#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkt s TRP 5 N 0.00 3.45 0.00 1.57 1.48 -1.26 -4.91 118.94 119.27 3hkt s TRP 5 Ca 0.00 1.43 0.00 0.00 -1.06 0.00 0.00 56.10 56.47 3hkt s TRP 5 Cb 0.00 -2.76 0.00 0.00 -1.16 0.00 0.00 33.47 29.55 3hkt s TRP 5 CO 0.00 -0.34 0.00 0.41 -4.06 0.00 0.00 176.95 172.96 3hkt n GLY 6 N -1.55 2.85 0.00 3.67 0.00 -0.21 -5.02 105.19 104.93 3hkt n GLY 6 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3hkt n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hkt n TYR 7 N 0.00 0.00 -2.38 1.61 4.01 -1.26 -3.69 117.16 115.44 3hkt n TYR 7 Ca 0.00 -0.22 -0.26 0.00 -0.16 0.00 0.00 57.90 57.26 3hkt n TYR 7 Cb 0.00 -0.02 0.14 0.00 -0.31 0.00 0.00 39.34 39.15 3hkt n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3hkt s GLY 8 N -0.44 1.77 0.30 2.72 0.00 -1.26 -4.67 107.32 105.74 3hkt s GLY 8 Ca 0.00 -1.60 0.06 0.00 0.00 0.00 0.00 44.72 43.18 3hkt s GLY 8 CO 0.00 -0.95 1.74 1.70 0.00 0.00 0.00 173.10 175.59 3hkt h LYS 9 N -0.91 0.60 0.00 2.90 3.11 -1.98 -0.24 116.57 120.04 3hkt h LYS 9 Ca -0.38 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.42 3hkt h LYS 9 Cb 1.25 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 32.35 3hkt h LYS 9 CO 0.38 0.40 -1.44 0.72 -2.81 0.00 0.00 179.45 176.70 3hkt n HIS 10 N -4.87 0.51 -0.30 1.91 8.25 -1.26 -4.45 115.22 115.01 3hkt n HIS 10 Ca 0.24 0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.85 3hkt n HIS 10 Cb 0.64 -0.73 0.00 0.00 1.12 0.00 0.00 29.99 31.01 3hkt n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3hkt n ASN 11 N -2.46 1.27 -2.16 0.41 0.23 -1.08 -4.91 115.26 106.56 3hkt n ASN 11 Ca -0.02 -1.57 -0.02 0.00 -0.53 0.00 0.00 54.58 52.44 3hkt n ASN 11 Cb 0.55 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.27 3hkt n ASN 11 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hkt n GLY 12 N -0.29 -0.85 0.53 4.83 0.00 -0.12 -1.04 105.19 108.25 3hkt n GLY 12 Ca 0.00 -1.72 0.35 0.00 0.00 0.00 0.00 46.02 44.65 3hkt n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hkt h PRO 13 N 0.00 0.00 0.00 1.61 0.11 -1.85 0.14 132.00 132.01 3hkt h PRO 13 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3hkt h PRO 13 Cb 0.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.21 3hkt h PRO 13 CO 0.03 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 178.75 3hkt h GLU 14 N 0.00 0.00 0.00 1.05 3.07 -1.94 -3.19 114.58 113.57 3hkt h GLU 14 Ca 0.55 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.34 3hkt h GLU 14 Cb 2.31 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 30.21 3hkt h GLU 14 CO -0.01 0.00 -1.66 0.72 -1.40 0.00 0.00 179.01 176.67 3hkt n HIS 15 N -2.81 0.44 -0.31 4.33 8.25 0.47 -4.59 115.22 121.01 3hkt n HIS 15 Ca 0.03 0.14 0.10 0.00 -0.26 0.00 0.00 57.72 57.73 3hkt n HIS 15 Cb 0.38 -0.78 0.32 0.00 1.12 0.00 0.00 29.99 31.03 3hkt n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3hkt h TRP 16 N 0.00 0.96 -0.93 4.41 6.55 -1.52 -1.41 115.95 124.01 3hkt h TRP 16 Ca -0.09 0.03 0.27 0.00 0.95 0.00 0.00 58.89 60.05 3hkt h TRP 16 Cb 1.23 -0.30 -0.04 0.00 -0.86 0.00 0.00 29.16 29.19 3hkt h TRP 16 CO 0.00 0.35 0.67 1.12 -1.05 0.00 0.00 178.44 179.53 3hkt h HIS 17 N 0.81 0.02 -0.35 0.49 2.07 -1.80 -0.84 115.15 115.55 3hkt h HIS 17 Ca 0.48 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.98 3hkt h HIS 17 Cb 0.66 -0.01 -0.02 0.00 2.57 0.00 0.00 27.41 30.61 3hkt h HIS 17 CO -0.00 0.00 0.14 0.87 -3.07 0.00 0.00 177.93 175.87 3hkt h LYS 18 N 0.02 0.52 0.00 5.12 1.57 -1.59 -2.45 116.57 119.75 3hkt h LYS 18 Ca 0.45 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 3hkt h LYS 18 Cb 1.76 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.99 3hkt h LYS 18 CO -0.01 0.50 -0.63 -0.44 -0.57 0.00 0.00 179.45 178.29 3hkt h ASP 19 N 0.41 0.00 -2.16 0.86 5.19 -1.64 -3.42 116.42 115.66 3hkt h ASP 19 Ca 0.12 -0.06 -0.57 0.00 -0.62 0.00 0.00 57.03 55.89 3hkt h ASP 19 Cb 0.18 0.00 -0.39 0.00 0.18 0.00 0.00 39.33 39.30 3hkt h ASP 19 CO -0.01 0.03 -1.04 0.49 -3.12 0.00 0.00 179.24 175.60 3hkt n PHE 20 N -2.57 -0.39 0.21 4.55 3.72 -0.36 -5.00 117.46 117.62 3hkt n PHE 20 Ca 0.02 -3.50 0.12 0.00 -0.05 0.00 0.00 57.45 54.04 3hkt n PHE 20 Cb 0.51 -0.13 0.61 0.00 -0.94 0.00 0.00 39.48 39.52 3hkt n PHE 20 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3hkt h PRO 21 N 4.63 0.00 0.00 -1.08 0.13 -1.69 -0.95 132.00 133.05 3hkt h PRO 21 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3hkt h PRO 21 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 3hkt h PRO 21 CO 0.44 0.00 0.00 0.97 -0.23 0.00 0.00 178.00 179.18 3hkt h ILE 22 N 0.00 0.00 -1.54 -3.56 2.10 -1.91 -2.91 117.51 109.69 3hkt h ILE 22 Ca 0.00 -0.17 0.46 0.00 1.08 0.00 0.00 64.86 66.22 3hkt h ILE 22 Cb 0.07 1.10 -0.08 0.00 -1.09 0.00 0.00 36.82 36.82 3hkt h ILE 22 CO 0.00 0.00 1.08 0.00 -1.08 0.00 0.00 178.15 178.15 3hkt h ALA 23 N 2.02 3.28 -0.86 0.18 0.00 -1.48 1.10 119.26 123.51 3hkt h ALA 23 Ca 0.00 -0.01 -0.46 0.00 0.00 0.00 0.00 54.91 54.44 3hkt h ALA 23 Cb 0.18 0.14 -0.27 0.00 0.00 0.00 0.00 17.79 17.84 3hkt h ALA 23 CO 0.00 -1.79 0.49 1.63 0.00 0.00 0.00 179.25 179.58 3hkt n LYS 24 N -4.24 2.21 -0.08 0.00 5.02 -1.10 -4.97 118.16 115.01 3hkt n LYS 24 Ca 0.36 -3.09 0.00 0.00 -2.02 0.00 0.00 58.31 53.56 3hkt n LYS 24 Cb 1.59 -2.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.49 3hkt n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hkt n GLY 25 N -1.12 -0.65 0.13 0.72 0.00 0.38 -5.00 105.19 99.66 3hkt n GLY 25 Ca 0.54 -1.71 -0.05 0.00 0.00 0.00 0.00 46.02 44.80 3hkt n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hkt h GLU 26 N 0.00 0.13 -1.57 1.61 4.22 -1.97 -3.39 114.58 113.61 3hkt h GLU 26 Ca 0.00 -0.12 -0.43 0.00 0.08 0.00 0.00 59.36 58.89 3hkt h GLU 26 Cb 0.00 0.03 -0.39 0.00 0.50 0.00 0.00 28.75 28.89 3hkt h GLU 26 CO 0.00 0.81 -1.16 2.89 -2.18 0.00 0.00 179.01 179.37 3hkt n ARG 27 N -3.73 1.03 -3.19 1.92 1.85 -1.26 -4.62 116.66 108.66 3hkt n ARG 27 Ca -0.02 -3.26 -0.32 0.00 -1.00 0.00 0.00 57.85 53.25 3hkt n ARG 27 Cb 0.71 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.56 3hkt n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3hkt s GLN 28 N -2.51 3.97 0.22 2.89 -1.52 -1.26 -2.45 119.66 119.00 3hkt s GLN 28 Ca 0.35 0.60 0.10 0.00 -1.95 0.00 0.00 55.36 54.46 3hkt s GLN 28 Cb 0.38 -2.48 -0.05 0.00 -0.22 0.00 0.00 33.01 30.65 3hkt s GLN 28 CO -0.04 0.19 -0.19 -1.12 -0.25 0.00 0.00 175.29 173.88 3hkt s SER 29 N -2.27 3.11 1.04 5.90 0.01 -1.26 -4.63 113.70 115.60 3hkt s SER 29 Ca 0.53 -0.95 -0.15 0.00 1.31 0.00 0.00 55.95 56.68 3hkt s SER 29 Cb -0.11 -0.22 0.21 0.00 0.21 0.00 0.00 66.02 66.12 3hkt s SER 29 CO 0.18 -0.00 1.13 -0.81 0.41 0.00 0.00 173.24 174.15 3hkt n PRO 30 N -0.14 -1.49 -4.25 12.44 -0.04 -1.26 -4.54 135.00 135.72 3hkt n PRO 30 Ca -0.09 -1.76 -0.14 0.00 -0.04 0.00 0.00 63.50 61.47 3hkt n PRO 30 Cb 0.58 -1.25 -0.10 0.00 -0.04 0.00 0.00 33.50 32.69 3hkt n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3hkt s VAL 31 N -3.41 0.58 0.06 0.52 -7.23 -1.26 -0.51 120.40 109.16 3hkt s VAL 31 Ca 0.66 -1.98 -0.28 0.00 -1.81 0.00 0.00 61.98 58.57 3hkt s VAL 31 Cb -0.03 -2.26 -0.05 0.00 0.56 0.00 0.00 36.38 34.60 3hkt s VAL 31 CO 0.47 -0.33 0.88 -0.62 -0.31 0.00 0.00 175.10 175.19 3hkt s ASP 32 N -3.20 7.35 -0.49 4.85 2.15 -1.26 -2.92 116.67 123.15 3hkt s ASP 32 Ca 0.28 1.62 -0.16 0.00 0.43 0.00 0.00 52.55 54.72 3hkt s ASP 32 Cb 0.07 -2.53 0.09 0.00 -0.30 0.00 0.00 42.92 40.24 3hkt s ASP 32 CO 0.07 -0.07 0.42 -0.63 -0.17 0.00 0.00 175.17 174.78 3hkt s ILE 33 N 0.19 5.22 -0.62 4.11 1.01 0.58 -4.92 121.20 126.77 3hkt s ILE 33 Ca 0.44 -1.17 -0.25 0.00 0.00 0.00 0.00 60.65 59.67 3hkt s ILE 33 Cb -0.22 -4.18 0.04 0.00 0.01 0.00 0.00 42.46 38.12 3hkt s ILE 33 CO 0.26 -0.65 1.07 -0.62 0.00 0.00 0.00 174.94 175.00 3hkt s ASP 34 N 2.85 6.29 0.27 3.58 2.15 -1.26 -0.91 116.67 129.64 3hkt s ASP 34 Ca 0.04 -0.40 0.19 0.00 0.43 0.00 0.00 52.55 52.81 3hkt s ASP 34 Cb -0.26 -2.48 1.00 0.00 -0.30 0.00 0.00 42.92 40.88 3hkt s ASP 34 CO 0.06 -1.45 1.57 0.35 -0.17 0.00 0.00 175.17 175.53 3hkt n THR 35 N 6.28 1.17 0.61 1.71 -2.24 -1.26 -1.65 114.28 118.90 3hkt n THR 35 Ca 0.02 0.69 0.07 0.00 -2.27 0.00 0.00 64.05 62.56 3hkt n THR 35 Cb 0.48 -1.69 0.05 0.00 -2.10 0.00 0.00 70.33 67.07 3hkt n THR 35 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3hkt n HIS 36 N -2.15 0.00 -0.02 4.78 8.25 -1.26 -4.12 115.22 120.70 3hkt n HIS 36 Ca -0.01 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.48 3hkt n HIS 36 Cb 0.03 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.05 3hkt n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3hkt n THR 37 N 0.60 0.22 -2.02 1.59 -1.04 -0.66 -5.00 114.28 107.97 3hkt n THR 37 Ca 0.08 -0.35 -0.41 0.00 -2.04 0.00 0.00 64.05 61.33 3hkt n THR 37 Cb 0.35 -0.03 -0.02 0.00 -1.82 0.00 0.00 70.33 68.80 3hkt n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hkt s ALA 38 N -2.73 3.60 -0.32 2.41 0.00 -0.83 -4.87 121.76 119.03 3hkt s ALA 38 Ca -0.05 1.32 -0.11 0.00 0.00 0.00 0.00 51.96 53.13 3hkt s ALA 38 Cb 0.07 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 3hkt s ALA 38 CO 0.52 -0.74 0.18 0.21 0.00 0.00 0.00 175.76 175.94 3hkt s LYS 39 N -0.70 3.44 0.27 0.00 2.47 -0.97 -4.79 119.74 119.45 3hkt s LYS 39 Ca 0.57 -0.66 -0.31 0.00 -1.56 0.00 0.00 55.97 54.01 3hkt s LYS 39 Cb -0.42 -3.65 -0.12 0.00 -1.46 0.00 0.00 37.83 32.18 3hkt s LYS 39 CO 0.46 -0.41 1.63 0.98 0.16 0.00 0.00 175.35 178.17 3hkt n TYR 40 N 5.03 2.81 -3.82 4.03 9.36 -1.26 -1.03 117.16 132.28 3hkt n TYR 40 Ca -0.13 0.20 -0.30 0.00 3.32 0.00 0.00 57.90 60.99 3hkt n TYR 40 Cb 0.50 -2.61 -0.14 0.00 -0.63 0.00 0.00 39.34 36.45 3hkt n TYR 40 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3hkt s ASP 41 N 0.67 4.10 0.00 2.98 -1.08 -0.76 -4.88 116.67 117.70 3hkt s ASP 41 Ca 0.67 -2.27 0.06 0.00 -0.52 0.00 0.00 52.55 50.49 3hkt s ASP 41 Cb -0.50 -1.19 0.27 0.00 -1.46 0.00 0.00 42.92 40.04 3hkt s ASP 41 CO 0.44 -0.33 1.08 -0.81 0.52 0.00 0.00 175.17 176.07 3hkt n PRO 42 N 4.04 0.05 -0.06 4.34 -0.04 -1.26 -1.54 135.00 140.53 3hkt n PRO 42 Ca 0.04 0.29 0.11 0.00 -0.04 0.00 0.00 63.50 63.90 3hkt n PRO 42 Cb 0.38 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.47 3hkt n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3hkt n SER 43 N -1.36 3.08 -4.68 3.54 3.41 -1.26 -4.87 113.62 111.47 3hkt n SER 43 Ca 0.02 -1.96 -0.42 0.00 -0.26 0.00 0.00 58.87 56.25 3hkt n SER 43 Cb 0.05 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 63.89 3hkt n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hkt s LEU 44 N -1.75 4.28 0.89 1.04 1.43 -0.59 -5.03 118.68 118.96 3hkt s LEU 44 Ca 0.30 1.95 -0.11 0.00 -1.03 0.00 0.00 54.13 55.25 3hkt s LEU 44 Cb 0.20 -3.55 0.13 0.00 0.03 0.00 0.00 46.19 43.00 3hkt s LEU 44 CO 0.29 -0.69 1.11 -0.54 0.23 0.00 0.00 176.35 176.75 3hkt s LYS 45 N 2.61 1.24 0.60 1.70 1.02 -1.23 -4.93 119.74 120.74 3hkt s LYS 45 Ca 0.60 1.22 -0.19 0.00 0.02 0.00 0.00 55.97 57.62 3hkt s LYS 45 Cb -0.28 -1.78 -0.03 0.00 -0.52 0.00 0.00 37.83 35.22 3hkt s LYS 45 CO 0.23 -2.37 1.25 -2.14 -0.92 0.00 0.00 175.35 171.40 3hkt s PRO 46 N -4.76 2.92 0.37 -1.68 0.02 -1.26 -2.89 135.00 127.72 3hkt s PRO 46 Ca 0.65 1.93 -0.24 0.00 0.02 0.00 0.00 61.00 63.35 3hkt s PRO 46 Cb -0.20 -1.96 -0.10 0.00 0.02 0.00 0.00 34.50 32.26 3hkt s PRO 46 CO 0.58 -1.28 0.99 -1.17 -0.33 0.00 0.00 177.00 175.79 3hkt s LEU 47 N -4.04 4.20 -0.28 -5.54 0.20 -1.26 -1.42 118.68 110.54 3hkt s LEU 47 Ca 0.78 1.90 0.01 0.00 0.69 0.00 0.00 54.13 57.51 3hkt s LEU 47 Cb -0.33 -4.16 0.08 0.00 -0.43 0.00 0.00 46.19 41.35 3hkt s LEU 47 CO 0.36 -0.29 0.03 -0.55 -0.29 0.00 0.00 176.35 175.61 3hkt s SER 48 N -1.67 4.02 -0.29 3.68 0.15 0.66 -4.86 113.70 115.38 3hkt s SER 48 Ca 0.55 -1.50 -0.10 0.00 0.70 0.00 0.00 55.95 55.60 3hkt s SER 48 Cb -0.19 -1.12 -0.02 0.00 -1.71 0.00 0.00 66.02 62.98 3hkt s SER 48 CO 0.24 -0.33 0.15 -0.69 1.20 0.00 0.00 173.24 173.81 3hkt s VAL 49 N 1.41 4.75 -0.68 4.45 1.01 -1.26 -1.22 120.40 128.86 3hkt s VAL 49 Ca 0.03 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 61.83 3hkt s VAL 49 Cb -0.18 -3.35 0.17 0.00 0.00 0.00 0.00 36.38 33.01 3hkt s VAL 49 CO -0.13 0.15 0.48 -0.44 0.00 0.00 0.00 175.10 175.16 3hkt s SER 50 N 1.65 4.51 -0.15 3.32 0.01 -0.30 -4.88 113.70 117.86 3hkt s SER 50 Ca 0.06 -3.80 0.16 0.00 1.31 0.00 0.00 55.95 53.68 3hkt s SER 50 Cb -0.16 -1.52 0.67 0.00 0.21 0.00 0.00 66.02 65.22 3hkt s SER 50 CO 0.07 -0.09 1.58 -1.22 0.41 0.00 0.00 173.24 174.00 3hkt n TYR 51 N 2.03 1.44 -0.27 2.43 4.01 -1.26 -1.67 117.16 123.87 3hkt n TYR 51 Ca 0.21 -0.70 0.03 0.00 -0.16 0.00 0.00 57.90 57.28 3hkt n TYR 51 Cb 0.36 -0.32 0.16 0.00 -0.31 0.00 0.00 39.34 39.24 3hkt n TYR 51 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 3hkt h ASP 52 N 3.35 0.54 -0.58 7.72 -0.00 -1.90 -2.97 116.42 122.59 3hkt h ASP 52 Ca 0.00 0.06 -0.12 0.00 -0.00 0.00 0.00 57.03 56.97 3hkt h ASP 52 Cb 1.54 -0.03 -0.07 0.00 -0.00 0.00 0.00 39.33 40.76 3hkt h ASP 52 CO 0.28 0.29 0.13 0.00 -0.00 0.00 0.00 179.24 179.95 3hkt n GLN 53 N -4.83 3.69 -1.74 0.28 1.13 -1.26 -5.01 117.38 109.65 3hkt n GLN 53 Ca 0.13 -3.07 -0.42 0.00 -1.94 0.00 0.00 57.00 51.70 3hkt n GLN 53 Cb 0.30 -2.13 -0.03 0.00 0.11 0.00 0.00 30.24 28.50 3hkt n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hkt s ALA 54 N -2.94 3.88 -0.54 -1.58 0.00 -1.12 -4.41 121.76 115.05 3hkt s ALA 54 Ca 0.52 1.53 -0.02 0.00 0.00 0.00 0.00 51.96 54.00 3hkt s ALA 54 Cb 0.41 -3.71 0.14 0.00 0.00 0.00 0.00 23.12 19.96 3hkt s ALA 54 CO 0.12 -1.01 0.33 0.99 0.00 0.00 0.00 175.76 176.19 3hkt s THR 55 N 1.66 3.37 0.44 0.00 2.01 -1.26 -4.90 115.64 116.95 3hkt s THR 55 Ca 0.76 -2.74 -0.22 0.00 0.31 0.00 0.00 61.69 59.80 3hkt s THR 55 Cb -0.48 -3.25 -0.10 0.00 0.01 0.00 0.00 72.50 68.68 3hkt s THR 55 CO 0.33 -0.80 1.00 -0.94 -0.69 0.00 0.00 174.62 173.52 3hkt s SER 56 N 0.86 6.72 0.00 3.53 1.04 -1.26 -0.78 113.70 123.81 3hkt s SER 56 Ca 0.14 1.85 0.00 0.00 0.48 0.00 0.00 55.95 58.42 3hkt s SER 56 Cb -0.22 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.35 3hkt s SER 56 CO -0.03 -0.51 0.00 0.18 0.98 0.00 0.00 173.24 173.85 3hkt n LEU 57 N -0.56 0.43 -3.66 2.42 4.77 -0.15 -3.96 117.00 116.29 3hkt n LEU 57 Ca 0.07 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.90 3hkt n LEU 57 Cb 0.52 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 3hkt n LEU 57 CO 0.40 0.04 0.20 -0.60 -1.33 0.00 0.00 177.39 176.11 3hkt s ARG 58 N -1.99 0.79 -0.07 3.23 3.52 -1.24 -0.80 118.95 122.40 3hkt s ARG 58 Ca 0.00 0.14 0.04 0.00 -0.13 0.00 0.00 55.73 55.78 3hkt s ARG 58 Cb 0.00 0.37 -0.02 0.00 -1.56 0.00 0.00 34.95 33.74 3hkt s ARG 58 CO 0.00 -0.21 -0.19 -1.50 -0.81 0.00 0.00 175.30 172.58 3hkt s ILE 59 N -0.98 2.57 -0.04 4.11 2.07 -0.52 -1.45 121.20 126.97 3hkt s ILE 59 Ca -0.10 -0.88 0.02 0.00 -1.41 0.00 0.00 60.65 58.28 3hkt s ILE 59 Cb -0.03 -1.99 0.01 0.00 0.13 0.00 0.00 42.46 40.58 3hkt s ILE 59 CO 0.06 0.57 -0.06 -0.22 -1.91 0.00 0.00 174.94 173.37 3hkt s LEU 60 N -0.25 1.57 -0.42 8.50 2.96 -0.52 -1.08 118.68 129.44 3hkt s LEU 60 Ca 0.00 -0.15 -0.23 0.00 -0.22 0.00 0.00 54.13 53.53 3hkt s LEU 60 Cb -0.13 -0.49 0.02 0.00 0.50 0.00 0.00 46.19 46.09 3hkt s LEU 60 CO 0.03 0.00 0.77 0.21 -1.32 0.00 0.00 176.35 176.04 3hkt s ASN 61 N 0.56 6.44 -0.14 3.68 3.84 -0.10 -0.77 114.94 128.45 3hkt s ASN 61 Ca -0.08 0.00 0.17 0.00 0.21 0.00 0.00 52.86 53.16 3hkt s ASN 61 Cb -0.12 -2.38 0.74 0.00 -0.55 0.00 0.00 41.25 38.94 3hkt s ASN 61 CO 0.01 -0.85 1.65 -0.46 -2.79 0.00 0.00 177.10 174.66 3hkt n ASN 62 N 6.59 4.95 0.00 -4.21 0.23 -0.86 -0.08 115.26 121.88 3hkt n ASN 62 Ca 0.02 -2.56 0.00 0.00 -0.53 0.00 0.00 54.58 51.51 3hkt n ASN 62 Cb 0.48 -0.61 0.00 0.00 -2.08 0.00 0.00 39.78 37.58 3hkt n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hkt n GLY 63 N 1.00 0.74 0.00 4.83 0.00 -1.26 -4.72 105.19 105.78 3hkt n GLY 63 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3hkt n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hkt n HIS 64 N -2.00 0.00 -2.75 1.61 8.25 -1.26 -4.70 115.22 114.36 3hkt n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3hkt n HIS 64 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3hkt n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hkt n ALA 65 N -2.13 0.00 -2.43 -1.41 0.00 -1.26 -4.85 120.51 108.42 3hkt n ALA 65 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 3hkt n ALA 65 Cb 0.45 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.75 3hkt n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3hkt s PHE 66 N -5.47 1.86 -0.17 0.00 -0.71 -1.26 -2.04 117.98 110.20 3hkt s PHE 66 Ca 0.00 -0.36 -0.02 0.00 -1.04 0.00 0.00 56.93 55.51 3hkt s PHE 66 Cb 0.00 -1.18 -0.01 0.00 -1.21 0.00 0.00 43.02 40.62 3hkt s PHE 66 CO 0.00 0.00 -0.09 -0.80 -1.34 0.00 0.00 175.22 172.99 3hkt s ASN 67 N -0.66 4.22 -0.32 1.98 0.02 0.05 -4.34 114.94 115.88 3hkt s ASN 67 Ca 0.08 -0.32 -0.18 0.00 -1.02 0.00 0.00 52.86 51.42 3hkt s ASN 67 Cb -0.08 -1.68 -0.01 0.00 0.02 0.00 0.00 41.25 39.50 3hkt s ASN 67 CO -0.00 0.10 0.52 -0.69 0.02 0.00 0.00 177.10 177.05 3hkt s VAL 68 N 0.75 5.02 0.03 1.60 1.01 -0.41 -1.43 120.40 126.97 3hkt s VAL 68 Ca -0.04 0.52 -0.05 0.00 0.00 0.00 0.00 61.98 62.42 3hkt s VAL 68 Cb -0.15 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 3hkt s VAL 68 CO 0.02 -0.14 0.26 -1.61 0.00 0.00 0.00 175.10 173.63 3hkt s GLU 69 N 2.40 3.54 0.17 2.72 2.02 -0.53 -1.52 118.70 127.51 3hkt s GLU 69 Ca 0.20 -0.17 0.11 0.00 0.02 0.00 0.00 54.97 55.13 3hkt s GLU 69 Cb -0.15 -3.05 -0.04 0.00 0.10 0.00 0.00 34.13 30.99 3hkt s GLU 69 CO 0.12 0.62 -0.25 -0.06 0.02 0.00 0.00 175.26 175.72 3hkt s PHE 70 N -1.38 2.28 -0.41 1.61 0.40 -0.11 -0.97 117.98 119.39 3hkt s PHE 70 Ca 0.30 -0.37 -0.28 0.00 -0.60 0.00 0.00 56.93 55.99 3hkt s PHE 70 Cb -0.13 -1.16 -0.02 0.00 0.51 0.00 0.00 43.02 42.22 3hkt s PHE 70 CO 0.19 0.44 1.88 0.34 0.70 0.00 0.00 175.22 178.77 3hkt s ASP 71 N -2.47 5.60 -0.34 1.36 -1.08 0.04 -4.80 116.67 114.99 3hkt s ASP 71 Ca 0.18 1.05 0.07 0.00 -0.52 0.00 0.00 52.55 53.34 3hkt s ASP 71 Cb -0.08 -2.52 0.53 0.00 -1.46 0.00 0.00 42.92 39.38 3hkt s ASP 71 CO 0.08 -1.98 1.56 -0.90 0.52 0.00 0.00 175.17 174.45 3hkt n ASP 72 N 11.40 2.96 0.07 -0.34 5.75 -1.26 -4.63 116.55 130.50 3hkt n ASP 72 Ca 0.23 -3.77 0.13 0.00 -0.01 0.00 0.00 54.79 51.37 3hkt n ASP 72 Cb 0.49 -0.67 0.47 0.00 -1.03 0.00 0.00 41.12 40.38 3hkt n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3hkt n SER 73 N -1.11 0.49 -3.66 -1.12 3.41 -1.26 -4.84 113.62 105.53 3hkt n SER 73 Ca 0.40 0.56 -0.15 0.00 -0.26 0.00 0.00 58.87 59.42 3hkt n SER 73 Cb 1.13 -0.69 -0.08 0.00 -0.26 0.00 0.00 64.21 64.32 3hkt n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3hkt s GLN 74 N -3.09 1.59 -1.19 4.33 -0.21 -1.26 -5.07 119.66 114.75 3hkt s GLN 74 Ca 0.11 -1.77 -0.17 0.00 0.02 0.00 0.00 55.36 53.54 3hkt s GLN 74 Cb 0.14 0.35 -0.03 0.00 1.00 0.00 0.00 33.01 34.46 3hkt s GLN 74 CO 0.52 -0.60 2.08 -0.25 -2.12 0.00 0.00 175.29 174.93 3hkt n ASP 75 N -1.00 3.42 0.00 5.90 8.00 -1.26 -4.75 116.55 126.86 3hkt n ASP 75 Ca 0.04 -2.78 0.00 0.00 0.71 0.00 0.00 54.79 52.75 3hkt n ASP 75 Cb 0.63 -1.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.26 3hkt n ASP 75 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hkt n LYS 76 N 6.63 0.00 -3.31 -1.24 5.02 -1.26 -4.85 118.16 119.16 3hkt n LYS 76 Ca 0.51 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.39 3hkt n LYS 76 Cb 0.40 -0.34 -0.08 0.00 -0.02 0.00 0.00 35.03 34.98 3hkt n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hkt s ALA 77 N -4.18 3.50 0.14 7.82 0.00 -1.26 -4.33 121.76 123.44 3hkt s ALA 77 Ca 0.00 -1.05 0.07 0.00 0.00 0.00 0.00 51.96 50.99 3hkt s ALA 77 Cb 0.00 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 3hkt s ALA 77 CO 0.00 -1.10 -0.16 0.14 0.00 0.00 0.00 175.76 174.63 3hkt s VAL 78 N 2.23 1.58 -0.16 0.00 -7.23 -0.67 -1.46 120.40 114.68 3hkt s VAL 78 Ca 0.16 -1.78 -0.00 0.00 -1.81 0.00 0.00 61.98 58.55 3hkt s VAL 78 Cb -0.16 -1.66 -0.00 0.00 0.56 0.00 0.00 36.38 35.12 3hkt s VAL 78 CO 0.12 -0.34 -0.15 -0.22 -0.31 0.00 0.00 175.10 174.21 3hkt s LEU 79 N -2.48 2.50 0.24 1.32 2.96 0.29 -1.15 118.68 122.37 3hkt s LEU 79 Ca 0.11 -0.46 -0.00 0.00 -0.22 0.00 0.00 54.13 53.56 3hkt s LEU 79 Cb -0.06 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 3hkt s LEU 79 CO 0.05 0.08 0.22 -0.54 -1.32 0.00 0.00 176.35 174.83 3hkt s LYS 80 N 0.86 1.41 1.96 1.98 1.02 -0.36 -1.75 119.74 124.85 3hkt s LYS 80 Ca -0.04 -1.69 0.00 0.00 0.02 0.00 0.00 55.97 54.25 3hkt s LYS 80 Cb -0.15 0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.47 3hkt s LYS 80 CO -0.01 -0.50 0.00 0.41 -0.92 0.00 0.00 175.35 174.33 3hkt n GLY 81 N -0.38 -1.15 7.00 -3.33 0.00 -1.26 -0.25 105.19 105.82 3hkt n GLY 81 Ca 0.03 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.82 3hkt n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkt n GLY 82 N 0.00 3.72 0.22 -0.02 0.00 -0.50 -1.54 105.19 107.07 3hkt n GLY 82 Ca 0.00 -0.05 0.15 0.00 0.00 0.00 0.00 46.02 46.12 3hkt n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hkt n PRO 83 N 14.00 1.22 -3.40 1.61 -0.04 -1.26 -3.51 135.00 143.61 3hkt n PRO 83 Ca 0.00 -0.44 -0.34 0.00 -0.04 0.00 0.00 63.50 62.68 3hkt n PRO 83 Cb 0.00 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 31.91 3hkt n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hkt s LEU 84 N -2.08 4.29 -0.21 1.53 1.43 -0.59 -5.07 118.68 117.99 3hkt s LEU 84 Ca 0.40 1.00 -0.08 0.00 -1.03 0.00 0.00 54.13 54.43 3hkt s LEU 84 Cb 0.21 -3.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.05 3hkt s LEU 84 CO 0.37 0.07 0.07 -0.62 0.23 0.00 0.00 176.35 176.47 3hkt s ASP 85 N -1.89 5.52 0.27 2.29 -1.08 -1.26 -4.23 116.67 116.28 3hkt s ASP 85 Ca 0.40 -0.01 0.00 0.00 -0.52 0.00 0.00 52.55 52.42 3hkt s ASP 85 Cb -0.14 -1.96 0.00 0.00 -1.46 0.00 0.00 42.92 39.36 3hkt s ASP 85 CO 0.20 0.10 0.00 0.61 0.52 0.00 0.00 175.17 176.59 3hkt n GLY 86 N 4.04 -0.49 3.38 2.66 0.00 -1.26 -4.90 105.19 108.62 3hkt n GLY 86 Ca -0.16 -1.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.44 3hkt n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hkt s THR 87 N 0.00 2.70 -0.14 2.61 2.01 -1.26 -4.57 115.64 116.98 3hkt s THR 87 Ca 0.00 -0.84 0.02 0.00 0.31 0.00 0.00 61.69 61.18 3hkt s THR 87 Cb 0.00 -2.05 0.01 0.00 0.01 0.00 0.00 72.50 70.47 3hkt s THR 87 CO 0.00 0.57 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.98 3hkt s TYR 88 N -0.32 2.58 -0.10 4.92 1.51 -0.72 -2.05 117.35 123.18 3hkt s TYR 88 Ca 0.02 -1.32 -0.18 0.00 -1.01 0.00 0.00 57.07 54.58 3hkt s TYR 88 Cb -0.13 -1.77 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 3hkt s TYR 88 CO 0.02 -0.62 0.48 0.50 -1.11 0.00 0.00 175.55 174.82 3hkt s ARG 89 N 0.90 4.29 0.14 -0.62 3.52 0.46 -0.55 118.95 127.10 3hkt s ARG 89 Ca -0.05 0.46 -0.31 0.00 -0.13 0.00 0.00 55.73 55.70 3hkt s ARG 89 Cb -0.15 -3.40 -0.08 0.00 -1.56 0.00 0.00 34.95 29.75 3hkt s ARG 89 CO -0.03 0.24 1.35 -1.17 -0.81 0.00 0.00 175.30 174.87 3hkt s LEU 90 N 0.36 4.39 -0.00 -0.88 2.96 -0.54 -0.78 118.68 124.19 3hkt s LEU 90 Ca 0.26 2.33 0.00 0.00 -0.22 0.00 0.00 54.13 56.50 3hkt s LEU 90 Cb -0.15 -3.59 -0.00 0.00 0.50 0.00 0.00 46.19 42.94 3hkt s LEU 90 CO 0.11 -0.59 0.00 0.00 -1.32 0.00 0.00 176.35 174.55 3hkt n ILE 91 N 3.46 0.02 -3.57 6.68 3.06 -0.59 -4.47 119.36 123.94 3hkt n ILE 91 Ca 0.09 -0.01 -0.08 0.00 -2.50 0.00 0.00 62.75 60.25 3hkt n ILE 91 Cb 0.43 -0.90 -0.04 0.00 0.54 0.00 0.00 39.64 39.67 3hkt n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3hkt s GLN 92 N -2.01 0.54 0.22 9.51 1.03 -1.23 -0.94 119.66 126.78 3hkt s GLN 92 Ca -0.00 -0.01 0.08 0.00 0.04 0.00 0.00 55.36 55.47 3hkt s GLN 92 Cb 0.00 0.25 -0.05 0.00 0.03 0.00 0.00 33.01 33.24 3hkt s GLN 92 CO 0.01 -0.20 -0.15 -0.59 -2.54 0.00 0.00 175.29 171.82 3hkt s PHE 93 N -1.78 1.80 0.35 9.60 -0.12 -0.58 -0.66 117.98 126.59 3hkt s PHE 93 Ca 0.03 -0.54 -0.17 0.00 -0.05 0.00 0.00 56.93 56.20 3hkt s PHE 93 Cb -0.01 -0.83 0.04 0.00 -0.63 0.00 0.00 43.02 41.60 3hkt s PHE 93 CO -0.03 0.41 0.76 -3.38 -0.05 0.00 0.00 175.22 172.93 3hkt s HIS 94 N -2.91 0.05 0.27 3.49 -3.43 -0.66 -1.28 115.29 110.83 3hkt s HIS 94 Ca 0.24 -0.65 0.08 0.00 -0.80 0.00 0.00 55.06 53.92 3hkt s HIS 94 Cb -0.01 0.77 -0.06 0.00 -1.43 0.00 0.00 32.58 31.85 3hkt s HIS 94 CO 0.08 -1.46 -0.09 -0.06 -2.00 0.00 0.00 174.74 171.21 3hkt s PHE 95 N -2.83 2.00 -0.02 0.38 0.40 -1.26 0.00 117.98 116.65 3hkt s PHE 95 Ca 0.15 -0.62 0.03 0.00 -0.60 0.00 0.00 56.93 55.89 3hkt s PHE 95 Cb -0.05 -1.08 -0.00 0.00 0.51 0.00 0.00 43.02 42.39 3hkt s PHE 95 CO 0.10 0.37 -0.11 -1.01 0.70 0.00 0.00 175.22 175.28 3hkt s HIS 96 N -2.91 1.04 0.31 0.36 3.76 -0.61 -4.76 115.29 112.48 3hkt s HIS 96 Ca 0.29 -0.24 -0.12 0.00 -0.15 0.00 0.00 55.06 54.84 3hkt s HIS 96 Cb 0.02 -0.71 0.01 0.00 1.11 0.00 0.00 32.58 33.01 3hkt s HIS 96 CO 0.12 -0.07 0.57 1.67 -0.85 0.00 0.00 174.74 176.18 3hkt s TRP 97 N 0.00 0.44 0.51 1.40 -2.14 -1.16 -0.38 118.94 117.62 3hkt s TRP 97 Ca -0.00 -0.85 0.04 0.00 2.66 0.00 0.00 56.10 57.95 3hkt s TRP 97 Cb -0.07 0.32 0.00 0.00 -3.10 0.00 0.00 33.47 30.62 3hkt s TRP 97 CO 0.00 -1.19 0.18 0.20 -2.66 0.00 0.00 176.95 173.49 3hkt s GLY 98 N -3.08 2.69 0.14 3.67 0.00 -1.14 -1.32 107.32 108.30 3hkt s GLY 98 Ca 0.22 -0.91 0.25 0.00 0.00 0.00 0.00 44.72 44.28 3hkt s GLY 98 CO 0.12 -2.07 1.58 -1.14 0.00 0.00 0.00 173.10 171.59 3hkt n SER 99 N -1.46 0.69 -4.02 1.64 3.41 -1.26 -4.32 113.62 108.29 3hkt n SER 99 Ca -0.10 0.33 -0.09 0.00 -0.26 0.00 0.00 58.87 58.75 3hkt n SER 99 Cb 0.66 -0.32 -0.08 0.00 -0.26 0.00 0.00 64.21 64.21 3hkt n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hkt s LEU 100 N -4.20 1.42 0.47 1.04 1.43 -1.26 -5.07 118.68 112.52 3hkt s LEU 100 Ca 0.09 -0.96 0.21 0.00 -1.03 0.00 0.00 54.13 52.45 3hkt s LEU 100 Cb 0.14 0.79 1.17 0.00 0.03 0.00 0.00 46.19 48.32 3hkt s LEU 100 CO 0.65 -0.79 1.99 0.44 0.23 0.00 0.00 176.35 178.87 3hkt h ASP 101 N 2.73 0.00 0.05 2.29 3.32 -1.91 -2.94 116.42 119.96 3hkt h ASP 101 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 3hkt h ASP 101 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3hkt h ASP 101 CO 0.54 0.19 0.00 0.61 -1.72 0.00 0.00 179.24 178.87 3hkt n GLY 102 N -0.65 -0.76 3.19 2.75 0.00 -1.26 -3.38 105.19 105.08 3hkt n GLY 102 Ca -0.02 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 3hkt n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hkt s GLN 103 N -2.07 0.79 0.00 1.61 -2.07 -1.11 -4.64 119.66 112.17 3hkt s GLN 103 Ca 0.33 -0.92 0.00 0.00 -1.82 0.00 0.00 55.36 52.95 3hkt s GLN 103 Cb 0.16 0.32 0.00 0.00 -1.09 0.00 0.00 33.01 32.40 3hkt s GLN 103 CO 0.28 -0.24 0.00 0.41 -1.32 0.00 0.00 175.29 174.42 3hkt n GLY 104 N 0.10 1.31 3.83 2.60 0.00 -0.91 -3.16 105.19 108.96 3hkt n GLY 104 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 3hkt n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hkt s SER 105 N 0.00 5.76 -0.12 1.61 1.04 -0.33 -3.00 113.70 118.67 3hkt s SER 105 Ca 0.00 1.57 -0.08 0.00 0.48 0.00 0.00 55.95 57.92 3hkt s SER 105 Cb 0.00 -2.49 -0.03 0.00 0.10 0.00 0.00 66.02 63.60 3hkt s SER 105 CO 0.00 -1.19 -0.16 -0.62 0.98 0.00 0.00 173.24 172.25 3hkt n GLU 106 N -2.81 0.37 -1.85 4.02 1.02 -1.26 -4.80 120.64 115.33 3hkt n GLU 106 Ca 0.07 0.45 -0.35 0.00 -0.02 0.00 0.00 57.16 57.31 3hkt n GLU 106 Cb 0.54 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.51 3hkt n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3hkt s HIS 107 N -2.06 2.33 0.12 -0.32 3.76 -1.26 -4.12 115.29 113.73 3hkt s HIS 107 Ca -0.13 1.54 0.08 0.00 -0.15 0.00 0.00 55.06 56.40 3hkt s HIS 107 Cb 0.02 -3.46 -0.04 0.00 1.11 0.00 0.00 32.58 30.21 3hkt s HIS 107 CO 0.19 -2.28 -0.20 0.95 -0.85 0.00 0.00 174.74 172.56 3hkt s THR 108 N -1.74 1.72 -0.26 1.30 -4.23 -1.15 -4.72 115.64 106.55 3hkt s THR 108 Ca 0.76 -1.65 -0.02 0.00 -1.18 0.00 0.00 61.69 59.60 3hkt s THR 108 Cb -0.29 -1.62 0.03 0.00 1.34 0.00 0.00 72.50 71.95 3hkt s THR 108 CO 0.37 -0.15 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.57 3hkt s VAL 109 N -1.44 2.92 -1.48 2.29 1.01 -0.68 -0.31 120.40 122.70 3hkt s VAL 109 Ca 0.09 -1.13 -0.04 0.00 0.00 0.00 0.00 61.98 60.90 3hkt s VAL 109 Cb -0.09 -2.54 0.03 0.00 0.00 0.00 0.00 36.38 33.78 3hkt s VAL 109 CO 0.05 0.11 0.45 0.47 0.00 0.00 0.00 175.10 176.17 3hkt n ASP 110 N 4.66 -0.79 0.00 3.32 8.00 -0.08 -0.73 116.55 130.93 3hkt n ASP 110 Ca -0.15 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.31 3hkt n ASP 110 Cb 0.46 -2.85 0.00 0.00 -0.02 0.00 0.00 41.12 38.71 3hkt n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hkt n LYS 111 N -4.42 0.00 -2.16 -1.24 4.76 -1.26 -4.99 118.16 108.84 3hkt n LYS 111 Ca -0.24 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.78 3hkt n LYS 111 Cb 0.65 -2.51 -0.03 0.00 -1.84 0.00 0.00 35.03 31.30 3hkt n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3hkt s LYS 112 N -0.06 4.22 -0.13 1.97 2.20 0.09 -4.98 119.74 123.05 3hkt s LYS 112 Ca 0.00 2.01 -0.23 0.00 -0.36 0.00 0.00 55.97 57.38 3hkt s LYS 112 Cb 0.00 -3.83 -0.03 0.00 -1.51 0.00 0.00 37.83 32.47 3hkt s LYS 112 CO 0.00 -0.75 0.72 0.15 -0.36 0.00 0.00 175.35 175.11 3hkt s LYS 113 N 3.50 4.34 0.70 4.03 1.02 -1.26 -1.69 119.74 130.38 3hkt s LYS 113 Ca 0.66 0.86 -0.05 0.00 0.02 0.00 0.00 55.97 57.46 3hkt s LYS 113 Cb -0.30 -3.52 0.07 0.00 -0.52 0.00 0.00 37.83 33.57 3hkt s LYS 113 CO 0.25 -0.13 0.99 0.71 -0.92 0.00 0.00 175.35 176.25 3hkt s TYR 114 N 1.47 2.65 0.27 3.18 2.02 -1.26 -4.51 117.35 121.17 3hkt s TYR 114 Ca 0.36 0.26 0.07 0.00 -0.37 0.00 0.00 57.07 57.38 3hkt s TYR 114 Cb -0.17 -3.15 0.36 0.00 -0.40 0.00 0.00 41.96 38.59 3hkt s TYR 114 CO 0.15 -1.43 1.63 0.00 -1.57 0.00 0.00 175.55 174.32 3hkt h ALA 115 N -0.54 0.98 -2.90 3.71 0.00 -1.29 -0.72 119.26 118.50 3hkt h ALA 115 Ca -0.43 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.02 3hkt h ALA 115 Cb 1.30 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.91 3hkt h ALA 115 CO 0.55 0.68 0.26 0.00 0.00 0.00 0.00 179.25 180.74 3hkt s ALA 116 N -3.87 -1.49 -0.04 0.00 0.00 -1.13 -2.86 121.76 112.37 3hkt s ALA 116 Ca -0.04 0.24 -0.01 0.00 0.00 0.00 0.00 51.96 52.16 3hkt s ALA 116 Cb 0.13 0.82 0.03 0.00 0.00 0.00 0.00 23.12 24.09 3hkt s ALA 116 CO 0.78 -0.87 0.01 -2.00 0.00 0.00 0.00 175.76 173.68 3hkt s GLU 117 N -3.72 0.31 0.02 0.00 2.12 0.49 -1.11 118.70 116.81 3hkt s GLU 117 Ca 0.05 0.15 -0.23 0.00 0.36 0.00 0.00 54.97 55.30 3hkt s GLU 117 Cb -0.03 -0.62 -0.05 0.00 0.26 0.00 0.00 34.13 33.69 3hkt s GLU 117 CO -0.05 -0.22 0.68 -1.17 -0.54 0.00 0.00 175.26 173.96 3hkt s LEU 118 N 1.52 4.43 -0.16 2.70 2.96 0.87 -1.57 118.68 129.43 3hkt s LEU 118 Ca -0.03 1.31 0.02 0.00 -0.22 0.00 0.00 54.13 55.20 3hkt s LEU 118 Cb -0.13 -3.08 0.02 0.00 0.50 0.00 0.00 46.19 43.50 3hkt s LEU 118 CO -0.03 0.06 -0.20 -1.00 -1.32 0.00 0.00 176.35 173.85 3hkt s HIS 119 N -0.11 2.66 -0.28 5.38 3.76 0.10 -1.09 115.29 125.71 3hkt s HIS 119 Ca 0.35 -1.47 -0.07 0.00 -0.15 0.00 0.00 55.06 53.72 3hkt s HIS 119 Cb -0.19 -1.83 -0.01 0.00 1.11 0.00 0.00 32.58 31.65 3hkt s HIS 119 CO 0.20 -0.71 0.09 -0.51 -0.85 0.00 0.00 174.74 172.96 3hkt s LEU 120 N 1.10 3.69 -0.21 0.89 1.43 -0.80 -1.66 118.68 123.13 3hkt s LEU 120 Ca -0.00 -0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 52.56 3hkt s LEU 120 Cb -0.14 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 3hkt s LEU 120 CO -0.08 -0.12 0.07 -0.69 0.23 0.00 0.00 176.35 175.76 3hkt s VAL 121 N 1.57 4.65 -0.01 -1.59 1.01 0.16 -1.11 120.40 125.08 3hkt s VAL 121 Ca 0.05 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.01 3hkt s VAL 121 Cb -0.16 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 3hkt s VAL 121 CO 0.03 0.40 -0.17 -1.00 0.00 0.00 0.00 175.10 174.36 3hkt s HIS 122 N 0.87 1.57 -0.03 5.22 3.76 -0.01 -1.54 115.29 125.14 3hkt s HIS 122 Ca 0.04 -0.30 0.03 0.00 -0.15 0.00 0.00 55.06 54.68 3hkt s HIS 122 Cb -0.14 -1.00 -0.03 0.00 1.11 0.00 0.00 32.58 32.52 3hkt s HIS 122 CO 0.03 -0.02 -0.10 1.67 -0.85 0.00 0.00 174.74 175.47 3hkt s TRP 123 N -0.43 2.82 -0.23 1.40 1.48 0.04 -0.33 118.94 123.69 3hkt s TRP 123 Ca 0.07 -0.07 -0.29 0.00 -1.06 0.00 0.00 56.10 54.74 3hkt s TRP 123 Cb -0.07 -1.63 -0.03 0.00 -1.16 0.00 0.00 33.47 30.58 3hkt s TRP 123 CO -0.01 0.30 1.77 1.21 -4.06 0.00 0.00 176.95 176.16 3hkt s ASN 124 N -1.08 6.14 0.61 -2.66 3.84 0.10 -0.40 114.94 121.48 3hkt s ASN 124 Ca 0.14 1.64 0.37 0.00 0.21 0.00 0.00 52.86 55.22 3hkt s ASN 124 Cb -0.11 -2.53 1.98 0.00 -0.55 0.00 0.00 41.25 40.04 3hkt s ASN 124 CO 0.04 -1.45 2.24 0.71 -2.79 0.00 0.00 177.10 175.84 3hkt h THR 125 N 6.42 0.20 0.00 -5.21 1.35 -1.75 -2.11 112.91 111.81 3hkt h THR 125 Ca -0.36 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 3hkt h THR 125 Cb 1.17 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 3hkt h THR 125 CO 1.00 0.02 0.11 0.07 -0.25 0.00 0.00 175.52 176.47 3hkt h LYS 126 N 0.00 0.00 -0.03 4.72 2.10 -1.91 -2.41 116.57 119.05 3hkt h LYS 126 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3hkt h LYS 126 Cb 0.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.48 3hkt h LYS 126 CO 0.00 0.00 -0.05 0.66 -2.00 0.00 0.00 179.45 178.06 3hkt n TYR 127 N -2.34 0.00 0.00 0.07 4.01 -0.79 -5.02 117.16 113.09 3hkt n TYR 127 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 3hkt n TYR 127 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 3hkt n TYR 127 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hkt n GLY 128 N 1.31 1.34 3.41 2.72 0.00 -0.91 -4.58 105.19 108.48 3hkt n GLY 128 Ca 0.13 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 3hkt n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3hkt s ASP 129 N 0.00 0.01 0.18 1.61 1.47 -1.26 -5.06 116.67 113.62 3hkt s ASP 129 Ca 0.00 -1.02 -0.13 0.00 1.18 0.00 0.00 52.55 52.58 3hkt s ASP 129 Cb 0.00 0.48 0.08 0.00 -0.34 0.00 0.00 42.92 43.14 3hkt s ASP 129 CO 0.00 -0.98 1.80 0.15 0.68 0.00 0.00 175.17 176.82 3hkt h PHE 130 N 2.45 0.78 -0.78 2.11 3.57 -1.94 -2.45 116.94 120.67 3hkt h PHE 130 Ca -0.30 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.20 3hkt h PHE 130 Cb 1.24 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 3hkt h PHE 130 CO 0.39 0.55 0.51 0.78 -2.23 0.00 0.00 178.31 178.31 3hkt h GLY 131 N 0.78 1.09 1.43 2.40 0.00 -1.97 -1.84 103.07 104.96 3hkt h GLY 131 Ca 0.21 -0.40 -0.22 0.00 0.00 0.00 0.00 47.33 46.91 3hkt h GLY 131 CO -0.04 0.38 -0.89 0.50 0.00 0.00 0.00 176.54 176.49 3hkt h LYS 132 N 1.02 0.53 -0.29 4.80 1.79 -1.82 -3.32 116.57 119.28 3hkt h LYS 132 Ca 0.29 -0.51 -0.09 0.00 -2.18 0.00 0.00 60.65 58.17 3hkt h LYS 132 Cb -0.07 0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 3hkt h LYS 132 CO -0.07 1.14 -0.18 0.00 -1.08 0.00 0.00 179.45 179.26 3hkt h ALA 133 N 0.69 1.14 0.00 3.86 0.00 -0.94 -2.85 119.26 121.17 3hkt h ALA 133 Ca -0.07 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3hkt h ALA 133 Cb 1.51 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3hkt h ALA 133 CO 0.16 0.54 0.00 1.33 0.00 0.00 0.00 179.25 181.28 3hkt n VAL 134 N -4.16 1.03 0.67 0.00 0.24 -0.74 -1.71 118.33 113.66 3hkt n VAL 134 Ca 0.00 0.67 0.11 0.00 -2.04 0.00 0.00 64.34 63.08 3hkt n VAL 134 Cb 0.37 -1.66 0.27 0.00 -1.47 0.00 0.00 33.84 31.35 3hkt n VAL 134 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hkt n GLN 135 N -2.24 2.18 -4.69 7.34 6.02 -1.07 -4.61 117.38 120.30 3hkt n GLN 135 Ca -0.01 -1.78 -0.30 0.00 -0.01 0.00 0.00 57.00 54.90 3hkt n GLN 135 Cb 0.06 -1.45 -0.14 0.00 1.02 0.00 0.00 30.24 29.72 3hkt n GLN 135 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3hkt s GLN 136 N -1.59 1.68 0.49 -1.09 -1.52 -0.69 -5.03 119.66 111.92 3hkt s GLN 136 Ca 0.36 -1.19 0.19 0.00 -1.95 0.00 0.00 55.36 52.77 3hkt s GLN 136 Cb 0.20 -1.97 1.23 0.00 -0.22 0.00 0.00 33.01 32.25 3hkt s GLN 136 CO 0.29 0.49 2.07 -1.00 -0.25 0.00 0.00 175.29 176.88 3hkt h PRO 137 N 4.42 0.00 -0.62 2.91 0.13 -1.86 -2.56 132.00 134.42 3hkt h PRO 137 Ca -0.48 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.29 3hkt h PRO 137 Cb 1.15 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.07 3hkt h PRO 137 CO 0.42 0.12 0.13 -0.40 -0.23 0.00 0.00 178.00 178.04 3hkt n ASP 138 N -4.18 3.63 0.07 1.44 5.75 -1.26 -4.14 116.55 117.85 3hkt n ASP 138 Ca -0.02 -3.75 -0.12 0.00 -0.01 0.00 0.00 54.79 50.88 3hkt n ASP 138 Cb 0.20 -0.70 -0.04 0.00 -1.03 0.00 0.00 41.12 39.55 3hkt n ASP 138 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3hkt h GLY 139 N 1.24 0.40 -3.88 6.12 0.00 -1.26 -3.43 103.07 102.26 3hkt h GLY 139 Ca 0.38 -0.71 -0.57 0.00 0.00 0.00 0.00 47.33 46.43 3hkt h GLY 139 CO 0.74 0.63 -0.82 1.08 0.00 0.00 0.00 176.54 178.17 3hkt s LEU 140 N -7.65 2.34 -0.11 3.11 1.43 0.19 0.01 118.68 118.01 3hkt s LEU 140 Ca -0.05 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 3hkt s LEU 140 Cb 0.09 -0.93 0.02 0.00 0.03 0.00 0.00 46.19 45.40 3hkt s LEU 140 CO 0.86 0.06 -0.10 0.00 0.23 0.00 0.00 176.35 177.40 3hkt s ALA 141 N -1.38 1.39 -0.15 4.21 0.00 0.55 -0.75 121.76 125.63 3hkt s ALA 141 Ca 0.10 -0.56 0.01 0.00 0.00 0.00 0.00 51.96 51.51 3hkt s ALA 141 Cb -0.09 -0.84 -0.00 0.00 0.00 0.00 0.00 23.12 22.19 3hkt s ALA 141 CO 0.05 -0.27 -0.17 0.08 0.00 0.00 0.00 175.76 175.45 3hkt s VAL 142 N 1.40 2.56 -0.49 0.00 1.01 -0.73 -0.83 120.40 123.33 3hkt s VAL 142 Ca -0.00 -0.81 -0.22 0.00 0.00 0.00 0.00 61.98 60.95 3hkt s VAL 142 Cb -0.13 -2.07 0.04 0.00 0.00 0.00 0.00 36.38 34.22 3hkt s VAL 142 CO -0.05 0.52 0.76 -0.22 0.00 0.00 0.00 175.10 176.11 3hkt s LEU 143 N 0.74 4.43 -0.17 3.92 2.96 -0.27 -1.68 118.68 128.61 3hkt s LEU 143 Ca -0.07 -0.41 -0.16 0.00 -0.22 0.00 0.00 54.13 53.26 3hkt s LEU 143 Cb -0.16 -2.76 -0.04 0.00 0.50 0.00 0.00 46.19 43.74 3hkt s LEU 143 CO 0.01 -0.97 0.41 -0.83 -1.32 0.00 0.00 176.35 173.65 3hkt s GLY 144 N 2.43 2.20 -0.09 7.98 0.00 0.86 -1.90 107.32 118.79 3hkt s GLY 144 Ca 0.25 -0.40 0.02 0.00 0.00 0.00 0.00 44.72 44.59 3hkt s GLY 144 CO 0.18 0.76 -0.13 -0.42 0.00 0.00 0.00 173.10 173.49 3hkt s ILE 145 N 0.99 1.31 0.39 0.90 1.01 -0.25 -0.80 121.20 124.75 3hkt s ILE 145 Ca 0.21 -0.54 -0.21 0.00 0.00 0.00 0.00 60.65 60.10 3hkt s ILE 145 Cb -0.15 -1.21 -0.10 0.00 0.01 0.00 0.00 42.46 41.01 3hkt s ILE 145 CO 0.08 0.40 0.91 -0.36 0.00 0.00 0.00 174.94 175.98 3hkt s PHE 146 N 0.94 3.41 -0.11 3.97 0.08 -1.26 -0.09 117.98 124.91 3hkt s PHE 146 Ca -0.09 1.59 0.04 0.00 0.12 0.00 0.00 56.93 58.59 3hkt s PHE 146 Cb -0.15 -2.82 0.00 0.00 -0.57 0.00 0.00 43.02 39.48 3hkt s PHE 146 CO -0.00 -0.00 -0.23 -0.51 -0.10 0.00 0.00 175.22 174.38 3hkt s LEU 147 N -2.87 2.11 0.34 -0.37 1.02 -0.26 -1.00 118.68 117.65 3hkt s LEU 147 Ca 0.58 -0.57 0.09 0.00 0.02 0.00 0.00 54.13 54.25 3hkt s LEU 147 Cb -0.11 -1.42 -0.06 0.00 0.02 0.00 0.00 46.19 44.62 3hkt s LEU 147 CO 0.16 0.14 -0.01 -1.59 0.02 0.00 0.00 176.35 175.07 3hkt s LYS 148 N 0.46 2.02 -0.14 1.70 -2.85 -0.45 -1.56 119.74 118.92 3hkt s LYS 148 Ca -0.16 -1.80 -0.11 0.00 -1.00 0.00 0.00 55.97 52.90 3hkt s LYS 148 Cb -0.17 -1.87 -0.05 0.00 -2.06 0.00 0.00 37.83 33.68 3hkt s LYS 148 CO 0.06 0.13 0.22 0.08 0.10 0.00 0.00 175.35 175.94 3hkt s VAL 149 N -2.54 5.35 0.00 1.79 1.01 -1.26 -0.82 120.40 123.93 3hkt s VAL 149 Ca 0.34 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.72 3hkt s VAL 149 Cb 0.01 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.85 3hkt s VAL 149 CO 0.19 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.38 3hkt n GLY 150 N 2.88 0.38 3.89 4.51 0.00 0.39 -4.87 105.19 112.38 3hkt n GLY 150 Ca -0.15 0.46 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 3hkt n GLY 150 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hkt s SER 151 N 2.00 5.94 0.48 1.61 1.04 -1.26 -4.05 113.70 119.46 3hkt s SER 151 Ca 0.00 1.05 -0.22 0.00 0.48 0.00 0.00 55.95 57.26 3hkt s SER 151 Cb 0.00 -2.12 -0.07 0.00 0.10 0.00 0.00 66.02 63.93 3hkt s SER 151 CO 0.00 -0.92 1.12 0.00 0.98 0.00 0.00 173.24 174.42 3hkt s ALA 152 N -3.04 2.90 -0.49 5.32 0.00 -1.26 -2.90 121.76 122.29 3hkt s ALA 152 Ca 0.53 0.81 -0.17 0.00 0.00 0.00 0.00 51.96 53.13 3hkt s ALA 152 Cb -0.11 -3.34 0.07 0.00 0.00 0.00 0.00 23.12 19.74 3hkt s ALA 152 CO 0.49 -0.56 0.49 0.21 0.00 0.00 0.00 175.76 176.39 3hkt s LYS 153 N -2.91 3.04 0.42 0.00 2.47 -1.22 -4.79 119.74 116.75 3hkt s LYS 153 Ca 0.66 -1.17 0.16 0.00 -1.56 0.00 0.00 55.97 54.05 3hkt s LYS 153 Cb -0.24 -4.12 0.92 0.00 -1.46 0.00 0.00 37.83 32.93 3hkt s LYS 153 CO 0.29 -1.11 1.91 -1.35 0.16 0.00 0.00 175.35 175.25 3hkt h PRO 154 N 8.86 0.00 0.00 4.03 0.11 -1.92 -1.78 132.00 141.30 3hkt h PRO 154 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3hkt h PRO 154 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3hkt h PRO 154 CO 0.92 0.27 0.00 0.41 -0.21 0.00 0.00 178.00 179.39 3hkt n GLY 155 N -0.65 -1.27 0.12 -0.55 0.00 -1.26 -2.26 105.19 99.32 3hkt n GLY 155 Ca -0.02 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.09 3hkt n GLY 155 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hkt h LEU 156 N 0.00 0.00 -1.19 0.99 5.85 -1.54 -3.42 115.31 116.00 3hkt h LEU 156 Ca 0.00 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3hkt h LEU 156 Cb 0.40 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 3hkt h LEU 156 CO 0.00 0.00 0.23 -0.61 -0.34 0.00 0.00 178.44 177.72 3hkt h GLN 157 N 0.00 0.79 -0.70 1.25 5.75 -1.43 -1.48 115.11 119.30 3hkt h GLN 157 Ca 0.00 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.37 3hkt h GLN 157 Cb 1.00 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 29.37 3hkt h GLN 157 CO 0.00 0.64 0.38 0.87 -2.65 0.00 0.00 178.83 178.07 3hkt h LYS 158 N 0.79 0.97 -0.46 1.69 1.57 -1.82 0.90 116.57 120.20 3hkt h LYS 158 Ca 0.19 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3hkt h LYS 158 Cb 0.14 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3hkt h LYS 158 CO -0.02 0.72 0.17 0.28 -0.57 0.00 0.00 179.45 180.02 3hkt h VAL 159 N 0.98 1.21 -0.47 0.50 2.07 -1.61 -2.98 116.25 115.95 3hkt h VAL 159 Ca 0.25 -0.69 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 3hkt h VAL 159 Cb 0.03 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3hkt h VAL 159 CO -0.04 0.25 -0.03 0.58 0.02 0.00 0.00 177.57 178.35 3hkt h VAL 160 N 0.61 1.25 -0.07 2.57 2.07 -0.47 -2.98 116.25 119.22 3hkt h VAL 160 Ca 0.15 -1.06 -0.11 0.00 0.82 0.00 0.00 66.70 66.51 3hkt h VAL 160 Cb 0.23 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3hkt h VAL 160 CO -0.01 0.37 -0.43 0.44 0.02 0.00 0.00 177.57 177.96 3hkt h ASP 161 N 0.74 0.17 1.54 0.57 3.32 -0.88 -3.19 116.42 118.68 3hkt h ASP 161 Ca 0.14 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3hkt h ASP 161 Cb 0.50 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3hkt h ASP 161 CO 0.03 0.59 0.00 1.62 -1.72 0.00 0.00 179.24 179.76 3hkt h VAL 162 N 0.14 0.00 -0.30 -1.35 3.04 -1.36 -3.38 116.25 113.04 3hkt h VAL 162 Ca 0.01 -0.60 -0.02 0.00 -1.01 0.00 0.00 66.70 65.08 3hkt h VAL 162 Cb 0.83 1.57 -0.02 0.00 -2.01 0.00 0.00 31.29 31.66 3hkt h VAL 162 CO 0.06 0.00 0.09 -0.07 -1.01 0.00 0.00 177.57 176.64 3hkt h LEU 163 N 0.00 0.38 -1.90 3.16 3.38 -1.59 -2.12 115.31 116.63 3hkt h LEU 163 Ca 0.00 -0.04 0.21 0.00 0.09 0.00 0.00 57.88 58.14 3hkt h LEU 163 Cb 0.77 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 3hkt h LEU 163 CO 0.00 0.38 0.64 0.44 0.09 0.00 0.00 178.44 179.99 3hkt h ASP 164 N 0.42 0.00 0.19 -0.43 3.32 -1.81 -2.05 116.42 116.06 3hkt h ASP 164 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3hkt h ASP 164 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3hkt h ASP 164 CO -0.01 0.00 -0.40 -1.54 -1.72 0.00 0.00 179.24 175.58 3hkt n SER 165 N -3.91 1.20 -2.15 6.45 3.41 -0.79 -3.99 113.62 113.83 3hkt n SER 165 Ca 0.15 -0.97 -0.10 0.00 -0.26 0.00 0.00 58.87 57.70 3hkt n SER 165 Cb 0.91 0.30 0.05 0.00 -0.26 0.00 0.00 64.21 65.20 3hkt n SER 165 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3hkt n ILE 166 N -0.67 1.81 -0.18 -1.33 -5.35 -0.78 -4.66 119.36 108.20 3hkt n ILE 166 Ca 0.10 -3.36 -0.01 0.00 -0.27 0.00 0.00 62.75 59.21 3hkt n ILE 166 Cb 0.37 0.06 0.09 0.00 -1.74 0.00 0.00 39.64 38.42 3hkt n ILE 166 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3hkt h LYS 167 N 2.13 0.30 -6.27 6.28 3.64 -1.67 -3.42 116.57 117.56 3hkt h LYS 167 Ca 0.09 -0.02 -0.57 0.00 -1.27 0.00 0.00 60.65 58.88 3hkt h LYS 167 Cb 1.42 -0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 33.07 3hkt h LYS 167 CO 0.41 0.20 -0.63 0.95 -2.27 0.00 0.00 179.45 178.11 3hkt s THR 168 N -6.11 3.77 0.09 1.00 -4.23 -1.26 -1.27 115.64 107.62 3hkt s THR 168 Ca -0.13 -1.57 -0.36 0.00 -1.18 0.00 0.00 61.69 58.44 3hkt s THR 168 Cb 0.16 -2.96 -0.17 0.00 1.34 0.00 0.00 72.50 70.88 3hkt s THR 168 CO 0.74 -0.24 1.24 1.17 -0.54 0.00 0.00 174.62 176.99 3hkt n LYS 169 N -0.55 0.92 0.00 3.99 4.81 -0.42 -1.60 118.16 125.31 3hkt n LYS 169 Ca -0.08 0.33 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 3hkt n LYS 169 Cb 0.57 -1.90 0.00 0.00 0.02 0.00 0.00 35.03 33.71 3hkt n LYS 169 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hkt n GLY 170 N 2.22 1.80 3.83 3.14 0.00 0.89 -4.43 105.19 112.65 3hkt n GLY 170 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3hkt n GLY 170 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hkt s LYS 171 N -0.68 4.13 0.06 1.61 -0.14 -0.63 -4.89 119.74 119.20 3hkt s LYS 171 Ca 0.00 0.95 -0.13 0.00 -1.36 0.00 0.00 55.97 55.43 3hkt s LYS 171 Cb 0.00 -2.26 0.02 0.00 -1.68 0.00 0.00 37.83 33.91 3hkt s LYS 171 CO 0.00 0.01 0.30 -1.54 -0.76 0.00 0.00 175.35 173.36 3hkt s SER 172 N -2.28 -0.11 0.17 2.83 1.04 -1.26 -0.92 113.70 113.17 3hkt s SER 172 Ca 0.59 -0.25 0.05 0.00 0.48 0.00 0.00 55.95 56.82 3hkt s SER 172 Cb -0.09 0.37 -0.05 0.00 0.10 0.00 0.00 66.02 66.35 3hkt s SER 172 CO 0.16 -0.65 -0.11 0.00 0.98 0.00 0.00 173.24 173.62 3hkt s ALA 173 N -2.80 1.62 0.37 5.32 0.00 -0.24 -4.93 121.76 121.11 3hkt s ALA 173 Ca -0.03 -1.55 -0.27 0.00 0.00 0.00 0.00 51.96 50.11 3hkt s ALA 173 Cb -0.00 0.03 -0.09 0.00 0.00 0.00 0.00 23.12 23.06 3hkt s ALA 173 CO -0.05 -0.06 1.26 -0.51 0.00 0.00 0.00 175.76 176.40 3hkt s ASP 174 N -3.22 6.60 -0.41 0.00 1.01 -1.26 -1.44 116.67 117.96 3hkt s ASP 174 Ca 0.19 2.58 0.10 0.00 0.71 0.00 0.00 52.55 56.12 3hkt s ASP 174 Cb 0.02 -2.64 0.35 0.00 1.01 0.00 0.00 42.92 41.66 3hkt s ASP 174 CO 0.03 -0.64 1.00 0.33 0.21 0.00 0.00 175.17 176.10 3hkt n PHE 175 N 0.46 -1.42 -2.56 4.23 7.35 0.02 -4.72 117.46 120.81 3hkt n PHE 175 Ca 0.02 -2.73 -0.29 0.00 -0.76 0.00 0.00 57.45 53.69 3hkt n PHE 175 Cb 0.44 0.75 -0.01 0.00 0.35 0.00 0.00 39.48 41.01 3hkt n PHE 175 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3hkt s THR 176 N -0.97 4.82 -1.55 -2.13 -4.23 -1.24 -3.31 115.64 107.04 3hkt s THR 176 Ca 0.29 0.48 -0.03 0.00 -1.18 0.00 0.00 61.69 61.24 3hkt s THR 176 Cb 0.34 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 70.36 3hkt s THR 176 CO -0.06 -0.80 0.41 0.59 -0.54 0.00 0.00 174.62 174.23 3hkt n ASN 177 N -2.03 -5.86 -4.79 3.99 4.13 -1.25 -4.97 115.26 104.47 3hkt n ASN 177 Ca 0.02 -0.20 -0.37 0.00 1.68 0.00 0.00 54.58 55.71 3hkt n ASN 177 Cb 0.55 -4.74 -0.06 0.00 -1.54 0.00 0.00 39.78 33.98 3hkt n ASN 177 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3hkt s PHE 178 N -3.11 3.60 -0.34 3.10 5.36 -1.26 -5.03 117.98 120.30 3hkt s PHE 178 Ca 0.20 0.80 -0.07 0.00 -0.96 0.00 0.00 56.93 56.90 3hkt s PHE 178 Cb -0.09 -2.29 0.04 0.00 -0.34 0.00 0.00 43.02 40.33 3hkt s PHE 178 CO 0.25 0.47 0.12 0.34 -1.46 0.00 0.00 175.22 174.94 3hkt s ASP 179 N -0.37 5.36 0.00 6.13 2.15 -1.26 -4.47 116.67 124.22 3hkt s ASP 179 Ca 0.21 -1.09 0.21 0.00 0.43 0.00 0.00 52.55 52.30 3hkt s ASP 179 Cb -0.15 -1.89 0.99 0.00 -0.30 0.00 0.00 42.92 41.57 3hkt s ASP 179 CO 0.09 -0.33 1.67 -0.81 -0.17 0.00 0.00 175.17 175.62 3hkt n PRO 180 N 4.84 0.18 0.22 4.34 -0.04 -1.26 -2.58 135.00 140.70 3hkt n PRO 180 Ca -0.12 0.11 0.16 0.00 -0.04 0.00 0.00 63.50 63.60 3hkt n PRO 180 Cb 0.45 -1.50 0.69 0.00 -0.04 0.00 0.00 33.50 33.10 3hkt n PRO 180 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hkt h ARG 181 N 0.00 0.00 0.00 0.54 3.08 -1.94 -1.59 114.38 114.47 3hkt h ARG 181 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hkt h ARG 181 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3hkt h ARG 181 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3hkt n GLY 182 N -0.28 -1.02 0.45 0.04 0.00 -1.06 -3.09 105.19 100.22 3hkt n GLY 182 Ca 0.00 -0.16 0.07 0.00 0.00 0.00 0.00 46.02 45.93 3hkt n GLY 182 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hkt n LEU 183 N -1.11 1.87 -4.82 0.99 4.77 -0.60 -4.18 117.00 113.92 3hkt n LEU 183 Ca 0.18 -0.92 -0.34 0.00 -0.03 0.00 0.00 56.01 54.90 3hkt n LEU 183 Cb 0.15 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.17 3hkt n LEU 183 CO 0.18 0.35 0.55 -0.76 -1.33 0.00 0.00 177.39 176.38 3hkt s LEU 184 N -1.34 4.11 0.83 2.23 1.43 -1.18 -4.91 118.68 119.84 3hkt s LEU 184 Ca 0.14 1.56 -0.11 0.00 -1.03 0.00 0.00 54.13 54.69 3hkt s LEU 184 Cb 0.11 -4.17 0.12 0.00 0.03 0.00 0.00 46.19 42.28 3hkt s LEU 184 CO 0.22 -0.20 1.17 -2.16 0.23 0.00 0.00 176.35 175.60 3hkt s PRO 185 N -2.74 1.54 0.21 1.29 0.04 -1.26 -5.01 135.00 129.07 3hkt s PRO 185 Ca 0.55 -0.29 -0.10 0.00 0.04 0.00 0.00 61.00 61.20 3hkt s PRO 185 Cb -0.12 -2.01 0.17 0.00 0.04 0.00 0.00 34.50 32.58 3hkt s PRO 185 CO 0.17 -1.77 1.86 0.93 0.04 0.00 0.00 177.00 178.23 3hkt h GLU 186 N -1.09 0.89 -6.12 4.56 5.08 -1.94 -3.44 114.58 112.53 3hkt h GLU 186 Ca -0.44 -0.05 -0.59 0.00 -1.00 0.00 0.00 59.36 57.27 3hkt h GLU 186 Cb 1.29 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 30.29 3hkt h GLU 186 CO 0.52 0.59 -0.12 0.45 -1.00 0.00 0.00 179.01 179.45 3hkt s SER 187 N -5.80 6.94 0.00 1.42 0.15 -1.26 -4.99 113.70 110.16 3hkt s SER 187 Ca -0.13 1.11 0.21 0.00 0.70 0.00 0.00 55.95 57.84 3hkt s SER 187 Cb 0.15 -2.30 0.58 0.00 -1.71 0.00 0.00 66.02 62.74 3hkt s SER 187 CO 0.77 0.30 1.49 0.18 1.20 0.00 0.00 173.24 177.18 3hkt n LEU 188 N 1.79 3.77 -4.69 3.45 4.77 -1.26 -4.75 117.00 120.07 3hkt n LEU 188 Ca -0.12 -1.98 -0.42 0.00 -0.03 0.00 0.00 56.01 53.45 3hkt n LEU 188 Cb 0.52 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 3hkt n LEU 188 CO 0.39 0.94 0.89 0.47 -1.33 0.00 0.00 177.39 178.75 3hkt n ASP 189 N 1.46 2.70 -3.67 -1.43 8.00 -1.26 -4.83 116.55 117.51 3hkt n ASP 189 Ca 0.22 1.20 -0.10 0.00 0.71 0.00 0.00 54.79 56.82 3hkt n ASP 189 Cb 0.59 -1.48 -0.04 0.00 -0.02 0.00 0.00 41.12 40.17 3hkt n ASP 189 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3hkt s TYR 190 N -1.10 -0.16 0.10 1.24 -0.85 -1.26 -1.34 117.35 113.98 3hkt s TYR 190 Ca 0.56 -0.17 0.04 0.00 -0.52 0.00 0.00 57.07 56.98 3hkt s TYR 190 Cb -0.57 0.27 -0.04 0.00 0.38 0.00 0.00 41.96 42.00 3hkt s TYR 190 CO 0.62 -0.75 0.07 -1.58 -1.52 0.00 0.00 175.55 172.39 3hkt s TRP 191 N -3.83 3.12 -0.01 -3.49 0.51 -0.25 -0.82 118.94 114.17 3hkt s TRP 191 Ca 0.05 0.02 -0.01 0.00 -2.12 0.00 0.00 56.10 54.04 3hkt s TRP 191 Cb 0.01 -1.57 0.01 0.00 -0.81 0.00 0.00 33.47 31.12 3hkt s TRP 191 CO -0.10 0.51 0.03 -0.08 -0.51 0.00 0.00 176.95 176.81 3hkt s THR 192 N -1.46 -0.01 0.09 2.01 -1.32 0.34 -1.21 115.64 114.09 3hkt s THR 192 Ca 0.29 0.05 -0.14 0.00 -1.21 0.00 0.00 61.69 60.68 3hkt s THR 192 Cb -0.11 -0.06 0.02 0.00 -1.51 0.00 0.00 72.50 70.84 3hkt s THR 192 CO 0.21 0.02 0.33 -0.72 -2.21 0.00 0.00 174.62 172.25 3hkt s TYR 193 N 0.26 -0.10 0.01 9.09 1.13 -1.16 -1.17 117.35 125.41 3hkt s TYR 193 Ca -0.02 -0.19 -0.26 0.00 -1.41 0.00 0.00 57.07 55.19 3hkt s TYR 193 Cb -0.03 0.15 -0.04 0.00 -1.10 0.00 0.00 41.96 40.93 3hkt s TYR 193 CO -0.01 -0.62 0.81 -1.25 -2.51 0.00 0.00 175.55 171.97 3hkt s PRO 194 N -3.49 4.51 0.00 -3.49 0.04 -1.26 -1.93 135.00 129.38 3hkt s PRO 194 Ca 0.01 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.17 3hkt s PRO 194 Cb 0.02 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.15 3hkt s PRO 194 CO -0.09 0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.49 3hkt n GLY 195 N 2.71 4.42 3.33 0.56 0.00 0.18 -4.81 105.19 111.57 3hkt n GLY 195 Ca 0.00 -0.80 -0.17 0.00 0.00 0.00 0.00 46.02 45.05 3hkt n GLY 195 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hkt s SER 196 N 1.50 1.28 0.54 1.61 1.04 -1.03 -2.04 113.70 116.60 3hkt s SER 196 Ca 0.00 -1.39 -0.21 0.00 0.48 0.00 0.00 55.95 54.83 3hkt s SER 196 Cb 0.00 0.15 -0.06 0.00 0.10 0.00 0.00 66.02 66.20 3hkt s SER 196 CO 0.00 -0.72 1.07 0.18 0.98 0.00 0.00 173.24 174.75 3hkt n LEU 197 N -0.48 3.83 -1.07 2.42 4.77 -0.50 -4.45 117.00 121.51 3hkt n LEU 197 Ca -0.00 0.91 0.11 0.00 -0.03 0.00 0.00 56.01 57.00 3hkt n LEU 197 Cb 0.66 -1.43 0.19 0.00 -2.33 0.00 0.00 43.42 40.52 3hkt n LEU 197 CO 0.38 -1.44 0.68 0.35 -1.33 0.00 0.00 177.39 176.02 3hkt n THR 198 N -1.21 0.45 -4.36 -5.08 -2.24 -1.26 -4.49 114.28 96.09 3hkt n THR 198 Ca 0.12 -0.72 -0.27 0.00 -2.27 0.00 0.00 64.05 60.90 3hkt n THR 198 Cb 0.44 1.04 -0.13 0.00 -2.10 0.00 0.00 70.33 69.58 3hkt n THR 198 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3hkt s THR 199 N -1.48 2.07 0.43 4.28 -4.23 -1.26 -4.63 115.64 110.81 3hkt s THR 199 Ca 0.35 -1.72 -0.24 0.00 -1.18 0.00 0.00 61.69 58.90 3hkt s THR 199 Cb 0.21 -1.86 -0.10 0.00 1.34 0.00 0.00 72.50 72.10 3hkt s THR 199 CO 0.30 0.00 1.09 -2.65 -0.54 0.00 0.00 174.62 172.82 3hkt n PRO 200 N 0.88 1.49 0.00 3.99 -0.02 -1.26 -0.29 135.00 139.78 3hkt n PRO 200 Ca -0.18 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 3hkt n PRO 200 Cb 0.54 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 3hkt n PRO 200 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3hkt n PRO 201 N 0.02 0.97 -2.23 0.52 -0.04 -1.26 -5.02 135.00 127.97 3hkt n PRO 201 Ca 0.09 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.39 3hkt n PRO 201 Cb 0.40 -1.05 -0.02 0.00 -0.04 0.00 0.00 33.50 32.78 3hkt n PRO 201 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3hkt n LEU 202 N -0.44 -1.43 -4.69 1.53 4.77 0.60 -4.91 117.00 112.43 3hkt n LEU 202 Ca 0.00 0.16 -0.44 0.00 -0.03 0.00 0.00 56.01 55.70 3hkt n LEU 202 Cb 0.03 -2.47 -0.03 0.00 -2.33 0.00 0.00 43.42 38.62 3hkt n LEU 202 CO 0.00 -0.31 1.16 0.18 -1.33 0.00 0.00 177.39 177.09 3hkt n LEU 203 N -2.73 3.41 -4.14 2.23 4.77 -1.26 -4.38 117.00 114.90 3hkt n LEU 203 Ca -0.19 1.11 -0.43 0.00 -0.03 0.00 0.00 56.01 56.47 3hkt n LEU 203 Cb 0.62 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.24 3hkt n LEU 203 CO 0.23 -0.23 1.61 -0.62 -1.33 0.00 0.00 177.39 177.04 3hkt n GLU 204 N 2.80 3.59 -0.01 3.23 1.02 -1.26 -1.40 120.64 128.59 3hkt n GLU 204 Ca 0.14 -3.79 0.00 0.00 -0.02 0.00 0.00 57.16 53.49 3hkt n GLU 204 Cb 0.32 -2.92 0.00 0.00 -0.02 0.00 0.00 31.44 28.82 3hkt n GLU 204 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hkt s VAL 206 N -0.38 3.79 -0.31 0.00 1.01 -0.87 -0.63 120.40 123.01 3hkt s VAL 206 Ca 0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 61.98 61.45 3hkt s VAL 206 Cb 0.00 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 3hkt s VAL 206 CO 0.00 0.52 0.28 -0.89 0.00 0.00 0.00 175.10 175.01 3hkt s THR 207 N 0.14 5.24 -0.04 3.92 2.01 0.07 0.49 115.64 127.47 3hkt s THR 207 Ca -0.02 0.09 -0.16 0.00 0.31 0.00 0.00 61.69 61.91 3hkt s THR 207 Cb -0.14 -3.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 3hkt s THR 207 CO 0.03 0.07 0.44 0.26 -0.69 0.00 0.00 174.62 174.73 3hkt s TRP 208 N 1.87 3.65 -0.26 4.92 0.52 -0.81 -1.77 118.94 127.05 3hkt s TRP 208 Ca 0.09 0.96 -0.00 0.00 0.02 0.00 0.00 56.10 57.17 3hkt s TRP 208 Cb -0.16 -2.40 0.07 0.00 -1.15 0.00 0.00 33.47 29.83 3hkt s TRP 208 CO 0.11 0.45 0.02 0.42 0.02 0.00 0.00 176.95 177.96 3hkt s ILE 209 N -0.39 1.23 -0.26 2.03 1.01 -0.68 -2.98 121.20 121.16 3hkt s ILE 209 Ca 0.25 -1.26 -0.06 0.00 0.00 0.00 0.00 60.65 59.58 3hkt s ILE 209 Cb -0.16 -1.70 -0.01 0.00 0.01 0.00 0.00 42.46 40.60 3hkt s ILE 209 CO 0.12 -0.33 0.04 -0.69 0.00 0.00 0.00 174.94 174.09 3hkt s VAL 210 N 1.49 3.92 0.16 2.92 1.01 -0.35 -0.10 120.40 129.45 3hkt s VAL 210 Ca 0.01 -0.46 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 3hkt s VAL 210 Cb -0.18 -2.89 -0.07 0.00 0.00 0.00 0.00 36.38 33.23 3hkt s VAL 210 CO -0.12 0.26 1.18 -0.76 0.00 0.00 0.00 175.10 175.67 3hkt s LEU 211 N 1.53 4.44 0.19 3.92 1.43 0.02 -1.09 118.68 129.13 3hkt s LEU 211 Ca 0.05 2.16 -0.11 0.00 -1.03 0.00 0.00 54.13 55.20 3hkt s LEU 211 Cb -0.16 -3.60 0.21 0.00 0.03 0.00 0.00 46.19 42.68 3hkt s LEU 211 CO 0.01 -0.37 1.75 0.50 0.23 0.00 0.00 176.35 178.47 3hkt h LYS 212 N 5.57 0.38 -5.64 1.70 3.64 -1.55 -3.42 116.57 117.25 3hkt h LYS 212 Ca -0.44 -0.02 -0.60 0.00 -1.27 0.00 0.00 60.65 58.32 3hkt h LYS 212 Cb 1.21 -0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 32.85 3hkt h LYS 212 CO 0.76 0.25 0.20 -2.00 -2.27 0.00 0.00 179.45 176.39 3hkt s GLU 213 N -6.11 4.17 0.60 1.90 2.12 -1.26 -5.01 118.70 115.11 3hkt s GLU 213 Ca -0.13 0.66 -0.15 0.00 0.36 0.00 0.00 54.97 55.72 3hkt s GLU 213 Cb 0.16 -3.61 -0.03 0.00 0.26 0.00 0.00 34.13 30.90 3hkt s GLU 213 CO 0.74 -0.35 1.05 -1.25 -0.54 0.00 0.00 175.26 174.90 3hkt s PRO 214 N 2.29 3.34 0.32 4.30 0.04 -1.26 -4.66 135.00 139.36 3hkt s PRO 214 Ca 0.29 1.10 -0.11 0.00 0.04 0.00 0.00 61.00 62.33 3hkt s PRO 214 Cb -0.16 -2.04 -0.07 0.00 0.04 0.00 0.00 34.50 32.27 3hkt s PRO 214 CO 0.09 -0.78 0.67 0.96 0.04 0.00 0.00 177.00 177.98 3hkt s ILE 215 N -2.63 4.83 -0.14 0.56 -4.36 -0.17 -4.89 121.20 114.40 3hkt s ILE 215 Ca 0.61 0.58 -0.08 0.00 -0.26 0.00 0.00 60.65 61.50 3hkt s ILE 215 Cb -0.14 -3.67 -0.04 0.00 1.25 0.00 0.00 42.46 39.85 3hkt s ILE 215 CO 0.40 -0.29 0.13 -0.44 0.24 0.00 0.00 174.94 174.99 3hkt s SER 216 N -2.73 6.28 0.16 4.36 0.01 -1.26 -1.34 113.70 119.19 3hkt s SER 216 Ca 0.50 0.38 0.08 0.00 1.31 0.00 0.00 55.95 58.22 3hkt s SER 216 Cb -0.11 -2.06 -0.04 0.00 0.21 0.00 0.00 66.02 64.03 3hkt s SER 216 CO 0.25 0.33 -0.18 0.68 0.41 0.00 0.00 173.24 174.74 3hkt s VAL 217 N -0.58 1.76 0.78 3.43 -7.23 -0.00 -3.39 120.40 115.18 3hkt s VAL 217 Ca 0.13 -1.90 -0.11 0.00 -1.81 0.00 0.00 61.98 58.28 3hkt s VAL 217 Cb -0.12 -1.81 0.06 0.00 0.56 0.00 0.00 36.38 35.07 3hkt s VAL 217 CO 0.02 -0.33 1.08 -0.94 -0.31 0.00 0.00 175.10 174.62 3hkt s SER 218 N -2.66 4.59 0.33 4.85 1.04 -1.15 -0.46 113.70 120.24 3hkt s SER 218 Ca 0.15 1.51 0.02 0.00 0.48 0.00 0.00 55.95 58.11 3hkt s SER 218 Cb -0.05 -2.27 0.56 0.00 0.10 0.00 0.00 66.02 64.35 3hkt s SER 218 CO 0.06 -1.94 1.92 0.77 0.98 0.00 0.00 173.24 175.03 3hkt h SER 219 N -1.06 0.67 -0.07 7.02 4.64 -1.92 -2.96 113.55 119.87 3hkt h SER 219 Ca -0.46 -0.08 -0.10 0.00 -0.47 0.00 0.00 61.79 60.69 3hkt h SER 219 Cb 1.25 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 3hkt h SER 219 CO 0.56 0.60 -0.25 -0.33 -0.87 0.00 0.00 176.83 176.55 3hkt h GLU 220 N 0.74 0.50 0.20 4.77 3.07 -1.95 -1.90 114.58 120.01 3hkt h GLU 220 Ca 0.18 -0.19 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 3hkt h GLU 220 Cb 0.14 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 3hkt h GLU 220 CO -0.02 0.71 -0.10 1.96 -1.40 0.00 0.00 179.01 180.17 3hkt h GLN 221 N 0.44 -0.26 -0.57 2.33 4.20 -1.90 -3.03 115.11 116.34 3hkt h GLN 221 Ca 0.06 0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.70 3hkt h GLN 221 Cb 0.67 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.49 3hkt h GLN 221 CO 0.05 -0.15 -0.01 -0.39 -0.67 0.00 0.00 178.83 177.66 3hkt h VAL 222 N -0.29 1.26 -0.96 -0.54 -1.51 -1.46 -2.98 116.25 109.76 3hkt h VAL 222 Ca -0.03 -1.13 0.23 0.00 -1.23 0.00 0.00 66.70 64.54 3hkt h VAL 222 Cb 0.22 0.84 -0.08 0.00 -2.13 0.00 0.00 31.29 30.14 3hkt h VAL 222 CO 0.04 0.41 0.63 -0.07 -1.23 0.00 0.00 177.57 177.35 3hkt h LEU 223 N 0.91 0.43 -0.53 4.19 3.38 -1.42 -1.59 115.31 120.68 3hkt h LEU 223 Ca 0.16 0.06 -0.16 0.00 0.09 0.00 0.00 57.88 58.03 3hkt h LEU 223 Cb 0.54 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3hkt h LEU 223 CO 0.03 0.14 -0.62 0.11 0.09 0.00 0.00 178.44 178.19 3hkt h LYS 224 N 0.41 0.39 -0.60 1.13 1.57 -1.39 -2.86 116.57 115.23 3hkt h LYS 224 Ca 0.52 -0.28 0.09 0.00 -1.87 0.00 0.00 60.65 59.12 3hkt h LYS 224 Cb 1.30 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 33.58 3hkt h LYS 224 CO -0.22 0.89 0.22 0.74 -0.57 0.00 0.00 179.45 180.51 3hkt h PHE 225 N 0.29 0.39 0.00 -1.35 -1.00 -1.33 -2.79 116.94 111.15 3hkt h PHE 225 Ca -0.01 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.80 3hkt h PHE 225 Cb 1.16 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.64 3hkt h PHE 225 CO 0.04 0.10 0.00 0.54 -1.61 0.00 0.00 178.31 177.38 3hkt n ARG 226 N -5.00 0.18 0.06 1.51 1.74 -0.81 -2.24 116.66 112.10 3hkt n ARG 226 Ca 0.08 0.13 0.12 0.00 -0.77 0.00 0.00 57.85 57.41 3hkt n ARG 226 Cb 0.27 -1.50 0.20 0.00 -1.02 0.00 0.00 32.46 30.40 3hkt n ARG 226 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3hkt n LYS 227 N -1.36 0.27 -0.74 5.56 5.02 -1.05 -4.52 118.16 121.35 3hkt n LYS 227 Ca 0.08 0.09 -0.30 0.00 -2.02 0.00 0.00 58.31 56.16 3hkt n LYS 227 Cb 0.18 -1.68 0.20 0.00 -0.02 0.00 0.00 35.03 33.70 3hkt n LYS 227 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hkt s LEU 228 N -4.16 1.83 -0.09 -0.35 1.43 -0.95 -4.87 118.68 111.51 3hkt s LEU 228 Ca 0.07 1.75 0.03 0.00 -1.03 0.00 0.00 54.13 54.95 3hkt s LEU 228 Cb 0.14 -3.93 0.01 0.00 0.03 0.00 0.00 46.19 42.44 3hkt s LEU 228 CO 0.71 -3.50 -0.19 0.20 0.23 0.00 0.00 176.35 173.80 3hkt s ASN 229 N -2.76 2.58 0.20 2.29 0.02 -0.40 -0.18 114.94 116.70 3hkt s ASN 229 Ca 0.67 -0.46 -0.09 0.00 -1.02 0.00 0.00 52.86 51.96 3hkt s ASN 229 Cb -0.23 -1.18 0.13 0.00 0.02 0.00 0.00 41.25 40.00 3hkt s ASN 229 CO 0.61 0.09 1.76 -0.26 0.02 0.00 0.00 177.10 179.31 3hkt h PHE 230 N 6.97 1.15 -4.33 2.20 0.04 -1.63 -3.35 116.94 117.99 3hkt h PHE 230 Ca -0.26 -0.09 -0.49 0.00 2.80 0.00 0.00 57.97 59.92 3hkt h PHE 230 Cb 1.21 -0.34 0.10 0.00 2.20 0.00 0.00 35.95 39.12 3hkt h PHE 230 CO 0.48 0.88 0.36 0.54 -0.60 0.00 0.00 178.31 179.97 3hkt s ASN 231 N -6.31 4.85 0.63 2.17 4.22 -1.26 -4.43 114.94 114.82 3hkt s ASN 231 Ca -0.12 1.32 -0.07 0.00 -2.14 0.00 0.00 52.86 51.85 3hkt s ASN 231 Cb 0.15 -2.10 0.02 0.00 1.28 0.00 0.00 41.25 40.60 3hkt s ASN 231 CO 0.83 -1.74 0.96 -0.83 -2.04 0.00 0.00 177.10 174.27 3hkt s GLY 232 N -3.98 1.62 0.16 0.45 0.00 -1.26 -1.30 107.32 103.02 3hkt s GLY 232 Ca 0.60 -0.68 -0.33 0.00 0.00 0.00 0.00 44.72 44.30 3hkt s GLY 232 CO 0.54 -0.36 1.29 -2.21 0.00 0.00 0.00 173.10 172.36 3hkt n GLU 233 N -2.72 1.41 -0.91 2.90 2.13 -1.26 -1.98 120.64 120.20 3hkt n GLU 233 Ca 0.06 0.50 0.00 0.00 0.66 0.00 0.00 57.16 58.38 3hkt n GLU 233 Cb 0.58 -2.09 0.00 0.00 0.27 0.00 0.00 31.44 30.20 3hkt n GLU 233 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hkt n GLY 234 N 2.29 0.62 3.94 8.31 0.00 -1.26 -5.04 105.19 114.05 3hkt n GLY 234 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 3hkt n GLY 234 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hkt s GLU 235 N -0.35 2.88 0.24 1.61 2.02 -0.84 -5.05 118.70 119.21 3hkt s GLU 235 Ca 0.00 -0.37 -0.31 0.00 0.02 0.00 0.00 54.97 54.31 3hkt s GLU 235 Cb 0.00 -2.43 -0.13 0.00 0.10 0.00 0.00 34.13 31.67 3hkt s GLU 235 CO 0.00 -0.54 1.50 -2.30 0.02 0.00 0.00 175.26 173.94 3hkt n PRO 236 N -2.33 2.28 -2.24 0.39 -0.02 -1.26 -4.91 135.00 126.91 3hkt n PRO 236 Ca 0.04 0.81 -0.43 0.00 -2.02 0.00 0.00 63.50 61.91 3hkt n PRO 236 Cb 0.58 -2.53 -0.02 0.00 -0.02 0.00 0.00 33.50 31.50 3hkt n PRO 236 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3hkt s GLU 237 N -0.18 3.89 -0.25 -0.52 2.12 -1.26 -4.74 118.70 117.76 3hkt s GLU 237 Ca 0.69 1.55 -0.03 0.00 0.36 0.00 0.00 54.97 57.54 3hkt s GLU 237 Cb -0.60 -3.96 0.02 0.00 0.26 0.00 0.00 34.13 29.85 3hkt s GLU 237 CO 0.47 -1.17 -0.04 -1.21 -0.54 0.00 0.00 175.26 172.77 3hkt s GLU 238 N 4.38 2.94 0.18 4.30 2.02 -1.26 -5.06 118.70 126.19 3hkt s GLU 238 Ca 0.65 -0.92 -0.31 0.00 0.02 0.00 0.00 54.97 54.41 3hkt s GLU 238 Cb -0.22 -3.04 -0.10 0.00 0.10 0.00 0.00 34.13 30.87 3hkt s GLU 238 CO 0.26 -0.38 1.51 -0.51 0.02 0.00 0.00 175.26 176.16 3hkt s LEU 239 N 1.37 4.37 -0.81 1.80 1.43 -1.26 -1.84 118.68 123.75 3hkt s LEU 239 Ca 0.01 2.58 -0.25 0.00 -1.03 0.00 0.00 54.13 55.44 3hkt s LEU 239 Cb -0.16 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.42 3hkt s LEU 239 CO -0.03 -0.77 1.93 -0.32 0.23 0.00 0.00 176.35 177.39 3hkt s MET 240 N 0.77 2.56 0.03 1.70 -2.45 0.75 -4.64 119.30 118.03 3hkt s MET 240 Ca 0.67 0.01 -0.08 0.00 -1.25 0.00 0.00 55.69 55.04 3hkt s MET 240 Cb -0.42 -4.84 -0.00 0.00 1.25 0.00 0.00 34.83 30.81 3hkt s MET 240 CO 0.34 -3.18 0.15 0.14 1.05 0.00 0.00 175.02 173.51 3hkt s VAL 241 N 9.83 0.11 -1.46 10.11 -7.23 -1.26 -4.44 120.40 126.06 3hkt s VAL 241 Ca 0.70 -0.92 -0.10 0.00 -1.81 0.00 0.00 61.98 59.85 3hkt s VAL 241 Cb -0.09 -0.81 0.06 0.00 0.56 0.00 0.00 36.38 36.10 3hkt s VAL 241 CO 0.06 -0.51 0.93 0.47 -0.31 0.00 0.00 175.10 175.75 3hkt n ASP 242 N 0.88 -3.98 -3.12 4.85 8.00 -0.43 -4.87 116.55 117.87 3hkt n ASP 242 Ca -0.20 -0.77 -0.35 0.00 0.71 0.00 0.00 54.79 54.18 3hkt n ASP 242 Cb 0.58 -4.05 -0.02 0.00 -0.02 0.00 0.00 41.12 37.61 3hkt n ASP 242 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3hkt n ASN 243 N -2.91 7.48 -4.06 -2.24 6.94 -1.15 -4.91 115.26 114.41 3hkt n ASN 243 Ca -0.05 -3.16 -0.20 0.00 -0.02 0.00 0.00 54.58 51.15 3hkt n ASN 243 Cb 0.57 -1.32 -0.15 0.00 -2.36 0.00 0.00 39.78 36.52 3hkt n ASN 243 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 3hkt s TRP 244 N -1.32 1.02 0.10 -2.53 1.48 -1.26 -4.53 118.94 111.90 3hkt s TRP 244 Ca 0.56 -0.20 -0.26 0.00 -1.06 0.00 0.00 56.10 55.15 3hkt s TRP 244 Cb 0.25 -0.66 -0.07 0.00 -1.16 0.00 0.00 33.47 31.84 3hkt s TRP 244 CO -0.14 -0.02 0.80 0.50 -4.06 0.00 0.00 176.95 174.03 3hkt s ARG 245 N -0.28 4.56 0.83 3.25 3.52 -1.26 -4.99 118.95 124.58 3hkt s ARG 245 Ca 0.04 1.16 -0.11 0.00 -0.13 0.00 0.00 55.73 56.69 3hkt s ARG 245 Cb -0.04 -3.32 0.09 0.00 -1.56 0.00 0.00 34.95 30.11 3hkt s ARG 245 CO -0.00 0.39 1.09 -1.25 -0.81 0.00 0.00 175.30 174.72 3hkt s PRO 246 N -0.49 1.79 0.51 5.12 0.04 -1.26 -4.63 135.00 136.08 3hkt s PRO 246 Ca 0.39 0.73 -0.23 0.00 0.04 0.00 0.00 61.00 61.93 3hkt s PRO 246 Cb -0.22 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 3hkt s PRO 246 CO 0.25 -1.85 1.36 0.00 0.04 0.00 0.00 177.00 176.81 3hkt n ALA 247 N -3.60 1.66 -2.53 8.56 0.00 -1.26 -4.31 120.51 119.03 3hkt n ALA 247 Ca 0.07 0.17 -0.24 0.00 0.00 0.00 0.00 53.44 53.44 3hkt n ALA 247 Cb 0.56 -2.35 -0.09 0.00 0.00 0.00 0.00 19.45 17.56 3hkt n ALA 247 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3hkt s GLN 248 N -2.69 1.90 0.23 0.00 -1.52 0.34 -4.94 119.66 112.98 3hkt s GLN 248 Ca 0.68 -1.66 -0.32 0.00 -1.95 0.00 0.00 55.36 52.11 3hkt s GLN 248 Cb -0.43 -1.90 -0.12 0.00 -0.22 0.00 0.00 33.01 30.33 3hkt s GLN 248 CO 0.52 0.32 1.65 -2.30 -0.25 0.00 0.00 175.29 175.24 3hkt n PRO 249 N -0.73 2.64 -0.03 2.91 -0.02 -1.26 -4.41 135.00 134.10 3hkt n PRO 249 Ca -0.05 0.95 0.02 0.00 -2.02 0.00 0.00 63.50 62.39 3hkt n PRO 249 Cb 0.60 -2.76 0.35 0.00 -0.02 0.00 0.00 33.50 31.67 3hkt n PRO 249 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3hkt h LEU 250 N 5.96 0.53 0.00 2.45 5.85 -1.94 -3.44 115.31 124.72 3hkt h LEU 250 Ca -0.45 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3hkt h LEU 250 Cb 1.22 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3hkt h LEU 250 CO 0.89 0.46 0.00 0.29 -0.34 0.00 0.00 178.44 179.75 3hkt n LYS 251 N -4.39 0.00 -1.55 1.25 5.02 -1.26 -3.53 118.16 113.70 3hkt n LYS 251 Ca 0.03 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.01 3hkt n LYS 251 Cb 0.13 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.09 3hkt n LYS 251 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hkt n ASN 252 N 1.47 7.29 -4.07 4.39 5.03 -1.26 -4.89 115.26 123.21 3hkt n ASN 252 Ca 0.00 -2.93 -0.09 0.00 0.87 0.00 0.00 54.58 52.43 3hkt n ASN 252 Cb 0.00 -1.38 -0.10 0.00 -1.02 0.00 0.00 39.78 37.28 3hkt n ASN 252 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3hkt s ARG 253 N -0.26 0.56 -0.07 3.52 0.52 -1.23 -5.12 118.95 116.87 3hkt s ARG 253 Ca 0.61 -1.03 0.04 0.00 -0.52 0.00 0.00 55.73 54.84 3hkt s ARG 253 Cb 0.26 0.06 -0.00 0.00 0.52 0.00 0.00 34.95 35.79 3hkt s ARG 253 CO -0.11 -0.06 -0.20 -1.14 0.02 0.00 0.00 175.30 173.81 3hkt s GLN 254 N -2.99 2.35 -0.26 3.54 2.00 -1.26 -5.05 119.66 117.98 3hkt s GLN 254 Ca -0.00 -0.74 -0.13 0.00 -2.00 0.00 0.00 55.36 52.49 3hkt s GLN 254 Cb 0.01 -1.91 -0.04 0.00 0.80 0.00 0.00 33.01 31.86 3hkt s GLN 254 CO -0.06 0.22 0.28 0.42 -0.50 0.00 0.00 175.29 175.66 3hkt s ILE 255 N 0.18 5.25 -0.10 -2.34 1.01 -1.26 -4.59 121.20 119.35 3hkt s ILE 255 Ca -0.10 0.39 -0.07 0.00 0.00 0.00 0.00 60.65 60.87 3hkt s ILE 255 Cb -0.15 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 3hkt s ILE 255 CO 0.05 0.22 0.16 -0.54 0.00 0.00 0.00 174.94 174.83 3hkt s LYS 256 N 1.76 3.47 -0.11 2.79 1.02 -0.31 -2.30 119.74 126.06 3hkt s LYS 256 Ca 0.12 -0.11 -0.05 0.00 0.02 0.00 0.00 55.97 55.95 3hkt s LYS 256 Cb -0.15 -3.18 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 3hkt s LYS 256 CO 0.09 0.76 0.08 0.00 -0.92 0.00 0.00 175.35 175.37 3hkt s ALA 257 N -1.06 3.62 -1.47 5.17 0.00 -0.19 -0.50 121.76 127.33 3hkt s ALA 257 Ca 0.17 -0.71 0.24 0.00 0.00 0.00 0.00 51.96 51.65 3hkt s ALA 257 Cb -0.12 -1.77 1.21 0.00 0.00 0.00 0.00 23.12 22.43 3hkt s ALA 257 CO 0.06 0.59 1.78 -1.13 0.00 0.00 0.00 175.76 177.05 3hkt n SER 258 N 2.12 0.00 -4.03 0.00 3.41 0.00 -1.83 113.62 113.29 3hkt n SER 258 Ca -0.19 -0.10 -0.08 0.00 -0.26 0.00 0.00 58.87 58.25 3hkt n SER 258 Cb 0.54 -0.27 -0.09 0.00 -0.26 0.00 0.00 64.21 64.13 3hkt n SER 258 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3hkt s PHE 259 N -2.53 0.42 -2.45 7.33 -0.71 -1.26 -4.89 117.98 113.88 3hkt s PHE 259 Ca 0.23 -0.93 0.28 0.00 -1.04 0.00 0.00 56.93 55.48 3hkt s PHE 259 Cb 0.16 -0.30 1.13 0.00 -1.21 0.00 0.00 43.02 42.80 3hkt s PHE 259 CO 0.35 -0.42 1.79 1.63 -1.34 0.00 0.00 175.22 177.23