01 4.73 3.86 -2.03 -3.32 115.15 118.55 3hlj h HIS 36 Ca -0.00 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 3hlj h HIS 36 Cb 0.24 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.71 3hlj h HIS 36 CO 0.00 1.16 -0.29 0.25 0.86 0.00 0.00 177.93 179.91 3hlj n THR 37 N -3.29 0.00 -1.92 2.45 -2.24 -1.06 -4.90 114.28 103.34 3hlj n THR 37 Ca -0.12 -0.21 -0.41 0.00 -2.27 0.00 0.00 64.05 61.03 3hlj n THR 37 Cb 1.02 0.78 -0.02 0.00 -2.10 0.00 0.00 70.33 70.01 3hlj n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hlj s ALA 38 N -2.41 3.69 -0.31 6.98 0.00 -0.85 -4.84 121.76 124.03 3hlj s ALA 38 Ca 0.24 1.42 -0.20 0.00 0.00 0.00 0.00 51.96 53.42 3hlj s ALA 38 Cb 0.19 -3.60 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 3hlj s ALA 38 CO 0.50 -0.83 0.64 0.21 0.00 0.00 0.00 175.76 176.28 3hlj s LYS 39 N -0.20 3.88 0.11 0.00 2.47 -0.51 -4.80 119.74 120.69 3hlj s LYS 39 Ca 0.62 0.29 -0.31 0.00 -1.56 0.00 0.00 55.97 55.02 3hlj s LYS 39 Cb -0.44 -3.74 -0.09 0.00 -1.46 0.00 0.00 37.83 32.10 3hlj s LYS 39 CO 0.43 -0.60 1.63 -0.47 0.16 0.00 0.00 175.35 176.51 3hlj s TYR 40 N 2.64 2.65 -0.31 4.03 5.04 -1.26 -0.59 117.35 129.56 3hlj s TYR 40 Ca 0.26 0.41 0.03 0.00 -2.44 0.00 0.00 57.07 55.33 3hlj s TYR 40 Cb -0.15 -3.97 0.08 0.00 0.35 0.00 0.00 41.96 38.28 3hlj s TYR 40 CO 0.12 -3.77 -0.01 0.34 -1.34 0.00 0.00 175.55 170.89 3hlj s ASP 41 N 1.93 4.65 0.20 4.32 -1.08 -0.54 -4.89 116.67 121.26 3hlj s ASP 41 Ca 0.73 -1.85 0.19 0.00 -0.52 0.00 0.00 52.55 51.10 3hlj s ASP 41 Cb -0.42 -1.60 0.85 0.00 -1.46 0.00 0.00 42.92 40.29 3hlj s ASP 41 CO 0.32 -0.31 1.57 -0.81 0.52 0.00 0.00 175.17 176.47 3hlj n PRO 42 N 4.33 0.12 0.00 4.34 -0.04 -1.26 -2.11 135.00 140.38 3hlj n PRO 42 Ca -0.03 0.46 0.13 0.00 -0.04 0.00 0.00 63.50 64.01 3hlj n PRO 42 Cb 0.42 -1.79 0.43 0.00 -0.04 0.00 0.00 33.50 32.52 3hlj n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3hlj n SER 43 N -2.03 0.52 -4.73 3.54 3.41 -1.26 -4.86 113.62 108.21 3hlj n SER 43 Ca 0.01 -0.34 -0.42 0.00 -0.26 0.00 0.00 58.87 57.87 3hlj n SER 43 Cb 0.14 0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 3hlj n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hlj s LEU 44 N -2.77 4.39 0.53 1.04 1.43 -0.90 -5.02 118.68 117.40 3hlj s LEU 44 Ca 0.19 2.47 -0.10 0.00 -1.03 0.00 0.00 54.13 55.66 3hlj s LEU 44 Cb 0.19 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.76 3hlj s LEU 44 CO 0.58 -0.65 0.91 -0.54 0.23 0.00 0.00 176.35 176.89 3hlj s LYS 45 N 0.34 3.66 0.65 1.70 1.02 -1.20 -5.00 119.74 120.90 3hlj s LYS 45 Ca 0.61 0.58 -0.18 0.00 0.02 0.00 0.00 55.97 57.00 3hlj s LYS 45 Cb -0.39 -2.22 -0.01 0.00 -0.52 0.00 0.00 37.83 34.69 3hlj s LYS 45 CO 0.36 -0.34 1.29 -2.14 -0.92 0.00 0.00 175.35 173.60 3hlj s PRO 46 N -4.71 2.56 0.08 -1.68 0.02 -1.26 -3.40 135.00 126.62 3hlj s PRO 46 Ca 0.53 2.06 -0.30 0.00 0.02 0.00 0.00 61.00 63.31 3hlj s PRO 46 Cb -0.11 -1.85 -0.06 0.00 0.02 0.00 0.00 34.50 32.51 3hlj s PRO 46 CO 0.45 -1.59 1.09 -1.17 -0.33 0.00 0.00 177.00 175.45 3hlj s LEU 47 N -4.36 4.42 -0.41 -5.54 2.96 -1.26 -1.47 118.68 113.02 3hlj s LEU 47 Ca 0.83 1.93 -0.12 0.00 -0.22 0.00 0.00 54.13 56.54 3hlj s LEU 47 Cb -0.37 -3.58 0.04 0.00 0.50 0.00 0.00 46.19 42.77 3hlj s LEU 47 CO 0.40 -0.31 0.27 -0.55 -1.32 0.00 0.00 176.35 174.83 3hlj s SER 48 N 0.62 5.88 -0.35 3.68 0.15 -0.09 -4.85 113.70 118.72 3hlj s SER 48 Ca 0.53 -1.11 -0.09 0.00 0.70 0.00 0.00 55.95 55.99 3hlj s SER 48 Cb -0.27 -2.08 0.03 0.00 -1.71 0.00 0.00 66.02 62.00 3hlj s SER 48 CO 0.31 -0.47 0.16 -0.69 1.20 0.00 0.00 173.24 173.75 3hlj s VAL 49 N 1.58 4.26 -0.61 4.45 1.01 -1.26 -1.44 120.40 128.39 3hlj s VAL 49 Ca 0.03 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 61.08 3hlj s VAL 49 Cb -0.21 -3.37 0.15 0.00 0.00 0.00 0.00 36.38 32.96 3hlj s VAL 49 CO 0.07 -0.18 0.40 -0.44 0.00 0.00 0.00 175.10 174.95 3hlj s SER 50 N 1.50 4.94 0.00 3.32 0.01 -0.11 -4.89 113.70 118.47 3hlj s SER 50 Ca 0.01 -2.99 0.12 0.00 1.31 0.00 0.00 55.95 54.40 3hlj s SER 50 Cb -0.19 -1.78 0.22 0.00 0.21 0.00 0.00 66.02 64.48 3hlj s SER 50 CO 0.05 -0.30 1.08 -1.22 0.41 0.00 0.00 173.24 173.26 3hlj n TYR 51 N 3.24 0.25 -0.32 2.43 4.01 -1.26 -0.98 117.16 124.53 3hlj n TYR 51 Ca 0.08 -0.24 0.13 0.00 -0.16 0.00 0.00 57.90 57.71 3hlj n TYR 51 Cb 0.36 -0.01 0.31 0.00 -0.31 0.00 0.00 39.34 39.68 3hlj n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 3hlj h ASP 52 N 2.38 0.57 -0.59 7.72 2.03 -1.90 -1.81 116.42 124.83 3hlj h ASP 52 Ca 0.00 0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 3hlj h ASP 52 Cb 0.64 0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.17 3hlj h ASP 52 CO 0.00 0.15 0.00 0.00 -1.03 0.00 0.00 179.24 178.36 3hlj n GLN 53 N -4.90 4.07 -1.68 4.15 1.13 -1.18 -5.00 117.38 113.97 3hlj n GLN 53 Ca 0.22 -2.83 -0.44 0.00 -1.94 0.00 0.00 57.00 52.02 3hlj n GLN 53 Cb 0.60 -2.02 -0.02 0.00 0.11 0.00 0.00 30.24 28.91 3hlj n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hlj n ALA 54 N 0.87 1.09 -3.99 -1.58 0.00 -0.68 -4.68 120.51 111.54 3hlj n ALA 54 Ca 0.25 0.39 -0.31 0.00 0.00 0.00 0.00 53.44 53.77 3hlj n ALA 54 Cb 0.98 -2.25 -0.15 0.00 0.00 0.00 0.00 19.45 18.04 3hlj n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hlj s THR 55 N -0.57 2.31 0.50 0.00 2.01 -1.26 -4.93 115.64 113.71 3hlj s THR 55 Ca 0.62 -2.57 -0.20 0.00 0.31 0.00 0.00 61.69 59.84 3hlj s THR 55 Cb -0.62 -2.68 -0.07 0.00 0.01 0.00 0.00 72.50 69.13 3hlj s THR 55 CO 0.56 -0.66 1.09 -0.94 -0.69 0.00 0.00 174.62 173.98 3hlj s SER 56 N 0.61 6.10 0.00 3.53 1.04 -1.26 -0.83 113.70 122.88 3hlj s SER 56 Ca 0.13 2.06 0.00 0.00 0.48 0.00 0.00 55.95 58.62 3hlj s SER 56 Cb -0.21 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.34 3hlj s SER 56 CO -0.06 -0.96 0.00 0.18 0.98 0.00 0.00 173.24 173.38 3hlj n LEU 57 N -1.02 1.56 -3.47 2.42 4.77 0.67 -4.14 117.00 117.78 3hlj n LEU 57 Ca 0.10 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.94 3hlj n LEU 57 Cb 0.51 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 3hlj n LEU 57 CO 0.41 0.25 0.47 -0.60 -1.33 0.00 0.00 177.39 176.60 3hlj s ARG 58 N -1.99 1.11 -0.02 3.23 3.52 -1.20 -1.85 118.95 121.75 3hlj s ARG 58 Ca 0.00 -0.16 0.06 0.00 -0.13 0.00 0.00 55.73 55.50 3hlj s ARG 58 Cb 0.00 0.51 -0.01 0.00 -1.56 0.00 0.00 34.95 33.89 3hlj s ARG 58 CO 0.00 -0.43 -0.20 -1.50 -0.81 0.00 0.00 175.30 172.35 3hlj s ILE 59 N -2.63 1.63 -0.02 4.11 2.07 -0.16 -1.00 121.20 125.19 3hlj s ILE 59 Ca -0.03 -0.87 0.00 0.00 -1.41 0.00 0.00 60.65 58.34 3hlj s ILE 59 Cb -0.01 -1.36 0.03 0.00 0.13 0.00 0.00 42.46 41.25 3hlj s ILE 59 CO -0.04 0.46 0.02 -0.22 -1.91 0.00 0.00 174.94 173.26 3hlj s LEU 60 N -0.39 1.14 -0.48 8.50 2.96 -0.31 -1.16 118.68 128.94 3hlj s LEU 60 Ca 0.05 0.03 -0.23 0.00 -0.22 0.00 0.00 54.13 53.76 3hlj s LEU 60 Cb -0.09 -0.10 0.03 0.00 0.50 0.00 0.00 46.19 46.54 3hlj s LEU 60 CO -0.00 -0.12 0.82 0.21 -1.32 0.00 0.00 176.35 175.95 3hlj s ASN 61 N 1.01 6.38 0.00 3.68 3.84 -0.34 -0.33 114.94 129.17 3hlj s ASN 61 Ca -0.09 -0.23 0.19 0.00 0.21 0.00 0.00 52.86 52.94 3hlj s ASN 61 Cb -0.12 -2.40 0.52 0.00 -0.55 0.00 0.00 41.25 38.70 3hlj s ASN 61 CO -0.03 -1.01 1.43 -0.46 -2.79 0.00 0.00 177.10 174.25 3hlj n ASN 62 N 6.91 3.00 0.00 -4.21 0.23 -0.99 -0.82 115.26 119.37 3hlj n ASN 62 Ca 0.02 -1.97 0.00 0.00 -0.53 0.00 0.00 54.58 52.10 3hlj n ASN 62 Cb 0.48 -0.34 0.00 0.00 -2.08 0.00 0.00 39.78 37.84 3hlj n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hlj n GLY 63 N 1.40 1.39 0.00 4.83 0.00 -1.26 -4.78 105.19 106.77 3hlj n GLY 63 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3hlj n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hlj n HIS 64 N -2.00 0.00 -3.13 1.61 8.25 -1.26 -4.75 115.22 113.94 3hlj n HIS 64 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3hlj n HIS 64 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3hlj n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hlj n ALA 65 N -2.29 -0.05 -2.56 -1.41 0.00 -1.26 -4.87 120.51 108.06 3hlj n ALA 65 Ca 0.00 -0.05 -0.33 0.00 0.00 0.00 0.00 53.44 53.07 3hlj n ALA 65 Cb 0.48 0.04 -0.11 0.00 0.00 0.00 0.00 19.45 19.85 3hlj n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3hlj s PHE 66 N -8.09 2.85 -0.11 0.00 -0.12 -1.26 -2.36 117.98 108.89 3hlj s PHE 66 Ca 0.01 -0.05 0.03 0.00 -0.05 0.00 0.00 56.93 56.86 3hlj s PHE 66 Cb -0.00 -1.64 -0.01 0.00 -0.63 0.00 0.00 43.02 40.74 3hlj s PHE 66 CO 0.00 0.32 -0.20 -0.80 -0.05 0.00 0.00 175.22 174.49 3hlj s ASN 67 N -1.08 3.44 -0.33 1.98 0.01 0.55 -4.16 114.94 115.34 3hlj s ASN 67 Ca 0.14 -0.47 -0.15 0.00 -0.71 0.00 0.00 52.86 51.67 3hlj s ASN 67 Cb -0.11 -1.44 -0.01 0.00 0.41 0.00 0.00 41.25 40.10 3hlj s ASN 67 CO 0.04 0.17 0.38 -0.69 -1.51 0.00 0.00 177.10 175.49 3hlj s VAL 68 N 0.29 5.15 0.06 1.60 1.01 0.09 -1.17 120.40 127.43 3hlj s VAL 68 Ca -0.15 0.15 -0.10 0.00 0.00 0.00 0.00 61.98 61.89 3hlj s VAL 68 Cb -0.17 -3.82 -0.06 0.00 0.00 0.00 0.00 36.38 32.34 3hlj s VAL 68 CO 0.07 -0.07 0.38 -1.61 0.00 0.00 0.00 175.10 173.87 3hlj s GLU 69 N 2.07 3.74 0.20 2.72 2.02 -0.18 -1.31 118.70 127.97 3hlj s GLU 69 Ca 0.13 0.16 0.11 0.00 0.02 0.00 0.00 54.97 55.39 3hlj s GLU 69 Cb -0.16 -3.04 -0.04 0.00 0.10 0.00 0.00 34.13 30.99 3hlj s GLU 69 CO 0.12 0.59 -0.23 -0.06 0.02 0.00 0.00 175.26 175.69 3hlj s PHE 70 N -1.34 2.29 -0.41 1.61 0.40 -0.05 -0.24 117.98 120.23 3hlj s PHE 70 Ca 0.31 -0.36 -0.28 0.00 -0.60 0.00 0.00 56.93 56.00 3hlj s PHE 70 Cb -0.14 -1.12 -0.00 0.00 0.51 0.00 0.00 43.02 42.27 3hlj s PHE 70 CO 0.17 0.52 1.61 0.34 0.70 0.00 0.00 175.22 178.56 3hlj s ASP 71 N -2.76 6.04 -0.32 1.36 2.15 -0.01 -4.85 116.67 118.28 3hlj s ASP 71 Ca 0.22 0.93 0.08 0.00 0.43 0.00 0.00 52.55 54.20 3hlj s ASP 71 Cb -0.08 -2.53 0.56 0.00 -0.30 0.00 0.00 42.92 40.57 3hlj s ASP 71 CO 0.10 -1.65 1.59 -0.90 -0.17 0.00 0.00 175.17 174.14 3hlj n ASP 72 N 9.82 3.02 -0.39 -0.34 5.75 -1.26 -4.55 116.55 128.61 3hlj n ASP 72 Ca 0.19 -3.65 0.13 0.00 -0.01 0.00 0.00 54.79 51.45 3hlj n ASP 72 Cb 0.48 -0.69 0.38 0.00 -1.03 0.00 0.00 41.12 40.26 3hlj n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3hlj n SER 73 N -1.03 1.39 -4.03 -1.12 3.41 -1.26 -4.88 113.62 106.10 3hlj n SER 73 Ca 0.39 -1.21 -0.10 0.00 -0.26 0.00 0.00 58.87 57.69 3hlj n SER 73 Cb 1.21 0.11 -0.08 0.00 -0.26 0.00 0.00 64.21 65.19 3hlj n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3hlj s GLN 74 N -2.30 1.18 -1.25 4.33 -0.21 -1.26 -5.06 119.66 115.09 3hlj s GLN 74 Ca 0.29 -1.29 -0.13 0.00 0.02 0.00 0.00 55.36 54.25 3hlj s GLN 74 Cb 0.20 0.36 -0.06 0.00 1.00 0.00 0.00 33.01 34.51 3hlj s GLN 74 CO 0.45 -0.43 2.35 -0.25 -2.12 0.00 0.00 175.29 175.30 3hlj n ASP 75 N -0.23 5.26 -0.01 5.90 9.92 -1.26 -4.57 116.55 131.56 3hlj n ASP 75 Ca -0.05 -2.61 -0.18 0.00 -0.53 0.00 0.00 54.79 51.42 3hlj n ASP 75 Cb 0.63 -1.39 -0.14 0.00 -0.64 0.00 0.00 41.12 39.58 3hlj n ASP 75 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3hlj n LYS 76 N 5.13 0.73 -3.65 -1.24 5.02 -1.26 -4.77 118.16 118.11 3hlj n LYS 76 Ca 0.58 0.26 -0.28 0.00 -2.02 0.00 0.00 58.31 56.85 3hlj n LYS 76 Cb 0.29 -1.72 -0.16 0.00 -0.02 0.00 0.00 35.03 33.42 3hlj n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hlj s ALA 77 N -2.57 0.88 0.07 7.82 0.00 -1.26 -3.13 121.76 123.59 3hlj s ALA 77 Ca -0.19 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 50.90 3hlj s ALA 77 Cb 0.07 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.85 3hlj s ALA 77 CO 0.78 -1.42 -0.19 0.14 0.00 0.00 0.00 175.76 175.07 3hlj s VAL 78 N 1.94 1.50 -0.13 0.00 -7.23 -0.15 -0.67 120.40 115.66 3hlj s VAL 78 Ca 0.05 -1.35 -0.02 0.00 -1.81 0.00 0.00 61.98 58.85 3hlj s VAL 78 Cb -0.17 -1.36 -0.03 0.00 0.56 0.00 0.00 36.38 35.38 3hlj s VAL 78 CO -0.20 -0.03 -0.06 -0.22 -0.31 0.00 0.00 175.10 174.28 3hlj s LEU 79 N -1.61 3.16 0.00 1.32 2.96 0.45 -0.93 118.68 124.02 3hlj s LEU 79 Ca 0.04 -0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 53.80 3hlj s LEU 79 Cb -0.09 -1.74 0.01 0.00 0.50 0.00 0.00 46.19 44.87 3hlj s LEU 79 CO 0.03 0.22 0.32 2.29 -1.32 0.00 0.00 176.35 177.89 3hlj n LYS 80 N 3.20 0.46 0.00 1.98 2.85 -0.52 -0.86 118.16 125.27 3hlj n LYS 80 Ca -0.18 -1.60 0.00 0.00 -1.05 0.00 0.00 58.31 55.48 3hlj n LYS 80 Cb 0.53 1.61 0.00 0.00 -0.65 0.00 0.00 35.03 36.52 3hlj n LYS 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3hlj n GLY 81 N -0.34 1.00 7.00 2.58 0.00 -1.26 -0.92 105.19 113.25 3hlj n GLY 81 Ca -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3hlj n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hlj n GLY 82 N 0.00 3.10 0.39 -0.02 0.00 -0.54 -0.77 105.19 107.35 3hlj n GLY 82 Ca 0.00 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 45.99 3hlj n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hlj n PRO 83 N 14.00 1.51 -3.49 1.61 -0.04 -1.26 -3.27 135.00 144.06 3hlj n PRO 83 Ca 0.00 -0.77 -0.35 0.00 -0.04 0.00 0.00 63.50 62.34 3hlj n PRO 83 Cb 0.00 -1.38 -0.06 0.00 -0.04 0.00 0.00 33.50 32.03 3hlj n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hlj s LEU 84 N -1.61 4.36 -0.11 1.53 1.43 0.05 -4.99 118.68 119.34 3hlj s LEU 84 Ca 0.32 0.91 0.17 0.00 -1.03 0.00 0.00 54.13 54.50 3hlj s LEU 84 Cb 0.17 -3.03 -0.24 0.00 0.03 0.00 0.00 46.19 43.11 3hlj s LEU 84 CO 0.26 0.17 0.35 0.47 0.23 0.00 0.00 176.35 177.82 3hlj n ASP 85 N 0.98 0.32 -4.78 2.29 8.00 -1.26 -4.17 116.55 117.93 3hlj n ASP 85 Ca -0.08 0.15 -0.22 0.00 0.71 0.00 0.00 54.79 55.35 3hlj n ASP 85 Cb 0.52 0.73 0.09 0.00 -0.02 0.00 0.00 41.12 42.44 3hlj n ASP 85 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3hlj s GLY 86 N -5.22 1.75 -0.19 0.44 0.00 -1.26 -4.97 107.32 97.88 3hlj s GLY 86 Ca -0.08 -1.86 -0.10 0.00 0.00 0.00 0.00 44.72 42.69 3hlj s GLY 86 CO 0.83 -1.32 0.14 -1.59 0.00 0.00 0.00 173.10 171.16 3hlj s THR 87 N -3.00 5.41 -0.12 0.90 2.01 -1.26 -4.52 115.64 115.07 3hlj s THR 87 Ca 0.65 0.22 0.03 0.00 0.31 0.00 0.00 61.69 62.90 3hlj s THR 87 Cb -0.05 -3.47 0.00 0.00 0.01 0.00 0.00 72.50 68.99 3hlj s THR 87 CO 0.43 0.46 -0.23 -0.31 -0.69 0.00 0.00 174.62 174.28 3hlj s TYR 88 N 0.19 2.61 -0.07 4.92 1.51 -0.04 -1.32 117.35 125.15 3hlj s TYR 88 Ca 0.09 -1.17 -0.20 0.00 -1.01 0.00 0.00 57.07 54.78 3hlj s TYR 88 Cb -0.11 -1.76 -0.04 0.00 -0.11 0.00 0.00 41.96 39.94 3hlj s TYR 88 CO -0.01 -0.50 0.55 1.03 -1.11 0.00 0.00 175.55 175.51 3hlj s ARG 89 N 0.55 4.34 -0.01 -0.62 0.52 0.01 -0.41 118.95 123.32 3hlj s ARG 89 Ca -0.14 0.62 -0.30 0.00 -0.52 0.00 0.00 55.73 55.39 3hlj s ARG 89 Cb -0.17 -3.40 -0.07 0.00 0.52 0.00 0.00 34.95 31.83 3hlj s ARG 89 CO 0.04 0.22 1.72 -1.17 0.02 0.00 0.00 175.30 176.12 3hlj s LEU 90 N 0.37 4.35 -0.23 2.53 2.96 0.16 -1.27 118.68 127.56 3hlj s LEU 90 Ca 0.30 2.37 0.00 0.00 -0.22 0.00 0.00 54.13 56.58 3hlj s LEU 90 Cb -0.17 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 42.84 3hlj s LEU 90 CO 0.14 -0.94 -0.21 0.00 -1.32 0.00 0.00 176.35 174.01 3hlj n ILE 91 N 5.34 1.31 -3.62 6.68 3.06 -0.33 -4.45 119.36 127.35 3hlj n ILE 91 Ca 0.17 -0.48 -0.08 0.00 -2.50 0.00 0.00 62.75 59.87 3hlj n ILE 91 Cb 0.42 -1.37 -0.02 0.00 0.54 0.00 0.00 39.64 39.21 3hlj n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3hlj s GLN 92 N -2.45 1.25 0.13 9.51 1.03 -1.22 -0.87 119.66 127.03 3hlj s GLN 92 Ca -0.31 -0.59 0.05 0.00 0.04 0.00 0.00 55.36 54.55 3hlj s GLN 92 Cb 0.09 0.49 -0.04 0.00 0.03 0.00 0.00 33.01 33.58 3hlj s GLN 92 CO 0.51 -0.56 -0.13 -0.59 -2.54 0.00 0.00 175.29 171.98 3hlj s PHE 93 N -3.51 1.34 0.33 9.60 -0.12 -0.43 -0.87 117.98 124.33 3hlj s PHE 93 Ca 0.07 -0.61 -0.09 0.00 -0.05 0.00 0.00 56.93 56.25 3hlj s PHE 93 Cb -0.02 -0.69 0.02 0.00 -0.63 0.00 0.00 43.02 41.69 3hlj s PHE 93 CO -0.04 0.12 0.57 -3.38 -0.05 0.00 0.00 175.22 172.45 3hlj s HIS 94 N -2.48 0.61 0.17 3.49 -3.43 -0.86 -0.73 115.29 112.06 3hlj s HIS 94 Ca 0.11 -1.00 0.07 0.00 -0.80 0.00 0.00 55.06 53.43 3hlj s HIS 94 Cb -0.03 0.25 -0.04 0.00 -1.43 0.00 0.00 32.58 31.33 3hlj s HIS 94 CO 0.02 -1.23 -0.14 -0.06 -2.00 0.00 0.00 174.74 171.34 3hlj s PHE 95 N -3.09 1.53 -0.02 0.38 0.40 -1.26 -0.79 117.98 115.13 3hlj s PHE 95 Ca 0.24 -0.61 0.07 0.00 -0.60 0.00 0.00 56.93 56.03 3hlj s PHE 95 Cb -0.02 -0.75 -0.02 0.00 0.51 0.00 0.00 43.02 42.74 3hlj s PHE 95 CO 0.15 0.24 -0.24 -1.01 0.70 0.00 0.00 175.22 175.06 3hlj s HIS 96 N -2.79 2.40 0.25 0.36 3.76 -0.14 -4.70 115.29 114.43 3hlj s HIS 96 Ca 0.17 -0.38 -0.11 0.00 -0.15 0.00 0.00 55.06 54.59 3hlj s HIS 96 Cb -0.01 -1.52 -0.01 0.00 1.11 0.00 0.00 32.58 32.14 3hlj s HIS 96 CO 0.04 0.01 0.43 1.67 -0.85 0.00 0.00 174.74 176.04 3hlj s TRP 97 N -0.64 0.51 0.55 1.40 -2.14 -1.22 -0.72 118.94 116.67 3hlj s TRP 97 Ca 0.10 -0.84 0.06 0.00 2.66 0.00 0.00 56.10 58.08 3hlj s TRP 97 Cb -0.10 0.08 0.04 0.00 -3.10 0.00 0.00 33.47 30.39 3hlj s TRP 97 CO -0.01 -0.96 0.46 0.20 -2.66 0.00 0.00 176.95 173.99 3hlj s GLY 98 N -3.05 2.27 0.22 3.67 0.00 -1.16 -1.24 107.32 108.04 3hlj s GLY 98 Ca 0.25 -1.41 0.24 0.00 0.00 0.00 0.00 44.72 43.80 3hlj s GLY 98 CO 0.10 -1.90 1.45 1.48 0.00 0.00 0.00 173.10 174.23 3hlj h SER 99 N 0.67 0.00 -5.06 1.64 4.64 -1.89 -3.38 113.55 110.16 3hlj h SER 99 Ca -0.36 -0.08 -0.16 0.00 -0.47 0.00 0.00 61.79 60.73 3hlj h SER 99 Cb 1.30 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.21 3hlj h SER 99 CO 0.55 0.04 -0.69 -0.76 -0.87 0.00 0.00 176.83 175.09 3hlj s LEU 100 N -4.92 2.39 0.65 5.97 1.43 -1.26 -5.05 118.68 117.88 3hlj s LEU 100 Ca 0.06 -0.79 0.42 0.00 -1.03 0.00 0.00 54.13 52.80 3hlj s LEU 100 Cb 0.11 0.12 2.28 0.00 0.03 0.00 0.00 46.19 48.73 3hlj s LEU 100 CO 0.69 -0.45 2.33 0.44 0.23 0.00 0.00 176.35 179.58 3hlj h ASP 101 N 3.77 0.00 -0.05 2.29 3.32 -1.92 -2.81 116.42 121.03 3hlj h ASP 101 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 3hlj h ASP 101 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 3hlj h ASP 101 CO 0.55 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.68 3hlj n GLY 102 N -0.99 -0.51 3.52 2.75 0.00 -1.26 -3.49 105.19 105.21 3hlj n GLY 102 Ca -0.03 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 3hlj n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hlj s GLN 103 N -1.94 1.41 0.00 1.61 -2.07 -1.06 -4.68 119.66 112.93 3hlj s GLN 103 Ca 0.33 -1.09 0.00 0.00 -1.82 0.00 0.00 55.36 52.78 3hlj s GLN 103 Cb 0.16 0.47 0.00 0.00 -1.09 0.00 0.00 33.01 32.56 3hlj s GLN 103 CO 0.27 -0.58 0.00 0.41 -1.32 0.00 0.00 175.29 174.07 3hlj n GLY 104 N -0.33 2.07 3.79 2.60 0.00 -1.04 -3.11 105.19 109.16 3hlj n GLY 104 Ca -0.06 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 3hlj n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hlj s SER 105 N 0.00 5.33 -0.16 1.61 1.04 -0.39 -3.40 113.70 117.74 3hlj s SER 105 Ca 0.00 1.84 -0.12 0.00 0.48 0.00 0.00 55.95 58.15 3hlj s SER 105 Cb 0.00 -2.53 -0.06 0.00 0.10 0.00 0.00 66.02 63.53 3hlj s SER 105 CO 0.00 -1.48 -0.16 -0.62 0.98 0.00 0.00 173.24 171.97 3hlj n GLU 106 N -2.53 0.48 -2.14 4.02 1.02 -1.26 -4.84 120.64 115.39 3hlj n GLU 106 Ca 0.09 0.48 -0.36 0.00 -0.02 0.00 0.00 57.16 57.35 3hlj n GLU 106 Cb 0.53 -1.66 0.02 0.00 -0.02 0.00 0.00 31.44 30.31 3hlj n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3hlj s HIS 107 N -2.37 2.56 0.21 -0.32 3.76 -1.26 -4.23 115.29 113.64 3hlj s HIS 107 Ca -0.20 1.53 0.09 0.00 -0.15 0.00 0.00 55.06 56.33 3hlj s HIS 107 Cb 0.03 -3.40 -0.05 0.00 1.11 0.00 0.00 32.58 30.28 3hlj s HIS 107 CO 0.31 -1.88 -0.16 0.95 -0.85 0.00 0.00 174.74 173.11 3hlj s THR 108 N -1.66 1.89 -0.23 1.30 -4.23 -1.17 -4.69 115.64 106.86 3hlj s THR 108 Ca 0.74 -2.18 0.02 0.00 -1.18 0.00 0.00 61.69 59.08 3hlj s THR 108 Cb -0.28 -2.05 0.05 0.00 1.34 0.00 0.00 72.50 71.57 3hlj s THR 108 CO 0.31 -0.50 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.11 3hlj s VAL 109 N -2.68 1.81 -1.53 2.29 1.01 -0.71 -0.29 120.40 120.30 3hlj s VAL 109 Ca 0.22 -1.29 -0.09 0.00 0.00 0.00 0.00 61.98 60.82 3hlj s VAL 109 Cb -0.03 -1.94 0.07 0.00 0.00 0.00 0.00 36.38 34.48 3hlj s VAL 109 CO 0.08 0.03 0.68 0.47 0.00 0.00 0.00 175.10 176.36 3hlj n ASP 110 N 4.59 -2.28 0.00 3.32 8.00 0.30 -0.90 116.55 129.57 3hlj n ASP 110 Ca -0.14 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.41 3hlj n ASP 110 Cb 0.44 -3.18 0.00 0.00 -0.02 0.00 0.00 41.12 38.36 3hlj n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hlj n LYS 111 N -4.44 0.00 -2.53 -1.24 4.76 -1.26 -4.99 118.16 108.45 3hlj n LYS 111 Ca -0.11 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.91 3hlj n LYS 111 Cb 0.59 -2.86 -0.03 0.00 -1.84 0.00 0.00 35.03 30.89 3hlj n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3hlj s LYS 112 N -0.21 4.49 -0.14 1.97 2.20 -0.08 -5.00 119.74 122.97 3hlj s LYS 112 Ca 0.00 1.64 -0.08 0.00 -0.36 0.00 0.00 55.97 57.16 3hlj s LYS 112 Cb 0.00 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.89 3hlj s LYS 112 CO 0.00 -0.15 0.15 0.15 -0.36 0.00 0.00 175.35 175.14 3hlj s LYS 113 N 0.91 3.73 0.53 4.03 1.02 -1.26 -1.74 119.74 126.96 3hlj s LYS 113 Ca 0.55 -0.13 0.02 0.00 0.02 0.00 0.00 55.97 56.43 3hlj s LYS 113 Cb -0.26 -3.27 0.03 0.00 -0.52 0.00 0.00 37.83 33.80 3hlj s LYS 113 CO 0.29 0.60 0.75 0.71 -0.92 0.00 0.00 175.35 176.78 3hlj s TYR 114 N -0.53 2.89 0.37 3.18 1.51 -1.26 -4.67 117.35 118.84 3hlj s TYR 114 Ca 0.13 -0.02 0.20 0.00 -1.01 0.00 0.00 57.07 56.37 3hlj s TYR 114 Cb -0.12 -2.68 1.06 0.00 -0.11 0.00 0.00 41.96 40.11 3hlj s TYR 114 CO 0.02 -0.78 1.94 0.00 -1.11 0.00 0.00 175.55 175.62 3hlj h ALA 115 N 0.15 1.34 -2.44 3.71 0.00 -1.35 -0.95 119.26 119.72 3hlj h ALA 115 Ca -0.42 -0.21 0.16 0.00 0.00 0.00 0.00 54.91 54.43 3hlj h ALA 115 Cb 1.29 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 3hlj h ALA 115 CO 0.52 0.29 0.46 0.00 0.00 0.00 0.00 179.25 180.53 3hlj s ALA 116 N -4.18 -1.57 -0.09 0.00 0.00 -1.14 -3.00 121.76 111.78 3hlj s ALA 116 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.89 3hlj s ALA 116 Cb 0.14 0.67 0.04 0.00 0.00 0.00 0.00 23.12 23.97 3hlj s ALA 116 CO 0.66 -1.05 0.21 -2.00 0.00 0.00 0.00 175.76 173.59 3hlj s GLU 117 N -3.20 0.17 -0.12 0.00 2.12 0.10 -0.96 118.70 116.80 3hlj s GLU 117 Ca 0.13 0.48 -0.14 0.00 0.36 0.00 0.00 54.97 55.80 3hlj s GLU 117 Cb -0.02 -0.14 -0.05 0.00 0.26 0.00 0.00 34.13 34.18 3hlj s GLU 117 CO 0.03 -0.17 0.33 -1.17 -0.54 0.00 0.00 175.26 173.75 3hlj s LEU 118 N 1.25 4.30 -0.20 2.70 2.96 0.17 -0.96 118.68 128.89 3hlj s LEU 118 Ca -0.09 0.63 0.01 0.00 -0.22 0.00 0.00 54.13 54.47 3hlj s LEU 118 Cb -0.11 -2.45 0.03 0.00 0.50 0.00 0.00 46.19 44.17 3hlj s LEU 118 CO -0.08 0.14 -0.17 -1.00 -1.32 0.00 0.00 176.35 173.92 3hlj s HIS 119 N 0.15 2.93 -0.37 5.38 3.76 0.03 -0.99 115.29 126.18 3hlj s HIS 119 Ca 0.19 -1.83 -0.13 0.00 -0.15 0.00 0.00 55.06 53.14 3hlj s HIS 119 Cb -0.14 -1.93 0.00 0.00 1.11 0.00 0.00 32.58 31.62 3hlj s HIS 119 CO 0.07 -0.82 0.25 -0.51 -0.85 0.00 0.00 174.74 172.87 3hlj s LEU 120 N 1.24 4.73 -0.21 0.89 1.43 -0.32 -2.04 118.68 124.41 3hlj s LEU 120 Ca 0.01 -0.67 -0.12 0.00 -1.03 0.00 0.00 54.13 52.32 3hlj s LEU 120 Cb -0.15 -2.12 -0.05 0.00 0.03 0.00 0.00 46.19 43.90 3hlj s LEU 120 CO -0.10 -0.33 0.20 -0.69 0.23 0.00 0.00 176.35 175.66 3hlj s VAL 121 N 1.68 5.35 0.03 -1.59 1.01 -0.05 -1.24 120.40 125.59 3hlj s VAL 121 Ca 0.05 0.30 0.04 0.00 0.00 0.00 0.00 61.98 62.38 3hlj s VAL 121 Cb -0.18 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 3hlj s VAL 121 CO 0.10 0.36 -0.13 -1.00 0.00 0.00 0.00 175.10 174.43 3hlj s HIS 122 N 0.82 1.15 0.04 5.22 3.76 -0.37 -1.18 115.29 124.72 3hlj s HIS 122 Ca 0.10 -0.33 0.09 0.00 -0.15 0.00 0.00 55.06 54.77 3hlj s HIS 122 Cb -0.13 -0.69 -0.03 0.00 1.11 0.00 0.00 32.58 32.84 3hlj s HIS 122 CO 0.03 0.02 -0.26 1.67 -0.85 0.00 0.00 174.74 175.35 3hlj s TRP 123 N -0.77 2.35 -0.10 1.40 1.48 -0.39 -0.80 118.94 122.12 3hlj s TRP 123 Ca 0.01 -0.40 -0.29 0.00 -1.06 0.00 0.00 56.10 54.36 3hlj s TRP 123 Cb -0.07 -1.41 -0.05 0.00 -1.16 0.00 0.00 33.47 30.78 3hlj s TRP 123 CO 0.01 0.12 1.69 1.21 -4.06 0.00 0.00 176.95 175.92 3hlj s ASN 124 N -1.19 6.53 0.63 -2.66 3.84 0.62 -0.81 114.94 121.90 3hlj s ASN 124 Ca 0.12 2.10 0.40 0.00 0.21 0.00 0.00 52.86 55.68 3hlj s ASN 124 Cb -0.10 -2.53 2.12 0.00 -0.55 0.00 0.00 41.25 40.19 3hlj s ASN 124 CO 0.02 -1.06 2.28 0.71 -2.79 0.00 0.00 177.10 176.26 3hlj h THR 125 N 5.79 0.12 0.00 -5.21 1.35 -1.55 -1.30 112.91 112.11 3hlj h THR 125 Ca -0.39 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 3hlj h THR 125 Cb 1.18 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 3hlj h THR 125 CO 0.96 0.01 0.00 0.07 -0.25 0.00 0.00 175.52 176.32 3hlj h LYS 127 N 0.00 0.00 -0.02 4.72 2.10 -1.90 -2.26 116.57 119.20 3hlj h LYS 127 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3hlj h LYS 127 Cb 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 3hlj h LYS 127 CO 0.00 0.00 -0.19 0.66 -2.00 0.00 0.00 179.45 177.93 3hlj n TYR 128 N -2.84 0.00 0.00 0.07 4.01 -0.49 -4.99 117.16 112.92 3hlj n TYR 128 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 3hlj n TYR 128 Cb 0.13 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 3hlj n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hlj n GLY 129 N 1.35 2.04 3.51 2.72 0.00 -0.85 -4.51 105.19 109.46 3hlj n GLY 129 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 3hlj n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3hlj s ASP 130 N 0.00 -0.22 0.19 1.61 1.47 -1.26 -5.06 116.67 113.41 3hlj s ASP 130 Ca 0.00 -0.55 -0.12 0.00 1.18 0.00 0.00 52.55 53.06 3hlj s ASP 130 Cb 0.00 0.57 0.16 0.00 -0.34 0.00 0.00 42.92 43.31 3hlj s ASP 130 CO 0.00 -1.05 1.82 0.15 0.68 0.00 0.00 175.17 176.77 3hlj h PHE 131 N 2.23 0.64 -0.74 2.11 3.57 -1.95 -1.00 116.94 121.81 3hlj h PHE 131 Ca -0.29 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.23 3hlj h PHE 131 Cb 1.26 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.76 3hlj h PHE 131 CO 0.36 0.34 0.44 0.78 -2.23 0.00 0.00 178.31 178.00 3hlj h GLY 132 N 0.67 1.07 1.18 2.40 0.00 -1.97 -1.51 103.07 104.91 3hlj h GLY 132 Ca 0.25 -0.44 -0.27 0.00 0.00 0.00 0.00 47.33 46.86 3hlj h GLY 132 CO -0.13 0.43 -1.08 0.50 0.00 0.00 0.00 176.54 176.26 3hlj h LYS 133 N 1.02 0.66 -0.89 4.80 1.79 -1.80 -3.32 116.57 118.84 3hlj h LYS 133 Ca 0.27 -0.76 0.06 0.00 -2.18 0.00 0.00 60.65 58.03 3hlj h LYS 133 Cb -0.03 0.23 -0.06 0.00 -1.58 0.00 0.00 32.23 30.79 3hlj h LYS 133 CO -0.05 1.33 0.58 0.00 -1.08 0.00 0.00 179.45 180.23 3hlj h ALA 134 N 0.36 1.52 0.00 3.86 0.00 -0.58 -2.33 119.26 122.08 3hlj h ALA 134 Ca -0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3hlj h ALA 134 Cb 1.74 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3hlj h ALA 134 CO 0.21 0.34 0.00 1.33 0.00 0.00 0.00 179.25 181.13 3hlj n VAL 135 N -4.49 1.05 1.44 0.00 0.24 -0.62 -1.78 118.33 114.17 3hlj n VAL 135 Ca 0.13 0.36 0.14 0.00 -2.04 0.00 0.00 64.34 62.93 3hlj n VAL 135 Cb 0.20 -1.26 0.57 0.00 -1.47 0.00 0.00 33.84 31.88 3hlj n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hlj n GLN 136 N -1.96 0.96 -4.77 7.34 6.02 -0.88 -4.65 117.38 119.45 3hlj n GLN 136 Ca 0.02 -0.43 -0.32 0.00 -0.01 0.00 0.00 57.00 56.26 3hlj n GLN 136 Cb 0.15 -1.49 -0.13 0.00 1.02 0.00 0.00 30.24 29.79 3hlj n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3hlj s GLN 137 N -2.34 2.38 0.48 -1.09 -1.52 -0.73 -5.02 119.66 111.82 3hlj s GLN 137 Ca 0.31 -0.79 0.32 0.00 -1.95 0.00 0.00 55.36 53.26 3hlj s GLN 137 Cb 0.20 -2.34 1.50 0.00 -0.22 0.00 0.00 33.01 32.16 3hlj s GLN 137 CO 0.45 0.60 1.97 -1.00 -0.25 0.00 0.00 175.29 177.05 3hlj h PRO 138 N 4.99 0.00 -0.18 2.91 0.13 -1.86 -2.34 132.00 135.65 3hlj h PRO 138 Ca -0.47 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.55 3hlj h PRO 138 Cb 1.15 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.21 3hlj h PRO 138 CO 0.50 0.00 -0.44 -0.40 -0.23 0.00 0.00 178.00 177.43 3hlj n ASP 139 N -2.77 2.33 0.07 1.44 5.75 -1.26 -4.29 116.55 117.81 3hlj n ASP 139 Ca -0.00 -3.87 -0.16 0.00 -0.01 0.00 0.00 54.79 50.75 3hlj n ASP 139 Cb 0.20 -0.53 -0.07 0.00 -1.03 0.00 0.00 41.12 39.68 3hlj n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3hlj h GLY 140 N 1.16 0.55 -3.12 6.12 0.00 -1.17 -3.43 103.07 103.17 3hlj h GLY 140 Ca 0.10 -0.99 -0.61 0.00 0.00 0.00 0.00 47.33 45.82 3hlj h GLY 140 CO 0.19 0.88 -0.81 1.08 0.00 0.00 0.00 176.54 177.88 3hlj s LEU 141 N -7.79 2.45 -0.13 3.11 1.43 0.28 -0.28 118.68 117.75 3hlj s LEU 141 Ca -0.07 -0.88 -0.01 0.00 -1.03 0.00 0.00 54.13 52.14 3hlj s LEU 141 Cb 0.08 -1.07 0.03 0.00 0.03 0.00 0.00 46.19 45.26 3hlj s LEU 141 CO 0.89 0.07 -0.06 0.00 0.23 0.00 0.00 176.35 177.47 3hlj s ALA 142 N -1.86 1.34 -0.21 4.21 0.00 0.02 -0.95 121.76 124.32 3hlj s ALA 142 Ca 0.20 -0.63 -0.04 0.00 0.00 0.00 0.00 51.96 51.50 3hlj s ALA 142 Cb -0.07 -0.98 -0.02 0.00 0.00 0.00 0.00 23.12 22.05 3hlj s ALA 142 CO 0.09 -0.56 -0.03 0.08 0.00 0.00 0.00 175.76 175.35 3hlj s VAL 143 N 1.70 3.58 -0.35 0.00 1.01 -0.96 -1.24 120.40 124.15 3hlj s VAL 143 Ca 0.03 -0.43 -0.19 0.00 0.00 0.00 0.00 61.98 61.39 3hlj s VAL 143 Cb -0.13 -2.62 -0.00 0.00 0.00 0.00 0.00 36.38 33.63 3hlj s VAL 143 CO -0.08 0.43 0.58 -0.22 0.00 0.00 0.00 175.10 175.81 3hlj s LEU 144 N 1.21 4.29 -0.16 3.92 2.96 -0.38 -1.52 118.68 129.00 3hlj s LEU 144 Ca 0.03 0.09 -0.07 0.00 -0.22 0.00 0.00 54.13 53.96 3hlj s LEU 144 Cb -0.14 -2.69 -0.04 0.00 0.50 0.00 0.00 46.19 43.81 3hlj s LEU 144 CO -0.00 -0.53 0.07 -0.83 -1.32 0.00 0.00 176.35 173.74 3hlj s GLY 145 N 1.76 1.96 -0.06 7.98 0.00 0.41 -1.17 107.32 118.20 3hlj s GLY 145 Ca 0.22 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.21 3hlj s GLY 145 CO 0.14 -0.11 -0.05 -0.42 0.00 0.00 0.00 173.10 172.66 3hlj s ILE 146 N -0.08 0.64 0.34 0.90 1.01 -0.16 -0.94 121.20 122.90 3hlj s ILE 146 Ca 0.07 -0.13 -0.26 0.00 0.00 0.00 0.00 60.65 60.33 3hlj s ILE 146 Cb -0.12 -0.68 -0.09 0.00 0.01 0.00 0.00 42.46 41.58 3hlj s ILE 146 CO 0.01 0.27 1.00 -0.36 0.00 0.00 0.00 174.94 175.86 3hlj s PHE 147 N 1.22 3.55 -0.17 3.97 0.08 -1.26 -0.66 117.98 124.71 3hlj s PHE 147 Ca -0.06 1.73 -0.02 0.00 0.12 0.00 0.00 56.93 58.71 3hlj s PHE 147 Cb -0.14 -3.05 -0.01 0.00 -0.57 0.00 0.00 43.02 39.26 3hlj s PHE 147 CO -0.02 -0.17 -0.10 -0.51 -0.10 0.00 0.00 175.22 174.33 3hlj s LEU 148 N -2.12 2.74 0.18 -0.37 1.02 -0.14 -0.73 118.68 119.26 3hlj s LEU 148 Ca 0.51 -0.38 0.07 0.00 0.02 0.00 0.00 54.13 54.36 3hlj s LEU 148 Cb -0.22 -1.65 -0.04 0.00 0.02 0.00 0.00 46.19 44.30 3hlj s LEU 148 CO 0.28 0.08 0.02 -1.59 0.02 0.00 0.00 176.35 175.16 3hlj s LYS 149 N 0.87 2.47 -0.19 1.70 -2.85 -0.24 -1.67 119.74 119.83 3hlj s LYS 149 Ca -0.03 -1.09 -0.20 0.00 -1.00 0.00 0.00 55.97 53.66 3hlj s LYS 149 Cb -0.15 -2.39 -0.03 0.00 -2.06 0.00 0.00 37.83 33.20 3hlj s LYS 149 CO 0.00 0.45 0.57 0.08 0.10 0.00 0.00 175.35 176.56 3hlj s VAL 150 N -1.76 5.07 0.00 1.79 1.01 -1.26 -0.79 120.40 124.46 3hlj s VAL 150 Ca 0.28 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.33 3hlj s VAL 150 Cb -0.09 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.40 3hlj s VAL 150 CO 0.19 0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.06 3hlj n GLY 151 N 3.79 0.98 3.78 4.51 0.00 0.58 -4.90 105.19 113.94 3hlj n GLY 151 Ca -0.03 0.42 -0.34 0.00 0.00 0.00 0.00 46.02 46.07 3hlj n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hlj s SER 152 N 2.00 5.40 0.66 1.61 1.04 -1.26 -3.99 113.70 119.16 3hlj s SER 152 Ca 0.00 2.01 -0.17 0.00 0.48 0.00 0.00 55.95 58.28 3hlj s SER 152 Cb 0.00 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.56 3hlj s SER 152 CO 0.00 -1.43 1.22 0.00 0.98 0.00 0.00 173.24 174.01 3hlj s ALA 153 N -2.20 2.34 -0.47 5.32 0.00 -1.26 -2.44 121.76 123.06 3hlj s ALA 153 Ca 0.68 0.97 -0.13 0.00 0.00 0.00 0.00 51.96 53.48 3hlj s ALA 153 Cb -0.21 -3.47 0.09 0.00 0.00 0.00 0.00 23.12 19.54 3hlj s ALA 153 CO 0.36 -1.53 0.36 0.21 0.00 0.00 0.00 175.76 175.17 3hlj s LYS 154 N -3.62 2.81 0.39 0.00 2.47 -1.21 -4.76 119.74 115.82 3hlj s LYS 154 Ca 0.76 -1.49 0.08 0.00 -1.56 0.00 0.00 55.97 53.76 3hlj s LYS 154 Cb -0.31 -4.02 0.84 0.00 -1.46 0.00 0.00 37.83 32.88 3hlj s LYS 154 CO 0.40 -1.07 2.00 -1.35 0.16 0.00 0.00 175.35 175.48 3hlj h PRO 155 N 8.63 0.59 0.00 4.03 0.11 -1.91 -1.40 132.00 142.05 3hlj h PRO 155 Ca -0.26 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3hlj h PRO 155 Cb 1.10 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3hlj h PRO 155 CO 0.86 0.39 0.00 0.41 -0.21 0.00 0.00 178.00 179.46 3hlj n GLY 156 N -1.47 -1.09 0.09 -0.55 0.00 -1.26 -1.68 105.19 99.24 3hlj n GLY 156 Ca 0.08 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.32 3hlj n GLY 156 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hlj h LEU 157 N 0.00 0.00 -1.28 0.99 5.85 -1.45 -3.42 115.31 116.01 3hlj h LEU 157 Ca 0.00 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 3hlj h LEU 157 Cb 0.23 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3hlj h LEU 157 CO 0.00 0.05 0.07 -0.61 -0.34 0.00 0.00 178.44 177.61 3hlj h GLN 158 N 0.00 0.56 -0.68 1.25 5.75 -1.32 -1.65 115.11 119.01 3hlj h GLN 158 Ca 0.00 -0.10 0.02 0.00 -0.15 0.00 0.00 58.65 58.43 3hlj h GLN 158 Cb 0.91 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 29.33 3hlj h GLN 158 CO 0.00 0.53 0.45 -0.22 -2.65 0.00 0.00 178.83 176.95 3hlj h LYS 159 N 0.55 0.83 0.05 1.69 1.63 -1.80 -0.27 116.57 119.25 3hlj h LYS 159 Ca 0.13 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.87 3hlj h LYS 159 Cb 0.24 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 3hlj h LYS 159 CO -0.00 0.55 -0.02 0.28 -3.45 0.00 0.00 179.45 176.81 3hlj h VAL 160 N 0.86 1.17 -0.99 2.00 2.07 -1.62 -3.18 116.25 116.56 3hlj h VAL 160 Ca 0.27 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 67.09 3hlj h VAL 160 Cb 0.01 1.66 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 3hlj h VAL 160 CO -0.07 0.19 0.64 0.58 0.02 0.00 0.00 177.57 178.93 3hlj h VAL 161 N -0.39 1.17 0.00 2.57 2.07 -0.97 -2.74 116.25 117.96 3hlj h VAL 161 Ca -0.01 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 3hlj h VAL 161 Cb 0.35 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 3hlj h VAL 161 CO 0.01 0.23 -0.22 0.44 0.02 0.00 0.00 177.57 178.05 3hlj h ASP 162 N 1.25 0.00 0.50 0.57 3.32 -1.07 -2.79 116.42 118.20 3hlj h ASP 162 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 3hlj h ASP 162 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3hlj h ASP 162 CO -0.12 0.22 -0.47 0.55 -1.72 0.00 0.00 179.24 177.70 3hlj n VAL 163 N -3.69 0.00 0.12 -1.35 3.14 -1.04 -4.39 118.33 111.13 3hlj n VAL 163 Ca -0.01 -0.01 0.05 0.00 -2.96 0.00 0.00 64.34 61.41 3hlj n VAL 163 Cb 0.34 0.23 0.50 0.00 -1.06 0.00 0.00 33.84 33.85 3hlj n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3hlj h LEU 164 N 0.07 0.24 -2.37 6.55 3.38 -1.48 -1.67 115.31 120.04 3hlj h LEU 164 Ca 0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hlj h LEU 164 Cb 0.50 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3hlj h LEU 164 CO 0.00 0.22 -0.01 -2.24 0.09 0.00 0.00 178.44 176.50 3hlj h ASP 165 N 0.28 0.00 1.24 -0.43 2.03 -1.80 -1.80 116.42 115.94 3hlj h ASP 165 Ca 0.07 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.37 3hlj h ASP 165 Cb 0.05 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.55 3hlj h ASP 165 CO -0.01 0.01 -0.19 -1.54 -1.03 0.00 0.00 179.24 176.48 3hlj n SER 166 N -3.13 0.71 -2.27 4.15 3.41 -0.63 -3.98 113.62 111.89 3hlj n SER 166 Ca -0.02 0.42 -0.19 0.00 -0.26 0.00 0.00 58.87 58.82 3hlj n SER 166 Cb 0.17 -0.47 0.02 0.00 -0.26 0.00 0.00 64.21 63.67 3hlj n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3hlj n ILE 167 N -2.14 2.20 -0.32 -1.33 -5.35 -0.68 -4.72 119.36 107.02 3hlj n ILE 167 Ca 0.05 -4.02 0.00 0.00 -0.27 0.00 0.00 62.75 58.52 3hlj n ILE 167 Cb 0.42 -0.61 0.14 0.00 -1.74 0.00 0.00 39.64 37.85 3hlj n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3hlj h LYS 168 N 2.35 0.99 -6.15 6.28 3.64 -1.67 -3.42 116.57 118.60 3hlj h LYS 168 Ca 0.24 -0.06 -0.59 0.00 -1.27 0.00 0.00 60.65 58.98 3hlj h LYS 168 Cb 1.39 -0.22 -0.12 0.00 -0.41 0.00 0.00 32.23 32.87 3hlj h LYS 168 CO 0.65 0.66 -0.69 0.95 -2.27 0.00 0.00 179.45 178.75 3hlj s THR 169 N -6.07 2.83 0.08 1.00 -4.23 -1.26 -0.72 115.64 107.27 3hlj s THR 169 Ca -0.13 -2.13 -0.35 0.00 -1.18 0.00 0.00 61.69 57.89 3hlj s THR 169 Cb 0.18 -2.61 -0.15 0.00 1.34 0.00 0.00 72.50 71.26 3hlj s THR 169 CO 0.79 -0.34 1.53 1.17 -0.54 0.00 0.00 174.62 177.24 3hlj n LYS 170 N -0.80 1.71 0.00 3.99 4.81 0.65 -1.94 118.16 126.59 3hlj n LYS 170 Ca -0.05 0.62 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 3hlj n LYS 170 Cb 0.60 -2.34 0.00 0.00 0.02 0.00 0.00 35.03 33.31 3hlj n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hlj n GLY 171 N 3.24 2.67 3.76 3.14 0.00 -0.00 -4.37 105.19 113.63 3hlj n GLY 171 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3hlj n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hlj s LYS 172 N -0.96 4.65 0.06 1.61 1.02 -0.82 -4.88 119.74 120.44 3hlj s LYS 172 Ca 0.00 1.58 -0.00 0.00 0.02 0.00 0.00 55.97 57.57 3hlj s LYS 172 Cb 0.00 -3.08 -0.04 0.00 -0.52 0.00 0.00 37.83 34.19 3hlj s LYS 172 CO 0.00 0.29 -0.04 -1.54 -0.92 0.00 0.00 175.35 173.14 3hlj s SER 173 N -1.18 0.68 -0.04 2.83 1.04 -1.26 -1.20 113.70 114.57 3hlj s SER 173 Ca 0.46 -1.00 -0.10 0.00 0.48 0.00 0.00 55.95 55.78 3hlj s SER 173 Cb -0.27 0.17 0.02 0.00 0.10 0.00 0.00 66.02 66.04 3hlj s SER 173 CO 0.33 -0.56 0.23 0.00 0.98 0.00 0.00 173.24 174.23 3hlj s ALA 174 N -3.83 -0.57 0.26 5.32 0.00 -0.31 -4.93 121.76 117.70 3hlj s ALA 174 Ca 0.08 0.30 -0.30 0.00 0.00 0.00 0.00 51.96 52.05 3hlj s ALA 174 Cb 0.07 -0.08 -0.14 0.00 0.00 0.00 0.00 23.12 22.97 3hlj s ALA 174 CO -0.08 -0.19 1.18 -0.25 0.00 0.00 0.00 175.76 176.41 3hlj n ASP 175 N 1.90 1.90 -3.01 0.00 8.00 -1.26 -0.98 116.55 123.10 3hlj n ASP 175 Ca -0.19 1.17 -0.13 0.00 0.71 0.00 0.00 54.79 56.35 3hlj n ASP 175 Cb 0.57 -1.34 -0.03 0.00 -0.02 0.00 0.00 41.12 40.29 3hlj n ASP 175 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3hlj n PHE 176 N 0.88 -2.70 -3.91 1.24 7.35 -0.77 -4.69 117.46 114.86 3hlj n PHE 176 Ca 0.10 -2.13 -0.21 0.00 -0.76 0.00 0.00 57.45 54.46 3hlj n PHE 176 Cb 0.31 1.01 -0.02 0.00 0.35 0.00 0.00 39.48 41.12 3hlj n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3hlj s THR 177 N 0.54 4.76 -1.76 -2.13 -4.23 -1.26 -2.80 115.64 108.76 3hlj s THR 177 Ca 0.31 -1.11 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 3hlj s THR 177 Cb 0.02 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.23 3hlj s THR 177 CO -0.11 -0.30 0.00 0.59 -0.54 0.00 0.00 174.62 174.26 3hlj n ASN 178 N -1.39 -5.26 -4.71 3.99 3.02 -1.26 -4.97 115.26 104.68 3hlj n ASN 178 Ca -0.07 0.22 -0.40 0.00 -0.03 0.00 0.00 54.58 54.30 3hlj n ASN 178 Cb 0.58 -4.35 -0.04 0.00 -0.61 0.00 0.00 39.78 35.35 3hlj n ASN 178 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3hlj s PHE 179 N -2.80 3.59 -0.39 3.10 5.36 -1.26 -5.02 117.98 120.56 3hlj s PHE 179 Ca 0.00 1.37 -0.12 0.00 -0.96 0.00 0.00 56.93 57.21 3hlj s PHE 179 Cb 0.00 -2.90 0.02 0.00 -0.34 0.00 0.00 43.02 39.81 3hlj s PHE 179 CO 0.00 0.04 0.24 0.34 -1.46 0.00 0.00 175.22 174.38 3hlj s ASP 180 N 0.88 5.87 0.00 6.13 -1.08 -1.26 -4.43 116.67 122.77 3hlj s ASP 180 Ca 0.41 -0.96 0.18 0.00 -0.52 0.00 0.00 52.55 51.66 3hlj s ASP 180 Cb -0.18 -2.07 0.79 0.00 -1.46 0.00 0.00 42.92 39.99 3hlj s ASP 180 CO 0.20 -0.41 1.58 -0.81 0.52 0.00 0.00 175.17 176.25 3hlj n PRO 181 N 5.05 0.03 0.30 4.34 -0.04 -1.26 -2.39 135.00 141.02 3hlj n PRO 181 Ca -0.11 0.18 0.16 0.00 -0.04 0.00 0.00 63.50 63.69 3hlj n PRO 181 Cb 0.46 -1.50 0.92 0.00 -0.04 0.00 0.00 33.50 33.34 3hlj n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hlj h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.41 114.38 114.66 3hlj h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hlj h ARG 182 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 3hlj h ARG 182 CO 0.00 0.04 0.00 0.41 -1.07 0.00 0.00 179.97 179.35 3hlj n GLY 183 N -0.98 -0.67 0.61 0.04 0.00 -1.01 -2.79 105.19 100.39 3hlj n GLY 183 Ca -0.02 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 45.93 3hlj n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hlj n LEU 184 N -1.00 2.37 -4.87 0.99 4.77 -0.53 -4.06 117.00 114.67 3hlj n LEU 184 Ca 0.16 -1.20 -0.35 0.00 -0.03 0.00 0.00 56.01 54.59 3hlj n LEU 184 Cb 0.07 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.05 3hlj n LEU 184 CO 0.12 0.48 0.02 -0.76 -1.33 0.00 0.00 177.39 175.91 3hlj s LEU 185 N -1.13 4.36 0.97 2.23 1.43 -1.12 -4.93 118.68 120.49 3hlj s LEU 185 Ca 0.19 0.69 -0.15 0.00 -1.03 0.00 0.00 54.13 53.83 3hlj s LEU 185 Cb 0.12 -2.83 0.18 0.00 0.03 0.00 0.00 46.19 43.69 3hlj s LEU 185 CO 0.18 0.21 1.20 -2.16 0.23 0.00 0.00 176.35 176.01 3hlj s PRO 186 N -1.82 0.64 0.08 1.29 0.04 -1.26 -4.99 135.00 128.98 3hlj s PRO 186 Ca 0.30 -0.03 -0.24 0.00 0.04 0.00 0.00 61.00 61.07 3hlj s PRO 186 Cb -0.14 -1.81 -0.16 0.00 0.04 0.00 0.00 34.50 32.44 3hlj s PRO 186 CO 0.17 -2.48 1.70 1.49 0.04 0.00 0.00 177.00 177.93 3hlj h GLU 187 N -1.69 -0.05 -6.28 4.56 4.81 -1.93 -3.43 114.58 110.56 3hlj h GLU 187 Ca -0.47 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.20 3hlj h GLU 187 Cb 1.29 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.64 3hlj h GLU 187 CO 0.49 -0.00 -0.04 0.45 -0.73 0.00 0.00 179.01 179.18 3hlj s SER 188 N -5.17 6.98 -0.19 1.04 0.15 -1.26 -4.98 113.70 110.27 3hlj s SER 188 Ca -0.13 1.21 0.15 0.00 0.70 0.00 0.00 55.95 57.88 3hlj s SER 188 Cb 0.06 -2.34 0.70 0.00 -1.71 0.00 0.00 66.02 62.73 3hlj s SER 188 CO 0.66 0.20 1.62 0.18 1.20 0.00 0.00 173.24 177.10 3hlj n LEU 189 N 1.36 4.93 -4.77 3.45 4.77 -1.26 -4.73 117.00 120.75 3hlj n LEU 189 Ca -0.08 -2.83 -0.41 0.00 -0.03 0.00 0.00 56.01 52.65 3hlj n LEU 189 Cb 0.51 -0.61 -0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3hlj n LEU 189 CO 0.42 0.68 1.14 0.47 -1.33 0.00 0.00 177.39 178.77 3hlj n ASP 190 N 0.38 3.77 -3.86 -1.43 8.00 -1.26 -4.67 116.55 117.48 3hlj n ASP 190 Ca 0.25 1.22 -0.09 0.00 0.71 0.00 0.00 54.79 56.88 3hlj n ASP 190 Cb 1.03 -1.61 -0.07 0.00 -0.02 0.00 0.00 41.12 40.44 3hlj n ASP 190 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3hlj s TYR 191 N -0.97 0.14 0.13 1.24 -0.85 -1.26 -1.30 117.35 114.47 3hlj s TYR 191 Ca 0.55 -0.53 0.03 0.00 -0.52 0.00 0.00 57.07 56.59 3hlj s TYR 191 Cb -0.48 -0.06 -0.04 0.00 0.38 0.00 0.00 41.96 41.76 3hlj s TYR 191 CO 0.62 -0.52 0.18 -1.58 -1.52 0.00 0.00 175.55 172.73 3hlj s TRP 192 N -3.65 3.32 -0.03 -3.49 0.51 0.12 -1.25 118.94 114.48 3hlj s TRP 192 Ca 0.03 0.08 -0.06 0.00 -2.12 0.00 0.00 56.10 54.03 3hlj s TRP 192 Cb 0.04 -1.62 0.01 0.00 -0.81 0.00 0.00 33.47 31.09 3hlj s TRP 192 CO -0.10 0.53 0.14 -0.08 -0.51 0.00 0.00 176.95 176.93 3hlj s THR 193 N -1.65 0.04 0.05 2.01 -1.32 0.27 -0.91 115.64 114.13 3hlj s THR 193 Ca 0.32 -0.34 -0.27 0.00 -1.21 0.00 0.00 61.69 60.20 3hlj s THR 193 Cb -0.11 -0.31 0.08 0.00 -1.51 0.00 0.00 72.50 70.65 3hlj s THR 193 CO 0.25 -0.19 0.69 -0.72 -2.21 0.00 0.00 174.62 172.44 3hlj s TYR 194 N -0.62 -0.55 -0.02 9.09 1.13 -1.01 -1.30 117.35 124.08 3hlj s TYR 194 Ca -0.07 0.60 -0.30 0.00 -1.41 0.00 0.00 57.07 55.89 3hlj s TYR 194 Cb -0.04 0.50 -0.03 0.00 -1.10 0.00 0.00 41.96 41.29 3hlj s TYR 194 CO 0.01 -0.70 0.99 -1.25 -2.51 0.00 0.00 175.55 172.08 3hlj s PRO 195 N -2.65 4.53 0.00 -3.49 0.04 -1.26 -1.23 135.00 130.94 3hlj s PRO 195 Ca -0.03 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.43 3hlj s PRO 195 Cb -0.01 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 31.06 3hlj s PRO 195 CO -0.04 -0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.30 3hlj n GLY 196 N 2.94 4.53 3.26 0.56 0.00 0.58 -4.82 105.19 112.24 3hlj n GLY 196 Ca 0.07 -0.78 -0.14 0.00 0.00 0.00 0.00 46.02 45.16 3hlj n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hlj s SER 197 N 1.47 0.75 0.49 1.61 1.04 -1.10 -2.40 113.70 115.56 3hlj s SER 197 Ca 0.00 -1.38 -0.23 0.00 0.48 0.00 0.00 55.95 54.82 3hlj s SER 197 Cb 0.00 0.25 -0.07 0.00 0.10 0.00 0.00 66.02 66.30 3hlj s SER 197 CO 0.00 -0.77 1.34 0.18 0.98 0.00 0.00 173.24 174.97 3hlj n LEU 198 N -0.37 4.99 -0.87 2.42 4.77 -0.26 -4.46 117.00 123.22 3hlj n LEU 198 Ca 0.01 1.04 0.12 0.00 -0.03 0.00 0.00 56.01 57.15 3hlj n LEU 198 Cb 0.66 -1.56 0.27 0.00 -2.33 0.00 0.00 43.42 40.46 3hlj n LEU 198 CO 0.35 -0.52 0.72 0.35 -1.33 0.00 0.00 177.39 176.96 3hlj n THR 199 N -0.63 0.23 -4.33 -5.08 -2.24 -1.26 -4.37 114.28 96.60 3hlj n THR 199 Ca 0.08 -0.52 -0.19 0.00 -2.27 0.00 0.00 64.05 61.15 3hlj n THR 199 Cb 0.43 0.90 -0.10 0.00 -2.10 0.00 0.00 70.33 69.45 3hlj n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3hlj s THR 200 N -1.77 1.71 0.29 4.28 -4.23 -1.26 -4.68 115.64 109.99 3hlj s THR 200 Ca 0.34 -2.06 -0.27 0.00 -1.18 0.00 0.00 61.69 58.52 3hlj s THR 200 Cb 0.21 -1.92 -0.14 0.00 1.34 0.00 0.00 72.50 71.98 3hlj s THR 200 CO 0.30 -0.49 0.86 -2.65 -0.54 0.00 0.00 174.62 172.10 3hlj n PRO 201 N -0.07 0.98 0.00 3.99 -0.02 -1.26 -0.46 135.00 138.17 3hlj n PRO 201 Ca -0.10 0.35 0.02 0.00 -2.02 0.00 0.00 63.50 61.75 3hlj n PRO 201 Cb 0.59 -1.64 0.14 0.00 -0.02 0.00 0.00 33.50 32.57 3hlj n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3hlj n PRO 202 N 0.74 0.99 -2.15 0.52 -0.04 -1.26 -5.01 135.00 128.78 3hlj n PRO 202 Ca 0.11 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.38 3hlj n PRO 202 Cb 0.32 -1.07 -0.03 0.00 -0.04 0.00 0.00 33.50 32.67 3hlj n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3hlj n LEU 203 N -0.57 -1.73 -4.77 1.53 4.77 0.40 -4.91 117.00 111.71 3hlj n LEU 203 Ca 0.03 0.16 -0.41 0.00 -0.03 0.00 0.00 56.01 55.76 3hlj n LEU 203 Cb 0.02 -2.82 -0.01 0.00 -2.33 0.00 0.00 43.42 38.27 3hlj n LEU 203 CO 0.03 -0.46 1.04 -0.76 -1.33 0.00 0.00 177.39 175.90 3hlj s LEU 204 N -5.58 4.35 -1.24 2.23 1.43 -1.26 -4.40 118.68 114.20 3hlj s LEU 204 Ca 0.00 2.83 -0.10 0.00 -1.03 0.00 0.00 54.13 55.83 3hlj s LEU 204 Cb 0.00 -3.70 0.18 0.00 0.03 0.00 0.00 46.19 42.70 3hlj s LEU 204 CO 0.00 -0.73 1.73 -0.62 0.23 0.00 0.00 176.35 176.97 3hlj n GLU 205 N 0.54 3.66 0.00 1.70 1.02 -1.26 -1.10 120.64 125.20 3hlj n GLU 205 Ca 0.01 -3.72 0.00 0.00 -0.02 0.00 0.00 57.16 53.43 3hlj n GLU 205 Cb 0.41 -2.90 0.00 0.00 -0.02 0.00 0.00 31.44 28.93 3hlj n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hlj s VAL 207 N -0.41 3.33 -0.40 0.00 1.01 -1.01 -0.56 120.40 122.36 3hlj s VAL 207 Ca 0.00 -0.55 -0.22 0.00 0.00 0.00 0.00 61.98 61.21 3hlj s VAL 207 Cb 0.00 -2.44 0.02 0.00 0.00 0.00 0.00 36.38 33.96 3hlj s VAL 207 CO 0.00 0.50 0.75 -0.89 0.00 0.00 0.00 175.10 175.45 3hlj s THR 208 N 0.58 4.73 0.03 3.92 2.01 -0.13 -0.31 115.64 126.48 3hlj s THR 208 Ca -0.06 0.58 -0.27 0.00 0.31 0.00 0.00 61.69 62.25 3hlj s THR 208 Cb -0.15 -4.23 -0.05 0.00 0.01 0.00 0.00 72.50 68.08 3hlj s THR 208 CO 0.03 -0.54 0.86 0.26 -0.69 0.00 0.00 174.62 174.54 3hlj s TRP 209 N 3.08 3.71 -0.25 4.92 0.52 -0.37 -2.26 118.94 128.29 3hlj s TRP 209 Ca 0.29 1.58 0.00 0.00 0.02 0.00 0.00 56.10 57.99 3hlj s TRP 209 Cb -0.13 -2.96 0.07 0.00 -1.15 0.00 0.00 33.47 29.30 3hlj s TRP 209 CO 0.19 0.14 -0.00 0.42 0.02 0.00 0.00 176.95 177.72 3hlj s ILE 210 N 0.41 1.34 -0.23 2.03 1.01 -0.58 -2.39 121.20 122.79 3hlj s ILE 210 Ca 0.44 -1.26 -0.06 0.00 0.00 0.00 0.00 60.65 59.77 3hlj s ILE 210 Cb -0.21 -1.75 -0.02 0.00 0.01 0.00 0.00 42.46 40.49 3hlj s ILE 210 CO 0.25 -0.27 0.02 -0.69 0.00 0.00 0.00 174.94 174.26 3hlj s VAL 211 N 1.45 3.94 0.25 2.92 1.01 -0.08 -0.45 120.40 129.44 3hlj s VAL 211 Ca -0.01 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 3hlj s VAL 211 Cb -0.18 -2.82 -0.09 0.00 0.00 0.00 0.00 36.38 33.29 3hlj s VAL 211 CO -0.10 0.38 1.19 -0.76 0.00 0.00 0.00 175.10 175.81 3hlj s LEU 212 N 1.47 4.48 0.23 3.92 1.43 -0.11 -0.70 118.68 129.40 3hlj s LEU 212 Ca 0.05 2.34 -0.05 0.00 -1.03 0.00 0.00 54.13 55.45 3hlj s LEU 212 Cb -0.15 -3.62 0.23 0.00 0.03 0.00 0.00 46.19 42.68 3hlj s LEU 212 CO 0.01 -0.33 1.71 0.50 0.23 0.00 0.00 176.35 178.47 3hlj h LYS 213 N 4.40 0.89 -5.40 1.70 3.64 -1.53 -3.43 116.57 116.84 3hlj h LYS 213 Ca -0.46 -0.26 -0.61 0.00 -1.27 0.00 0.00 60.65 58.04 3hlj h LYS 213 Cb 1.21 -0.09 -0.12 0.00 -0.41 0.00 0.00 32.23 32.82 3hlj h LYS 213 CO 0.70 0.90 -0.03 -2.00 -2.27 0.00 0.00 179.45 176.75 3hlj s GLU 214 N -4.97 4.10 0.68 1.90 2.12 -1.26 -5.02 118.70 116.25 3hlj s GLU 214 Ca -0.10 0.34 -0.11 0.00 0.36 0.00 0.00 54.97 55.46 3hlj s GLU 214 Cb 0.14 -3.63 0.00 0.00 0.26 0.00 0.00 34.13 30.91 3hlj s GLU 214 CO 0.83 -0.29 1.06 -1.25 -0.54 0.00 0.00 175.26 175.06 3hlj s PRO 215 N 2.12 3.00 0.25 4.30 0.04 -1.26 -4.64 135.00 138.80 3hlj s PRO 215 Ca 0.22 0.97 -0.03 0.00 0.04 0.00 0.00 61.00 62.20 3hlj s PRO 215 Cb -0.16 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 3hlj s PRO 215 CO 0.09 -1.05 0.48 0.96 0.04 0.00 0.00 177.00 177.52 3hlj s ILE 216 N -2.99 5.10 -0.14 0.56 -4.36 0.09 -4.88 121.20 114.58 3hlj s ILE 216 Ca 0.58 -0.12 -0.05 0.00 -0.26 0.00 0.00 60.65 60.80 3hlj s ILE 216 Cb -0.14 -3.73 -0.04 0.00 1.25 0.00 0.00 42.46 39.80 3hlj s ILE 216 CO 0.53 -0.25 0.05 -0.94 0.24 0.00 0.00 174.94 174.57 3hlj s SER 217 N -3.14 5.54 0.24 4.36 1.04 -1.26 -1.08 113.70 119.40 3hlj s SER 217 Ca 0.42 0.13 0.10 0.00 0.48 0.00 0.00 55.95 57.08 3hlj s SER 217 Cb -0.11 -1.82 -0.05 0.00 0.10 0.00 0.00 66.02 64.14 3hlj s SER 217 CO 0.29 0.27 -0.18 0.68 0.98 0.00 0.00 173.24 175.27 3hlj s VAL 218 N -0.19 2.17 0.59 5.02 -7.23 0.03 -3.32 120.40 117.48 3hlj s VAL 218 Ca 0.07 -2.26 -0.08 0.00 -1.81 0.00 0.00 61.98 57.90 3hlj s VAL 218 Cb -0.12 -2.16 -0.01 0.00 0.56 0.00 0.00 36.38 34.65 3hlj s VAL 218 CO 0.02 -0.43 0.94 -0.94 -0.31 0.00 0.00 175.10 174.38 3hlj s SER 219 N -3.29 5.84 0.31 4.85 1.04 -1.14 -0.31 113.70 121.01 3hlj s SER 219 Ca 0.25 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.67 3hlj s SER 219 Cb -0.04 -2.02 0.52 0.00 0.10 0.00 0.00 66.02 64.58 3hlj s SER 219 CO 0.11 -0.97 1.94 0.77 0.98 0.00 0.00 173.24 176.08 3hlj h SER 220 N -0.20 0.89 -0.49 7.02 4.64 -1.92 -2.13 113.55 121.35 3hlj h SER 220 Ca -0.45 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 60.79 3hlj h SER 220 Cb 1.23 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.10 3hlj h SER 220 CO 0.62 0.60 0.07 -0.33 -0.87 0.00 0.00 176.83 176.92 3hlj h GLU 221 N 1.03 0.88 0.02 4.77 3.07 -1.95 -0.37 114.58 122.03 3hlj h GLU 221 Ca 0.34 -0.22 -0.00 0.00 -0.50 0.00 0.00 59.36 58.98 3hlj h GLU 221 Cb 0.07 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 3hlj h GLU 221 CO -0.11 0.83 -0.01 1.96 -1.40 0.00 0.00 179.01 180.29 3hlj h GLN 222 N 0.83 -0.03 -0.41 2.33 4.20 -1.78 -2.49 115.11 117.76 3hlj h GLN 222 Ca 0.17 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.81 3hlj h GLN 222 Cb 0.40 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 3hlj h GLN 222 CO 0.01 0.09 -0.06 -0.39 -0.67 0.00 0.00 178.83 177.82 3hlj h VAL 223 N -0.15 1.24 -0.54 -0.54 -1.51 -1.31 -2.42 116.25 111.01 3hlj h VAL 223 Ca -0.00 -1.03 0.03 0.00 -1.23 0.00 0.00 66.70 64.47 3hlj h VAL 223 Cb 0.14 0.99 -0.03 0.00 -2.13 0.00 0.00 31.29 30.26 3hlj h VAL 223 CO 0.01 0.35 0.36 -0.07 -1.23 0.00 0.00 177.57 176.99 3hlj h LEU 224 N 0.64 0.54 -0.79 4.19 3.38 -0.95 -1.85 115.31 120.48 3hlj h LEU 224 Ca 0.12 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 3hlj h LEU 224 Cb 0.48 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3hlj h LEU 224 CO 0.03 0.38 -0.36 0.11 0.09 0.00 0.00 178.44 178.68 3hlj h LYS 225 N 0.63 0.49 -0.73 1.13 1.79 -0.97 -2.46 116.57 116.45 3hlj h LYS 225 Ca 0.22 -0.23 0.09 0.00 -2.18 0.00 0.00 60.65 58.55 3hlj h LYS 225 Cb 0.08 -0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 30.66 3hlj h LYS 225 CO -0.06 0.78 0.38 0.74 -1.08 0.00 0.00 179.45 180.22 3hlj h PHE 226 N 0.41 0.69 0.00 -1.35 -1.00 -1.24 -2.76 116.94 111.69 3hlj h PHE 226 Ca 0.04 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.85 3hlj h PHE 226 Cb 0.83 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 40.19 3hlj h PHE 226 CO 0.03 0.27 0.00 0.54 -1.61 0.00 0.00 178.31 177.54 3hlj n ARG 227 N -4.83 0.39 0.00 1.51 1.74 -0.93 -2.47 116.66 112.07 3hlj n ARG 227 Ca 0.11 0.06 0.12 0.00 -0.77 0.00 0.00 57.85 57.37 3hlj n ARG 227 Cb 0.26 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.39 3hlj n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3hlj n LYS 228 N -1.23 0.00 -1.03 5.56 5.02 -1.04 -4.49 118.16 120.95 3hlj n LYS 228 Ca 0.12 -0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.11 3hlj n LYS 228 Cb 0.16 -1.50 0.16 0.00 -0.02 0.00 0.00 35.03 33.83 3hlj n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hlj s LEU 229 N -3.00 2.12 -0.04 -0.35 1.43 -1.03 -4.88 118.68 112.93 3hlj s LEU 229 Ca 0.11 1.60 0.06 0.00 -1.03 0.00 0.00 54.13 54.86 3hlj s LEU 229 Cb 0.17 -3.93 -0.01 0.00 0.03 0.00 0.00 46.19 42.45 3hlj s LEU 229 CO 0.73 -2.95 -0.22 0.20 0.23 0.00 0.00 176.35 174.33 3hlj s ASN 230 N -3.17 2.68 0.28 2.29 0.02 0.10 -0.35 114.94 116.80 3hlj s ASN 230 Ca 0.65 -0.43 0.08 0.00 -1.02 0.00 0.00 52.86 52.14 3hlj s ASN 230 Cb -0.20 -0.53 0.41 0.00 0.02 0.00 0.00 41.25 40.96 3hlj s ASN 230 CO 0.58 0.24 1.65 -0.26 0.02 0.00 0.00 177.10 179.34 3hlj h PHE 231 N 5.87 0.15 -4.14 2.20 0.04 -1.34 -3.34 116.94 116.37 3hlj h PHE 231 Ca -0.36 -0.05 -0.49 0.00 2.80 0.00 0.00 57.97 59.87 3hlj h PHE 231 Cb 1.15 -0.03 0.06 0.00 2.20 0.00 0.00 35.95 39.34 3hlj h PHE 231 CO 0.41 0.62 0.32 0.54 -0.60 0.00 0.00 178.31 179.60 3hlj s ASN 232 N -6.88 5.69 0.65 2.17 4.22 -1.26 -4.43 114.94 115.11 3hlj s ASN 232 Ca -0.03 1.04 -0.10 0.00 -2.14 0.00 0.00 52.86 51.64 3hlj s ASN 232 Cb 0.13 -1.99 0.00 0.00 1.28 0.00 0.00 41.25 40.68 3hlj s ASN 232 CO 0.77 -1.11 1.02 -0.83 -2.04 0.00 0.00 177.10 174.91 3hlj s GLY 233 N -4.29 1.62 0.35 0.45 0.00 -1.26 -0.26 107.32 103.93 3hlj s GLY 233 Ca 0.55 -0.40 0.10 0.00 0.00 0.00 0.00 44.72 44.97 3hlj s GLY 233 CO 0.50 -0.07 1.82 -2.09 0.00 0.00 0.00 173.10 173.26 3hlj h GLU 234 N -0.45 0.64 0.00 2.90 4.81 -1.89 0.35 114.58 120.95 3hlj h GLU 234 Ca -0.45 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.73 3hlj h GLU 234 Cb 1.24 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 3hlj h GLU 234 CO 0.63 0.43 -0.07 0.78 -0.73 0.00 0.00 179.01 180.04 3hlj h GLY 235 N 0.66 0.00 -3.00 1.92 0.00 -1.96 -3.47 103.07 97.23 3hlj h GLY 235 Ca 0.51 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 47.39 3hlj h GLY 235 CO -0.27 0.00 -0.38 -0.54 0.00 0.00 0.00 176.54 175.34 3hlj s GLU 236 N -3.75 3.30 0.73 4.80 2.02 0.11 -5.09 118.70 120.81 3hlj s GLU 236 Ca 0.00 -0.86 -0.15 0.00 0.02 0.00 0.00 54.97 53.99 3hlj s GLU 236 Cb 0.10 -2.85 0.04 0.00 0.10 0.00 0.00 34.13 31.52 3hlj s GLU 236 CO 0.56 0.26 1.20 -1.25 0.02 0.00 0.00 175.26 176.05 3hlj s PRO 237 N -4.08 2.15 -0.28 0.39 0.04 -1.26 -4.77 135.00 127.20 3hlj s PRO 237 Ca 0.39 1.73 -0.26 0.00 0.04 0.00 0.00 61.00 62.89 3hlj s PRO 237 Cb -0.09 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.62 3hlj s PRO 237 CO 0.30 -1.82 0.93 -2.00 0.04 0.00 0.00 177.00 174.45 3hlj s GLU 238 N -3.94 4.10 -0.20 4.56 2.12 -1.26 -4.69 118.70 119.37 3hlj s GLU 238 Ca 0.74 0.95 0.01 0.00 0.36 0.00 0.00 54.97 57.03 3hlj s GLU 238 Cb -0.28 -3.70 0.03 0.00 0.26 0.00 0.00 34.13 30.44 3hlj s GLU 238 CO 0.45 -0.70 -0.16 -1.21 -0.54 0.00 0.00 175.26 173.10 3hlj s GLU 239 N 3.18 2.84 0.27 4.30 2.02 -1.26 -5.06 118.70 124.99 3hlj s GLU 239 Ca 0.39 -0.94 -0.29 0.00 0.02 0.00 0.00 54.97 54.14 3hlj s GLU 239 Cb -0.14 -2.69 -0.10 0.00 0.10 0.00 0.00 34.13 31.30 3hlj s GLU 239 CO 0.11 -0.30 1.33 -0.51 0.02 0.00 0.00 175.26 175.91 3hlj s LEU 240 N 1.26 4.42 -1.00 1.80 1.43 -1.26 -1.04 118.68 124.29 3hlj s LEU 240 Ca 0.02 2.58 -0.23 0.00 -1.03 0.00 0.00 54.13 55.47 3hlj s LEU 240 Cb -0.15 -3.63 0.02 0.00 0.03 0.00 0.00 46.19 42.46 3hlj s LEU 240 CO -0.10 -0.55 1.60 -0.32 0.23 0.00 0.00 176.35 177.20 3hlj s MET 241 N -0.97 3.32 0.07 1.70 -2.45 0.52 -4.61 119.30 116.88 3hlj s MET 241 Ca 0.53 -0.93 -0.00 0.00 -1.25 0.00 0.00 55.69 54.04 3hlj s MET 241 Cb -0.39 -5.29 -0.04 0.00 1.25 0.00 0.00 34.83 30.36 3hlj s MET 241 CO 0.46 -2.54 -0.04 0.14 1.05 0.00 0.00 175.02 174.08 3hlj s VAL 242 N 6.38 0.39 -1.39 10.11 -7.23 -1.26 -4.46 120.40 122.93 3hlj s VAL 242 Ca 0.53 -1.86 -0.04 0.00 -1.81 0.00 0.00 61.98 58.80 3hlj s VAL 242 Cb -0.02 -1.60 0.03 0.00 0.56 0.00 0.00 36.38 35.35 3hlj s VAL 242 CO -0.07 -0.94 0.74 0.47 -0.31 0.00 0.00 175.10 174.99 3hlj n ASP 243 N 0.05 -2.05 -2.52 4.85 8.00 -0.37 -4.86 116.55 119.64 3hlj n ASP 243 Ca -0.13 -0.84 -0.30 0.00 0.71 0.00 0.00 54.79 54.23 3hlj n ASP 243 Cb 0.61 -3.83 -0.00 0.00 -0.02 0.00 0.00 41.12 37.88 3hlj n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3hlj n ASN 244 N -2.98 6.93 -4.40 -2.24 6.94 -1.07 -4.90 115.26 113.55 3hlj n ASN 244 Ca -0.20 -3.44 -0.30 0.00 -0.02 0.00 0.00 54.58 50.62 3hlj n ASN 244 Cb 0.63 -1.13 -0.14 0.00 -2.36 0.00 0.00 39.78 36.79 3hlj n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 3hlj s TRP 245 N -2.66 2.41 -0.04 -2.53 1.48 -1.26 -4.57 118.94 111.76 3hlj s TRP 245 Ca 0.54 -0.35 -0.17 0.00 -1.06 0.00 0.00 56.10 55.06 3hlj s TRP 245 Cb 0.40 -1.39 -0.05 0.00 -1.16 0.00 0.00 33.47 31.26 3hlj s TRP 245 CO -0.23 0.21 0.47 0.50 -4.06 0.00 0.00 176.95 173.85 3hlj s ARG 246 N -1.48 4.16 0.91 3.25 3.52 -1.26 -4.93 118.95 123.12 3hlj s ARG 246 Ca 0.13 0.50 -0.12 0.00 -0.13 0.00 0.00 55.73 56.11 3hlj s ARG 246 Cb -0.10 -3.32 0.14 0.00 -1.56 0.00 0.00 34.95 30.11 3hlj s ARG 246 CO 0.04 0.45 1.10 -2.14 -0.81 0.00 0.00 175.30 173.94 3hlj s PRO 247 N -0.35 1.12 0.31 5.12 0.02 -1.26 -4.60 135.00 135.36 3hlj s PRO 247 Ca 0.26 0.70 -0.29 0.00 0.02 0.00 0.00 61.00 61.68 3hlj s PRO 247 Cb -0.17 -1.80 -0.12 0.00 0.02 0.00 0.00 34.50 32.43 3hlj s PRO 247 CO 0.13 -2.31 1.44 0.00 -0.33 0.00 0.00 177.00 175.94 3hlj n ALA 248 N -3.91 1.82 -2.67 -1.55 0.00 -1.26 -4.33 120.51 108.61 3hlj n ALA 248 Ca 0.06 0.37 -0.22 0.00 0.00 0.00 0.00 53.44 53.66 3hlj n ALA 248 Cb 0.56 -2.35 -0.05 0.00 0.00 0.00 0.00 19.45 17.61 3hlj n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3hlj s GLN 249 N -1.22 2.71 0.29 0.00 -1.52 0.93 -4.94 119.66 115.92 3hlj s GLN 249 Ca 0.60 -1.23 -0.30 0.00 -1.95 0.00 0.00 55.36 52.48 3hlj s GLN 249 Cb -0.55 -2.44 -0.12 0.00 -0.22 0.00 0.00 33.01 29.69 3hlj s GLN 249 CO 0.56 0.27 1.62 -2.14 -0.25 0.00 0.00 175.29 175.35 3hlj s PRO 250 N -3.86 4.11 0.31 2.91 0.02 -1.26 -4.56 135.00 132.66 3hlj s PRO 250 Ca 0.36 2.61 0.06 0.00 0.02 0.00 0.00 61.00 64.04 3hlj s PRO 250 Cb -0.06 -3.02 0.51 0.00 0.02 0.00 0.00 34.50 31.95 3hlj s PRO 250 CO 0.24 -0.66 1.76 1.25 -0.33 0.00 0.00 177.00 179.26 3hlj h LEU 251 N 4.97 0.34 0.00 -5.54 5.85 -1.94 -3.43 115.31 115.55 3hlj h LEU 251 Ca -0.47 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.14 3hlj h LEU 251 Cb 1.22 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.16 3hlj h LEU 251 CO 0.81 0.62 0.00 0.29 -0.34 0.00 0.00 178.44 179.81 3hlj n LYS 252 N -4.12 0.00 -2.01 1.25 5.02 -1.26 -3.13 118.16 113.91 3hlj n LYS 252 Ca -0.01 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.88 3hlj n LYS 252 Cb 0.40 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.40 3hlj n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3hlj n ASN 253 N 1.90 7.88 -4.06 4.39 5.15 -1.26 -4.89 115.26 124.36 3hlj n ASN 253 Ca 0.00 -3.14 -0.14 0.00 -0.60 0.00 0.00 54.58 50.71 3hlj n ASN 253 Cb 0.00 -1.37 -0.12 0.00 -0.53 0.00 0.00 39.78 37.76 3hlj n ASN 253 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3hlj s ARG 254 N -1.04 0.54 -0.08 1.20 0.52 -1.18 -5.12 118.95 113.80 3hlj s ARG 254 Ca 0.53 -0.71 0.03 0.00 -0.52 0.00 0.00 55.73 55.06 3hlj s ARG 254 Cb 0.18 -0.35 -0.02 0.00 0.52 0.00 0.00 34.95 35.28 3hlj s ARG 254 CO -0.09 0.07 -0.17 -1.14 0.02 0.00 0.00 175.30 173.99 3hlj s GLN 255 N -1.43 2.79 -0.06 3.54 0.74 -1.26 -5.02 119.66 118.95 3hlj s GLN 255 Ca -0.08 -0.75 -0.20 0.00 0.05 0.00 0.00 55.36 54.38 3hlj s GLN 255 Cb -0.09 -2.40 -0.05 0.00 1.10 0.00 0.00 33.01 31.58 3hlj s GLN 255 CO 0.00 0.43 0.58 0.42 -0.55 0.00 0.00 175.29 176.18 3hlj s ILE 256 N -0.25 5.04 0.04 -2.34 1.01 -1.26 -4.73 121.20 118.70 3hlj s ILE 256 Ca 0.01 1.19 0.02 0.00 0.00 0.00 0.00 60.65 61.87 3hlj s ILE 256 Cb -0.13 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 3hlj s ILE 256 CO 0.03 0.35 0.04 -0.54 0.00 0.00 0.00 174.94 174.81 3hlj s LYS 257 N 0.31 2.82 -0.03 2.79 -0.14 -0.42 -1.43 119.74 123.64 3hlj s LYS 257 Ca 0.31 -0.65 0.06 0.00 -1.36 0.00 0.00 55.97 54.33 3hlj s LYS 257 Cb -0.17 -2.70 -0.02 0.00 -1.68 0.00 0.00 37.83 33.26 3hlj s LYS 257 CO 0.15 0.60 -0.21 0.00 -0.76 0.00 0.00 175.35 175.13 3hlj s ALA 258 N -1.23 2.37 -1.97 5.17 0.00 0.24 -0.57 121.76 125.78 3hlj s ALA 258 Ca 0.24 -1.07 0.29 0.00 0.00 0.00 0.00 51.96 51.42 3hlj s ALA 258 Cb -0.12 -0.71 1.31 0.00 0.00 0.00 0.00 23.12 23.59 3hlj s ALA 258 CO 0.15 0.54 1.90 -1.13 0.00 0.00 0.00 175.76 177.22 3hlj n SER 259 N 2.35 0.68 -4.09 0.00 3.41 -0.38 -1.47 113.62 114.12 3hlj n SER 259 Ca -0.16 -0.95 -0.09 0.00 -0.26 0.00 0.00 58.87 57.41 3hlj n SER 259 Cb 0.52 -0.02 -0.09 0.00 -0.26 0.00 0.00 64.21 64.35 3hlj n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3hlj s PHE 260 N -2.24 0.67 0.00 7.33 -0.71 -1.26 -4.90 117.98 116.87 3hlj s PHE 260 Ca 0.36 -1.09 0.00 0.00 -1.04 0.00 0.00 56.93 55.15 3hlj s PHE 260 Cb 0.21 -0.37 0.00 0.00 -1.21 0.00 0.00 43.02 41.64 3hlj s PHE 260 CO 0.41 -0.52 0.00 1.63 -1.34 0.00 0.00 175.22 175.41