#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hxf n LYS 6 N 0.00 2.11 -3.89 -1.09 5.02 -1.26 -4.92 118.16 114.12 3hxf n LYS 6 Ca 0.00 0.76 -0.08 0.00 -2.02 0.00 0.00 58.31 56.97 3hxf n LYS 6 Cb 0.00 -2.65 -0.02 0.00 -0.02 0.00 0.00 35.03 32.33 3hxf n LYS 6 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3hxf s ASP 7 N 4.43 -0.19 0.36 4.39 2.15 -1.26 -4.68 116.67 121.87 3hxf s ASP 7 Ca 0.94 -0.73 0.02 0.00 0.43 0.00 0.00 52.55 53.20 3hxf s ASP 7 Cb -0.69 0.71 -0.02 0.00 -0.30 0.00 0.00 42.92 42.61 3hxf s ASP 7 CO 0.51 -1.33 0.55 0.68 -0.17 0.00 0.00 175.17 175.41 3hxf s VAL 8 N -3.80 4.71 -0.15 1.11 -7.23 -1.26 -5.01 120.40 108.78 3hxf s VAL 8 Ca 0.14 -0.60 0.01 0.00 -1.81 0.00 0.00 61.98 59.73 3hxf s VAL 8 Cb -0.05 -3.71 0.00 0.00 0.56 0.00 0.00 36.38 33.18 3hxf s VAL 8 CO 0.08 -0.43 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.38 3hxf s THR 9 N -2.32 2.51 0.05 5.32 2.01 -1.26 -4.50 115.64 117.44 3hxf s THR 9 Ca 0.42 -0.83 -0.26 0.00 0.31 0.00 0.00 61.69 61.33 3hxf s THR 9 Cb -0.10 -2.04 -0.05 0.00 0.01 0.00 0.00 72.50 70.32 3hxf s THR 9 CO 0.35 0.53 0.82 -0.63 -0.69 0.00 0.00 174.62 175.00 3hxf s ILE 10 N 0.74 4.72 0.47 1.82 1.01 -1.26 -5.03 121.20 123.68 3hxf s ILE 10 Ca -0.07 1.74 -0.21 0.00 0.00 0.00 0.00 60.65 62.11 3hxf s ILE 10 Cb -0.16 -4.17 -0.09 0.00 0.01 0.00 0.00 42.46 38.06 3hxf s ILE 10 CO 0.01 0.33 1.04 -1.59 0.00 0.00 0.00 174.94 174.73 3hxf s LYS 11 N 0.11 3.87 0.61 2.79 0.00 -1.26 -4.93 119.74 120.93 3hxf s LYS 11 Ca 0.41 1.40 0.39 0.00 0.00 0.00 0.00 55.97 58.17 3hxf s LYS 11 Cb -0.21 -2.18 1.93 0.00 0.00 0.00 0.00 37.83 37.36 3hxf s LYS 11 CO 0.24 -0.38 2.19 0.66 0.00 0.00 0.00 175.35 178.06 3hxf h SER 12 N 1.74 0.00 -0.50 0.03 4.64 -2.04 -2.06 113.55 115.37 3hxf h SER 12 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3hxf h SER 12 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3hxf h SER 12 CO 0.60 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.66 3hxf n ASP 13 N -3.08 3.61 -4.51 4.97 5.75 -1.26 -4.99 116.55 117.03 3hxf n ASP 13 Ca -0.01 -1.99 -0.42 0.00 -0.01 0.00 0.00 54.79 52.36 3hxf n ASP 13 Cb 0.18 -0.33 0.01 0.00 -1.03 0.00 0.00 41.12 39.95 3hxf n ASP 13 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hxf n ALA 14 N 1.52 -0.88 -1.61 2.12 0.00 -0.78 -4.92 120.51 115.96 3hxf n ALA 14 Ca 0.21 0.19 -0.40 0.00 0.00 0.00 0.00 53.44 53.44 3hxf n ALA 14 Cb 0.61 -1.89 0.02 0.00 0.00 0.00 0.00 19.45 18.19 3hxf n ALA 14 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3hxf n PRO 15 N 0.39 1.26 -0.36 0.00 -0.02 -1.26 -4.91 135.00 130.10 3hxf n PRO 15 Ca 0.11 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3hxf n PRO 15 Cb 0.39 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3hxf n PRO 15 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3hxf n ASP 16 N 0.20 0.00 -4.05 2.55 5.75 -1.26 -3.25 116.55 116.49 3hxf n ASP 16 Ca 0.10 -1.70 -0.08 0.00 -0.01 0.00 0.00 54.79 53.10 3hxf n ASP 16 Cb 0.41 -0.14 -0.10 0.00 -1.03 0.00 0.00 41.12 40.26 3hxf n ASP 16 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3hxf s THR 17 N 0.00 0.18 -0.11 2.12 -1.32 -1.26 -5.08 115.64 110.17 3hxf s THR 17 Ca 0.00 -1.44 -0.22 0.00 -1.21 0.00 0.00 61.69 58.82 3hxf s THR 17 Cb 0.00 -1.01 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 3hxf s THR 17 CO 0.00 -0.80 0.63 -0.22 -2.21 0.00 0.00 174.62 172.03 3hxf s LEU 18 N -2.33 4.27 -0.88 9.08 2.96 -1.26 -4.99 118.68 125.53 3hxf s LEU 18 Ca -0.02 1.03 0.01 0.00 -0.22 0.00 0.00 54.13 54.92 3hxf s LEU 18 Cb 0.01 -2.95 0.33 0.00 0.50 0.00 0.00 46.19 44.07 3hxf s LEU 18 CO -0.06 -0.12 1.53 0.18 -1.32 0.00 0.00 176.35 176.55 3hxf n LEU 19 N 4.01 6.39 -0.28 -0.68 4.77 -1.26 -4.86 117.00 125.09 3hxf n LEU 19 Ca -0.03 -5.48 -0.00 0.00 -0.03 0.00 0.00 56.01 50.47 3hxf n LEU 19 Cb 0.51 -0.97 0.12 0.00 -2.33 0.00 0.00 43.42 40.75 3hxf n LEU 19 CO 0.46 2.14 1.16 0.25 -1.33 0.00 0.00 177.39 180.06 3hxf h LEU 20 N 3.85 0.74 -0.86 2.23 5.85 -1.99 -1.92 115.31 123.20 3hxf h LEU 20 Ca 0.40 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 59.09 3hxf h LEU 20 Cb 0.39 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 3hxf h LEU 20 CO 1.07 0.48 0.28 -0.33 -0.34 0.00 0.00 178.44 179.59 3hxf h GLU 21 N 0.87 1.11 -0.53 1.25 3.07 -2.00 -1.31 114.58 117.05 3hxf h GLU 21 Ca 0.34 -0.21 -0.08 0.00 -0.50 0.00 0.00 59.36 58.92 3hxf h GLU 21 Cb 0.16 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 3hxf h GLU 21 CO -0.17 0.92 0.01 0.87 -1.40 0.00 0.00 179.01 179.24 3hxf h LYS 22 N 1.08 0.88 -0.22 2.33 1.57 -1.77 -2.14 116.57 118.30 3hxf h LYS 22 Ca 0.25 -0.25 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 3hxf h LYS 22 Cb 0.23 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3hxf h LYS 22 CO -0.02 0.87 -0.59 0.45 -0.57 0.00 0.00 179.45 179.60 3hxf h HIS 23 N 0.82 1.01 -0.79 -1.35 3.86 -0.67 -0.70 115.15 117.33 3hxf h HIS 23 Ca 0.16 -0.39 -0.03 0.00 -1.16 0.00 0.00 60.37 58.94 3hxf h HIS 23 Cb 0.47 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.73 3hxf h HIS 23 CO 0.03 1.21 0.36 0.00 0.86 0.00 0.00 177.93 180.39 3hxf h ALA 24 N 0.61 1.01 -0.82 2.45 0.00 -1.24 -1.37 119.26 119.90 3hxf h ALA 24 Ca -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3hxf h ALA 24 Cb 1.21 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 3hxf h ALA 24 CO 0.13 0.59 0.49 -0.44 0.00 0.00 0.00 179.25 180.02 3hxf h ASP 25 N 1.12 0.99 -0.17 0.00 3.45 -1.21 -0.19 116.42 120.40 3hxf h ASP 25 Ca 0.27 -0.07 -0.01 0.00 0.43 0.00 0.00 57.03 57.65 3hxf h ASP 25 Cb 0.14 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.65 3hxf h ASP 25 CO -0.03 0.77 0.08 0.22 -1.57 0.00 0.00 179.24 178.70 3hxf h TYR 26 N 1.13 0.24 -0.23 4.55 3.20 -0.70 -1.95 116.97 123.22 3hxf h TYR 26 Ca 0.29 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.08 3hxf h TYR 26 Cb -0.04 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 3hxf h TYR 26 CO -0.00 0.27 -0.13 0.82 -1.64 0.00 0.00 178.16 177.47 3hxf h ILE 27 N 0.15 1.31 -0.12 1.81 1.08 -1.17 -2.09 117.51 118.48 3hxf h ILE 27 Ca 0.06 -1.23 -0.01 0.00 -0.39 0.00 0.00 64.86 63.29 3hxf h ILE 27 Cb 0.12 1.62 -0.01 0.00 -3.07 0.00 0.00 36.82 35.49 3hxf h ILE 27 CO -0.01 0.38 0.04 0.00 -0.69 0.00 0.00 178.15 177.87 3hxf h ALA 28 N 0.70 1.85 -0.00 1.87 0.00 -0.94 -1.66 119.26 121.07 3hxf h ALA 28 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hxf h ALA 28 Cb 0.65 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3hxf h ALA 28 CO 0.04 0.13 -0.35 0.43 0.00 0.00 0.00 179.25 179.49 3hxf n SER 29 N -4.48 0.61 -4.75 0.00 7.64 -0.74 -4.98 113.62 106.92 3hxf n SER 29 Ca -0.01 -0.41 -0.41 0.00 1.01 0.00 0.00 58.87 59.05 3hxf n SER 29 Cb 0.11 0.13 -0.02 0.00 -1.01 0.00 0.00 64.21 63.42 3hxf n SER 29 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3hxf s TYR 30 N -2.80 3.00 -0.70 1.43 6.14 -0.63 -2.57 117.35 121.23 3hxf s TYR 30 Ca 0.17 1.11 -0.01 0.00 0.64 0.00 0.00 57.07 58.98 3hxf s TYR 30 Cb 0.18 -3.80 0.00 0.00 0.42 0.00 0.00 41.96 38.76 3hxf s TYR 30 CO 0.61 -2.53 0.15 0.41 0.64 0.00 0.00 175.55 174.83 3hxf n GLY 31 N 1.84 0.10 1.22 8.97 0.00 -1.26 -5.06 105.19 110.99 3hxf n GLY 31 Ca 0.05 -0.45 0.01 0.00 0.00 0.00 0.00 46.02 45.63 3hxf n GLY 31 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hxf n SER 32 N 0.12 1.98 0.07 1.61 3.41 -1.06 -5.18 113.62 114.57 3hxf n SER 32 Ca -0.07 -3.24 0.00 0.00 -0.26 0.00 0.00 58.87 55.30 3hxf n SER 32 Cb 0.56 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 3hxf n SER 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hxf n TYR 37 N -0.59 -2.65 1.02 7.33 9.36 -1.26 -5.11 117.16 125.25 3hxf n TYR 37 Ca 0.18 0.46 0.09 0.00 3.32 0.00 0.00 57.90 61.95 3hxf n TYR 37 Cb 0.86 1.41 0.50 0.00 -0.63 0.00 0.00 39.34 41.48 3hxf n TYR 37 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 3hxf n GLU 38 N -2.64 0.44 -0.05 2.98 -0.58 -1.26 -0.43 120.64 119.11 3hxf n GLU 38 Ca 0.00 0.05 -0.22 0.00 -0.42 0.00 0.00 57.16 56.57 3hxf n GLU 38 Cb 0.00 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.24 3hxf n GLU 38 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 3hxf n TYR 39 N -1.12 0.87 0.04 -0.32 9.36 -1.26 -2.93 117.16 121.80 3hxf n TYR 39 Ca 0.12 0.23 -0.14 0.00 3.32 0.00 0.00 57.90 61.43 3hxf n TYR 39 Cb 0.09 -1.11 -0.03 0.00 -0.63 0.00 0.00 39.34 37.67 3hxf n TYR 39 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3hxf h MET 41 N 0.34 0.00 -0.33 0.00 2.86 -0.91 -2.97 114.93 113.92 3hxf h MET 41 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3hxf h MET 41 Cb 1.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.10 3hxf h MET 41 CO 0.15 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 176.99 3hxf n SER 42 N -2.52 3.36 0.01 1.22 3.41 -1.08 -4.54 113.62 113.48 3hxf n SER 42 Ca -0.01 -2.37 0.14 0.00 -0.26 0.00 0.00 58.87 56.37 3hxf n SER 42 Cb 0.12 -0.36 0.59 0.00 -0.26 0.00 0.00 64.21 64.30 3hxf n SER 42 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3hxf h GLU 43 N 2.07 0.19 0.00 4.33 4.81 -1.41 0.98 114.58 125.55 3hxf h GLU 43 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3hxf h GLU 43 Cb 1.02 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.35 3hxf h GLU 43 CO 0.09 0.13 0.00 2.48 -0.73 0.00 0.00 179.01 180.98 3hxf n TYR 44 N -4.45 0.36 -1.33 0.92 4.11 -1.26 -1.63 117.16 113.88 3hxf n TYR 44 Ca 0.07 0.19 0.07 0.00 -0.00 0.00 0.00 57.90 58.23 3hxf n TYR 44 Cb 0.39 -0.80 0.10 0.00 -0.00 0.00 0.00 39.34 39.03 3hxf n TYR 44 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.86 178.33 3hxf n LEU 45 N -1.87 1.67 -0.16 -3.48 -0.00 0.32 -4.71 117.00 108.78 3hxf n LEU 45 Ca -0.01 -2.48 -0.02 0.00 -0.00 0.00 0.00 56.01 53.50 3hxf n LEU 45 Cb 0.02 -0.30 0.06 0.00 -0.00 0.00 0.00 43.42 43.20 3hxf n LEU 45 CO 0.05 0.58 0.90 -0.09 -0.00 0.00 0.00 177.39 178.82 3hxf h ARG 46 N 0.00 0.21 -0.78 1.47 9.65 -1.15 -1.54 114.38 122.23 3hxf h ARG 46 Ca 0.00 -0.01 0.11 0.00 -1.10 0.00 0.00 59.98 58.97 3hxf h ARG 46 Cb 1.11 -0.05 -0.08 0.00 -1.39 0.00 0.00 29.97 29.57 3hxf h ARG 46 CO 0.00 0.14 0.41 1.98 2.80 0.00 0.00 179.97 185.30 3hxf h MET 47 N 0.22 0.65 -0.60 0.20 4.05 -1.01 0.37 114.93 118.80 3hxf h MET 47 Ca 0.25 -0.04 -0.10 0.00 -0.28 0.00 0.00 59.70 59.53 3hxf h MET 47 Cb 0.34 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 3hxf h MET 47 CO -0.34 0.43 -0.01 0.77 0.23 0.00 0.00 176.91 178.00 3hxf h SER 48 N 0.67 1.04 -0.57 1.39 0.02 -1.61 -1.80 113.55 112.70 3hxf h SER 48 Ca 0.39 -0.31 0.06 0.00 -0.84 0.00 0.00 61.79 61.10 3hxf h SER 48 Cb 0.44 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 62.64 3hxf h SER 48 CO -0.29 1.10 0.27 1.23 -1.14 0.00 0.00 176.83 178.01 3hxf h GLY 49 N 0.96 0.80 0.94 -3.77 0.00 -0.52 0.11 103.07 101.59 3hxf h GLY 49 Ca 0.17 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 3hxf h GLY 49 CO 0.03 0.09 0.09 -2.08 0.00 0.00 0.00 176.54 174.67 3hxf h VAL 50 N 0.52 1.23 -0.67 4.60 2.07 -0.86 -1.82 116.25 121.31 3hxf h VAL 50 Ca 0.26 -0.80 0.05 0.00 0.82 0.00 0.00 66.70 67.03 3hxf h VAL 50 Cb 0.21 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 3hxf h VAL 50 CO -0.20 0.28 0.39 0.22 0.02 0.00 0.00 177.57 178.28 3hxf h TYR 51 N 0.52 0.73 -0.29 1.57 3.20 -0.86 -0.37 116.97 121.47 3hxf h TYR 51 Ca 0.13 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 3hxf h TYR 51 Cb 0.32 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 3hxf h TYR 51 CO 0.02 0.37 0.11 -1.49 -1.64 0.00 0.00 178.16 175.53 3hxf h TRP 52 N 0.74 0.44 0.02 -3.82 6.55 -0.31 -1.27 115.95 118.31 3hxf h TRP 52 Ca 0.29 -0.04 -0.00 0.00 0.95 0.00 0.00 58.89 60.10 3hxf h TRP 52 Cb 0.13 -0.13 0.00 0.00 -0.86 0.00 0.00 29.16 28.30 3hxf h TRP 52 CO -0.07 0.44 -0.01 0.78 -1.05 0.00 0.00 178.44 178.54 3hxf h GLY 53 N 0.31 -0.03 0.98 1.49 0.00 -1.13 -1.54 103.07 103.15 3hxf h GLY 53 Ca 0.10 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.41 3hxf h GLY 53 CO -0.01 -0.01 0.25 1.41 0.00 0.00 0.00 176.54 178.18 3hxf h LEU 54 N -0.23 0.75 -0.47 3.11 3.38 -1.04 -1.82 115.31 118.99 3hxf h LEU 54 Ca -0.00 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 3hxf h LEU 54 Cb 0.22 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3hxf h LEU 54 CO 0.01 0.69 -0.13 0.74 0.09 0.00 0.00 178.44 179.84 3hxf h THR 55 N 0.76 1.27 -0.29 0.22 2.02 -1.22 -0.62 112.91 115.05 3hxf h THR 55 Ca 0.19 -1.26 -0.10 0.00 0.77 0.00 0.00 66.41 66.01 3hxf h THR 55 Cb 0.15 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 3hxf h THR 55 CO -0.02 0.43 -0.25 1.62 0.37 0.00 0.00 175.52 177.67 3hxf h VAL 56 N 0.76 1.27 -0.19 3.16 3.04 -1.20 -1.12 116.25 121.97 3hxf h VAL 56 Ca 0.12 -1.30 -0.01 0.00 -1.01 0.00 0.00 66.70 64.50 3hxf h VAL 56 Cb 0.68 1.32 -0.01 0.00 -2.01 0.00 0.00 31.29 31.27 3hxf h VAL 56 CO 0.05 0.42 0.10 0.24 -1.01 0.00 0.00 177.57 177.37 3hxf h MET 57 N 0.49 0.27 -0.80 4.17 2.07 -1.10 -1.51 114.93 118.53 3hxf h MET 57 Ca 0.07 -0.03 -0.02 0.00 -2.07 0.00 0.00 59.70 57.65 3hxf h MET 57 Cb 0.70 -0.05 -0.04 0.00 -1.87 0.00 0.00 31.60 30.34 3hxf h MET 57 CO 0.05 0.28 0.43 0.22 1.07 0.00 0.00 176.91 178.96 3hxf h ASP 58 N 0.19 1.00 -0.05 1.22 -0.00 -0.88 0.12 116.42 118.03 3hxf h ASP 58 Ca 0.07 -0.10 -0.00 0.00 -0.00 0.00 0.00 57.03 56.99 3hxf h ASP 58 Cb 0.09 -0.25 -0.00 0.00 -0.00 0.00 0.00 39.33 39.16 3hxf h ASP 58 CO -0.01 0.82 0.03 -0.07 -0.00 0.00 0.00 179.24 180.01 3hxf h LEU 59 N 1.11 0.06 -1.17 2.28 3.38 -1.02 -1.54 115.31 118.41 3hxf h LEU 59 Ca 0.28 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3hxf h LEU 59 Cb 0.04 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3hxf h LEU 59 CO -0.04 0.05 0.00 0.23 0.09 0.00 0.00 178.44 178.77 3hxf n MET 60 N -4.52 1.77 -1.32 1.13 2.81 -0.43 -1.42 117.12 115.13 3hxf n MET 60 Ca -0.02 -1.16 -0.11 0.00 -1.81 0.00 0.00 57.70 54.60 3hxf n MET 60 Cb 0.09 -1.38 -0.05 0.00 -0.71 0.00 0.00 33.22 31.17 3hxf n MET 60 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hxf n GLY 61 N 1.13 1.23 0.66 3.03 0.00 -0.58 -4.95 105.19 105.71 3hxf n GLY 61 Ca 0.16 -0.44 0.08 0.00 0.00 0.00 0.00 46.02 45.81 3hxf n GLY 61 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hxf n GLN 62 N -2.52 2.26 -0.05 1.61 1.13 0.31 -4.76 117.38 115.36 3hxf n GLN 62 Ca -0.11 -2.81 0.14 0.00 -1.94 0.00 0.00 57.00 52.27 3hxf n GLN 62 Cb 0.39 -1.73 0.55 0.00 0.11 0.00 0.00 30.24 29.56 3hxf n GLN 62 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 3hxf h LEU 63 N 1.13 0.26 -2.38 1.08 5.85 -1.87 -2.13 115.31 117.26 3hxf h LEU 63 Ca 0.02 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3hxf h LEU 63 Cb 1.32 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.30 3hxf h LEU 63 CO 0.17 0.15 0.00 1.12 -0.34 0.00 0.00 178.44 179.54 3hxf h HIS 64 N 0.29 0.00 0.00 1.25 2.07 -1.93 -1.16 115.15 115.67 3hxf h HIS 64 Ca 0.26 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.78 3hxf h HIS 64 Cb 0.64 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.62 3hxf h HIS 64 CO -0.00 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 175.40 3hxf n ARG 65 N -3.08 0.11 -2.86 5.12 1.74 -0.80 -4.77 116.66 112.13 3hxf n ARG 65 Ca -0.02 0.14 -0.21 0.00 -0.77 0.00 0.00 57.85 57.00 3hxf n ARG 65 Cb 0.16 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.13 3hxf n ARG 65 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3hxf s MET 66 N -2.83 2.77 -0.77 5.56 -1.94 -0.44 -4.99 119.30 116.67 3hxf s MET 66 Ca 0.13 -0.78 -0.12 0.00 -1.71 0.00 0.00 55.69 53.21 3hxf s MET 66 Cb 0.13 -2.57 0.20 0.00 2.01 0.00 0.00 34.83 34.60 3hxf s MET 66 CO 0.33 -0.46 0.69 1.21 -0.01 0.00 0.00 175.02 176.78 3hxf s ASN 67 N -4.34 6.45 0.09 3.03 3.84 -1.26 -4.93 114.94 117.83 3hxf s ASN 67 Ca 0.53 -2.66 -0.27 0.00 0.21 0.00 0.00 52.86 50.67 3hxf s ASN 67 Cb -0.10 -2.14 -0.13 0.00 -0.55 0.00 0.00 41.25 38.32 3hxf s ASN 67 CO 0.37 -0.55 1.67 0.50 -2.79 0.00 0.00 177.10 176.30 3hxf h LYS 68 N 7.71 -0.42 -0.65 0.43 3.64 -1.92 -2.04 116.57 123.32 3hxf h LYS 68 Ca 0.06 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 3hxf h LYS 68 Cb 1.03 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 3hxf h LYS 68 CO 0.76 -0.28 0.25 1.49 -2.27 0.00 0.00 179.45 179.40 3hxf h GLU 69 N -0.44 0.96 -0.74 1.90 4.81 -2.00 -0.58 114.58 118.50 3hxf h GLU 69 Ca -0.01 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 3hxf h GLU 69 Cb 0.39 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 3hxf h GLU 69 CO -0.01 0.79 0.43 1.49 -0.73 0.00 0.00 179.01 180.97 3hxf h GLU 70 N 0.94 1.01 -0.32 1.92 4.81 -1.96 -2.35 114.58 118.64 3hxf h GLU 70 Ca 0.22 -0.10 -0.16 0.00 -0.13 0.00 0.00 59.36 59.18 3hxf h GLU 70 Cb 0.19 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3hxf h GLU 70 CO -0.02 0.74 -0.45 0.82 -0.73 0.00 0.00 179.01 179.37 3hxf h ILE 71 N 1.01 1.28 -0.73 2.32 2.04 -0.52 -2.12 117.51 120.80 3hxf h ILE 71 Ca 0.26 -1.63 -0.01 0.00 1.00 0.00 0.00 64.86 64.48 3hxf h ILE 71 Cb -0.00 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 3hxf h ILE 71 CO -0.05 0.53 0.42 -0.07 0.00 0.00 0.00 178.15 178.99 3hxf h LEU 72 N 0.66 0.89 -0.49 1.44 3.38 -0.99 -0.60 115.31 119.59 3hxf h LEU 72 Ca 0.04 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3hxf h LEU 72 Cb 1.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 3hxf h LEU 72 CO 0.10 0.71 0.19 0.58 0.09 0.00 0.00 178.44 180.11 3hxf h VAL 73 N 1.00 1.21 -0.61 1.22 2.07 -1.33 -2.13 116.25 117.68 3hxf h VAL 73 Ca 0.26 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 67.15 3hxf h VAL 73 Cb -0.01 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 3hxf h VAL 73 CO -0.05 0.25 0.36 0.15 0.02 0.00 0.00 177.57 178.31 3hxf h PHE 74 N 0.65 0.68 -0.16 1.57 3.57 -1.04 -1.32 116.94 120.88 3hxf h PHE 74 Ca 0.16 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 3hxf h PHE 74 Cb 0.20 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 3hxf h PHE 74 CO 0.01 0.37 0.07 0.82 -2.23 0.00 0.00 178.31 177.35 3hxf h ILE 75 N 0.71 1.15 -0.87 1.41 2.04 -0.91 -2.07 117.51 118.97 3hxf h ILE 75 Ca 0.25 -0.44 0.06 0.00 1.00 0.00 0.00 64.86 65.74 3hxf h ILE 75 Cb 0.06 1.14 -0.06 0.00 -0.74 0.00 0.00 36.82 37.22 3hxf h ILE 75 CO -0.12 0.14 0.55 0.50 0.00 0.00 0.00 178.15 179.21 3hxf h LYS 76 N 0.12 0.97 0.00 2.37 3.64 -1.23 -0.05 116.57 122.38 3hxf h LYS 76 Ca 0.06 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hxf h LYS 76 Cb 0.16 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3hxf h LYS 76 CO -0.01 0.64 0.00 0.77 -2.27 0.00 0.00 179.45 178.59 3hxf h SER 77 N 1.00 0.00 0.00 4.20 0.02 -0.73 -2.89 113.55 115.15 3hxf h SER 77 Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 3hxf h SER 77 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3hxf h SER 77 CO -0.17 0.00 -0.32 0.00 -1.14 0.00 0.00 176.83 175.20 3hxf s GLN 79 N -2.34 4.36 0.69 0.00 0.74 -1.09 -1.05 119.66 120.96 3hxf s GLN 79 Ca 0.22 1.27 -0.04 0.00 0.05 0.00 0.00 55.36 56.86 3hxf s GLN 79 Cb 0.19 -3.56 0.08 0.00 1.10 0.00 0.00 33.01 30.82 3hxf s GLN 79 CO 0.49 -0.36 0.97 -1.01 -0.55 0.00 0.00 175.29 174.83 3hxf s HIS 80 N 2.20 2.41 0.36 1.67 3.76 0.55 -4.97 115.29 121.27 3hxf s HIS 80 Ca 0.45 0.11 0.20 0.00 -0.15 0.00 0.00 55.06 55.66 3hxf s HIS 80 Cb -0.17 -3.10 1.02 0.00 1.11 0.00 0.00 32.58 31.44 3hxf s HIS 80 CO 0.15 -1.46 1.92 1.05 -0.85 0.00 0.00 174.74 175.55 3hxf h GLU 81 N -0.49 0.00 0.00 1.40 9.09 -1.97 -1.68 114.58 120.93 3hxf h GLU 81 Ca -0.41 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.00 3hxf h GLU 81 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.39 3hxf h GLU 81 CO 0.50 0.25 0.00 0.00 0.05 0.00 0.00 179.01 179.81 3hxf n GLY 83 N 0.02 3.16 3.84 0.00 0.00 -0.63 -4.06 105.19 107.52 3hxf n GLY 83 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3hxf n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hxf s GLY 84 N -2.75 1.66 -0.08 -0.02 0.00 -1.26 -3.64 107.32 101.23 3hxf s GLY 84 Ca 0.00 -0.00 0.04 0.00 0.00 0.00 0.00 44.72 44.75 3hxf s GLY 84 CO 0.00 0.29 -0.19 0.14 0.00 0.00 0.00 173.10 173.34 3hxf s VAL 85 N -3.11 2.56 0.53 1.40 1.01 -1.26 -0.33 120.40 121.20 3hxf s VAL 85 Ca 0.57 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.68 3hxf s VAL 85 Cb -0.13 -2.00 0.02 0.00 0.00 0.00 0.00 36.38 34.28 3hxf s VAL 85 CO 0.54 0.56 0.76 -0.94 0.00 0.00 0.00 175.10 176.03 3hxf s SER 86 N -0.07 5.44 0.35 3.32 1.04 -0.22 -1.98 113.70 121.59 3hxf s SER 86 Ca -0.05 0.15 0.14 0.00 0.48 0.00 0.00 55.95 56.68 3hxf s SER 86 Cb -0.14 -1.15 0.65 0.00 0.10 0.00 0.00 66.02 65.48 3hxf s SER 86 CO 0.04 -1.03 1.76 0.00 0.98 0.00 0.00 173.24 175.00 3hxf h ALA 87 N 0.12 1.18 -2.98 5.32 0.00 -1.84 -3.44 119.26 117.61 3hxf h ALA 87 Ca -0.44 -0.39 0.07 0.00 0.00 0.00 0.00 54.91 54.15 3hxf h ALA 87 Cb 1.28 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 3hxf h ALA 87 CO 0.55 0.54 0.24 0.45 0.00 0.00 0.00 179.25 181.02 3hxf s SER 88 N -6.76 -0.28 0.06 0.00 0.15 -1.26 -0.40 113.70 105.21 3hxf s SER 88 Ca -0.02 -0.56 -0.31 0.00 0.70 0.00 0.00 55.95 55.76 3hxf s SER 88 Cb 0.13 0.71 -0.08 0.00 -1.71 0.00 0.00 66.02 65.08 3hxf s SER 88 CO 0.72 -1.31 1.57 -0.63 1.20 0.00 0.00 173.24 174.79 3hxf s ILE 89 N -3.89 3.19 0.00 6.45 1.01 -1.26 -1.78 121.20 124.92 3hxf s ILE 89 Ca 0.10 0.66 0.00 0.00 0.00 0.00 0.00 60.65 61.41 3hxf s ILE 89 Cb -0.06 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 38.99 3hxf s ILE 89 CO 0.06 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.61 3hxf n GLY 90 N 3.86 1.69 3.92 6.18 0.00 -1.26 -5.04 105.19 114.54 3hxf n GLY 90 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3hxf n GLY 90 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hxf s HIS 91 N -2.53 2.23 0.13 1.61 3.76 -0.73 -5.07 115.29 114.68 3hxf s HIS 91 Ca 0.00 0.49 -0.07 0.00 -0.15 0.00 0.00 55.06 55.32 3hxf s HIS 91 Cb 0.00 -3.79 -0.06 0.00 1.11 0.00 0.00 32.58 29.85 3hxf s HIS 91 CO 0.00 -2.20 0.41 -0.51 -0.85 0.00 0.00 174.74 171.59 3hxf s ASP 92 N -4.74 6.56 0.47 1.40 -0.00 -1.26 -4.74 116.67 114.36 3hxf s ASP 92 Ca 0.68 0.70 -0.23 0.00 -0.00 0.00 0.00 52.55 53.70 3hxf s ASP 92 Cb -0.07 -2.14 -0.07 0.00 -0.00 0.00 0.00 42.92 40.64 3hxf s ASP 92 CO 0.51 0.08 1.26 -2.16 -0.00 0.00 0.00 175.17 174.86 3hxf s PRO 93 N -2.40 3.64 0.01 8.23 0.04 -1.26 -4.23 135.00 139.03 3hxf s PRO 93 Ca 0.39 2.01 -0.14 0.00 0.04 0.00 0.00 61.00 63.31 3hxf s PRO 93 Cb -0.13 -2.46 0.02 0.00 0.04 0.00 0.00 34.50 31.97 3hxf s PRO 93 CO 0.22 -0.72 0.29 -1.58 0.04 0.00 0.00 177.00 175.25 3hxf s HIS 94 N -1.39 -0.12 0.48 0.56 2.46 -0.84 -4.83 115.29 111.60 3hxf s HIS 94 Ca 0.64 0.10 0.16 0.00 0.47 0.00 0.00 55.06 56.42 3hxf s HIS 94 Cb -0.35 0.08 1.16 0.00 -0.13 0.00 0.00 32.58 33.34 3hxf s HIS 94 CO 0.42 -0.43 2.06 -0.07 -2.47 0.00 0.00 174.74 174.26 3hxf h LEU 95 N 3.63 0.18 -0.38 8.88 3.38 -1.39 -0.76 115.31 128.85 3hxf h LEU 95 Ca -0.31 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 3hxf h LEU 95 Cb 1.19 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 3hxf h LEU 95 CO 0.43 0.12 0.19 -0.07 0.09 0.00 0.00 178.44 179.19 3hxf h LEU 96 N 0.21 0.49 0.00 1.67 3.38 -1.91 -1.13 115.31 118.01 3hxf h LEU 96 Ca 0.15 -0.12 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 3hxf h LEU 96 Cb 0.34 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3hxf h LEU 96 CO -0.03 0.47 -0.97 1.88 0.09 0.00 0.00 178.44 179.89 3hxf h TYR 97 N 0.47 0.00 -0.43 1.13 0.05 -1.68 -2.29 116.97 114.23 3hxf h TYR 97 Ca 0.13 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.89 3hxf h TYR 97 Cb 0.11 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.83 3hxf h TYR 97 CO -0.02 0.68 0.19 1.15 -1.05 0.00 0.00 178.16 179.12 3hxf h THR 98 N 0.00 1.19 0.07 -2.88 2.02 -1.03 -0.93 112.91 111.33 3hxf h THR 98 Ca -0.07 -0.55 0.01 0.00 0.77 0.00 0.00 66.41 66.57 3hxf h THR 98 Cb 1.58 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.73 3hxf h THR 98 CO 0.08 0.21 -0.12 0.25 0.37 0.00 0.00 175.52 176.30 3hxf h LEU 99 N 0.55 -0.33 -0.64 2.58 5.85 -1.15 -1.49 115.31 120.68 3hxf h LEU 99 Ca 0.15 0.04 0.11 0.00 0.84 0.00 0.00 57.88 59.01 3hxf h LEU 99 Cb 0.14 0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.22 3hxf h LEU 99 CO -0.02 -0.18 0.24 0.28 -0.34 0.00 0.00 178.44 178.43 3hxf h SER 100 N -0.24 0.23 -0.49 1.25 0.02 -1.37 0.25 113.55 113.21 3hxf h SER 100 Ca 0.02 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3hxf h SER 100 Cb 0.25 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 3hxf h SER 100 CO -0.07 0.12 0.28 0.00 -1.14 0.00 0.00 176.83 176.03 3hxf h ALA 101 N 1.45 0.62 -0.14 3.77 0.00 -1.02 -1.05 119.26 122.89 3hxf h ALA 101 Ca 0.33 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 3hxf h ALA 101 Cb 0.44 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3hxf h ALA 101 CO -0.33 0.12 -0.45 0.28 0.00 0.00 0.00 179.25 178.87 3hxf h VAL 102 N 0.65 1.32 -0.38 0.00 2.07 -0.43 -1.15 116.25 118.33 3hxf h VAL 102 Ca 0.17 -1.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.03 3hxf h VAL 102 Cb 0.01 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 3hxf h VAL 102 CO -0.03 0.50 0.14 1.56 0.02 0.00 0.00 177.57 179.75 3hxf h GLN 103 N 0.29 0.58 0.16 1.57 4.20 -0.20 -0.84 115.11 120.87 3hxf h GLN 103 Ca 0.02 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.62 3hxf h GLN 103 Cb 0.92 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 3hxf h GLN 103 CO 0.08 0.57 -0.14 0.82 -0.67 0.00 0.00 178.83 179.49 3hxf h ILE 104 N 0.47 0.69 -0.67 2.54 2.04 -0.98 -0.79 117.51 120.81 3hxf h ILE 104 Ca 0.12 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.06 3hxf h ILE 104 Cb 0.22 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 3hxf h ILE 104 CO -0.01 0.00 0.44 -0.07 0.00 0.00 0.00 178.15 178.51 3hxf h LEU 105 N -0.32 0.57 -0.36 1.44 3.38 -1.12 -1.51 115.31 117.40 3hxf h LEU 105 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3hxf h LEU 105 Cb 0.29 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3hxf h LEU 105 CO -0.03 0.36 -0.13 0.74 0.09 0.00 0.00 178.44 179.47 3hxf h THR 106 N 0.64 1.28 -0.99 0.22 2.02 -0.83 0.27 112.91 115.53 3hxf h THR 106 Ca 0.29 -1.23 0.07 0.00 0.77 0.00 0.00 66.41 66.31 3hxf h THR 106 Cb 0.32 1.33 -0.07 0.00 -1.74 0.00 0.00 68.15 68.00 3hxf h THR 106 CO -0.09 0.40 0.64 -0.07 0.37 0.00 0.00 175.52 176.77 3hxf h LEU 107 N 0.51 1.02 -1.32 2.58 3.38 -0.49 -2.37 115.31 118.61 3hxf h LEU 107 Ca 0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3hxf h LEU 107 Cb 0.66 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3hxf h LEU 107 CO 0.04 0.65 0.00 -1.22 0.09 0.00 0.00 178.44 178.00 3hxf n TYR 108 N -4.50 0.41 -4.20 1.13 4.01 -0.63 -4.96 117.16 108.42 3hxf n TYR 108 Ca 0.15 -0.20 -0.30 0.00 -0.16 0.00 0.00 57.90 57.38 3hxf n TYR 108 Cb 0.19 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.15 3hxf n TYR 108 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3hxf n ASP 109 N 0.54 0.25 -1.86 7.72 2.03 -0.32 -4.89 116.55 120.02 3hxf n ASP 109 Ca 0.14 -1.20 0.00 0.00 0.52 0.00 0.00 54.79 54.25 3hxf n ASP 109 Cb 0.33 -2.02 0.05 0.00 -0.72 0.00 0.00 41.12 38.76 3hxf n ASP 109 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3hxf n SER 110 N -2.87 1.62 -0.12 1.67 7.64 0.81 -4.92 113.62 117.45 3hxf n SER 110 Ca -0.31 -2.41 0.15 0.00 1.01 0.00 0.00 58.87 57.31 3hxf n SER 110 Cb 0.69 -0.39 0.52 0.00 -1.01 0.00 0.00 64.21 64.02 3hxf n SER 110 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3hxf h ILE 111 N 5.36 0.82 -0.04 0.44 1.08 -1.90 -1.66 117.51 121.61 3hxf h ILE 111 Ca -0.12 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 3hxf h ILE 111 Cb 1.55 0.42 0.00 0.00 -3.07 0.00 0.00 36.82 35.72 3hxf h ILE 111 CO 0.17 0.07 0.00 1.41 -0.69 0.00 0.00 178.15 179.11 3hxf n HIS 112 N -4.46 0.04 0.14 1.37 8.25 -1.26 -2.34 115.22 116.96 3hxf n HIS 112 Ca 0.12 -0.02 0.12 0.00 -0.26 0.00 0.00 57.72 57.68 3hxf n HIS 112 Cb 0.49 0.00 0.64 0.00 1.12 0.00 0.00 29.99 32.24 3hxf n HIS 112 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3hxf h VAL 113 N 0.50 0.91 -1.23 1.59 2.07 -1.72 -3.43 116.25 114.94 3hxf h VAL 113 Ca 0.00 -0.02 -0.57 0.00 0.82 0.00 0.00 66.70 66.94 3hxf h VAL 113 Cb 0.11 0.85 -0.07 0.00 -1.52 0.00 0.00 31.29 30.66 3hxf h VAL 113 CO 0.00 0.01 -0.43 0.27 0.02 0.00 0.00 177.57 177.44 3hxf s ILE 114 N -5.09 2.11 -0.63 4.57 -4.36 -0.99 -4.76 121.20 112.05 3hxf s ILE 114 Ca -0.05 -1.61 -0.25 0.00 -0.26 0.00 0.00 60.65 58.48 3hxf s ILE 114 Cb 0.18 -2.72 0.05 0.00 1.25 0.00 0.00 42.46 41.22 3hxf s ILE 114 CO 0.70 0.00 1.06 0.21 0.24 0.00 0.00 174.94 177.14 3hxf s ASN 115 N -4.04 6.25 0.22 4.36 3.04 -1.26 -4.90 114.94 118.62 3hxf s ASN 115 Ca 0.38 -0.53 -0.00 0.00 0.04 0.00 0.00 52.86 52.74 3hxf s ASN 115 Cb 0.01 -2.47 0.20 0.00 -1.54 0.00 0.00 41.25 37.45 3hxf s ASN 115 CO 0.22 -1.47 1.56 0.58 -3.04 0.00 0.00 177.10 174.95 3hxf h VAL 116 N 6.02 1.32 -0.40 -5.21 2.07 -1.92 -2.27 116.25 115.85 3hxf h VAL 116 Ca -0.27 -1.71 -0.07 0.00 0.82 0.00 0.00 66.70 65.47 3hxf h VAL 116 Cb 1.07 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 3hxf h VAL 116 CO 1.17 0.53 -0.03 0.44 0.02 0.00 0.00 177.57 179.71 3hxf h ASP 117 N 0.38 0.63 0.11 0.57 3.32 -1.99 -1.30 116.42 118.13 3hxf h ASP 117 Ca 0.02 -0.15 -0.24 0.00 0.02 0.00 0.00 57.03 56.68 3hxf h ASP 117 Cb 1.00 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 40.39 3hxf h ASP 117 CO 0.09 0.72 -0.94 0.11 -1.72 0.00 0.00 179.24 177.50 3hxf h LYS 118 N 0.62 0.60 -0.30 3.56 1.57 -1.85 -1.94 116.57 118.83 3hxf h LYS 118 Ca 0.12 -0.60 0.05 0.00 -1.87 0.00 0.00 60.65 58.35 3hxf h LYS 118 Cb 0.43 0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.86 3hxf h LYS 118 CO 0.02 1.21 0.03 0.28 -0.57 0.00 0.00 179.45 180.42 3hxf h VAL 119 N 0.36 0.82 -0.47 0.50 2.07 -1.18 0.54 116.25 118.89 3hxf h VAL 119 Ca -0.09 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.44 3hxf h VAL 119 Cb 1.58 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 3hxf h VAL 119 CO 0.18 0.02 0.19 0.58 0.02 0.00 0.00 177.57 178.56 3hxf h VAL 120 N 0.13 0.88 -0.45 2.57 2.07 -1.18 -0.53 116.25 119.74 3hxf h VAL 120 Ca 0.14 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.46 3hxf h VAL 120 Cb 0.17 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 3hxf h VAL 120 CO -0.21 0.07 -0.02 0.00 0.02 0.00 0.00 177.57 177.43 3hxf h ALA 121 N 1.29 1.13 0.29 1.67 0.00 -0.84 -0.74 119.26 122.05 3hxf h ALA 121 Ca 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3hxf h ALA 121 Cb 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hxf h ALA 121 CO -0.20 0.56 -0.14 -0.92 0.00 0.00 0.00 179.25 178.55 3hxf h TYR 122 N 0.70 -0.36 -0.13 0.00 3.20 -0.43 -1.55 116.97 118.39 3hxf h TYR 122 Ca 0.14 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.02 3hxf h TYR 122 Cb 0.45 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 3hxf h TYR 122 CO 0.02 -0.19 0.01 0.28 -1.64 0.00 0.00 178.16 176.65 3hxf h VAL 123 N -0.44 0.92 -0.98 1.81 2.07 -0.83 -2.54 116.25 116.26 3hxf h VAL 123 Ca -0.04 -0.02 0.15 0.00 0.82 0.00 0.00 66.70 67.61 3hxf h VAL 123 Cb 0.34 0.86 -0.10 0.00 -1.52 0.00 0.00 31.29 30.87 3hxf h VAL 123 CO 0.07 0.01 0.59 -0.61 0.02 0.00 0.00 177.57 177.65 3hxf h GLN 124 N 0.06 0.81 0.00 1.57 4.15 -1.09 -2.44 115.11 118.17 3hxf h GLN 124 Ca 0.06 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 3hxf h GLN 124 Cb 0.06 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.57 3hxf h GLN 124 CO -0.09 0.54 -0.06 0.66 -1.93 0.00 0.00 178.83 177.94 3hxf h SER 125 N 0.83 0.00 0.07 -0.69 4.64 -0.84 -2.97 113.55 114.59 3hxf h SER 125 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 3hxf h SER 125 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3hxf h SER 125 CO -0.33 0.06 -0.14 0.18 -0.87 0.00 0.00 176.83 175.73 3hxf n LEU 126 N -3.27 1.60 -4.75 5.97 4.77 -0.92 -4.90 117.00 115.51 3hxf n LEU 126 Ca -0.01 -0.52 -0.40 0.00 -0.03 0.00 0.00 56.01 55.06 3hxf n LEU 126 Cb 0.26 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.25 3hxf n LEU 126 CO 0.27 0.28 0.64 -1.58 -1.33 0.00 0.00 177.39 175.67 3hxf s GLN 127 N -2.23 4.83 0.45 3.23 0.74 -1.13 -1.69 119.66 123.88 3hxf s GLN 127 Ca 0.30 1.47 0.08 0.00 0.05 0.00 0.00 55.36 57.25 3hxf s GLN 127 Cb 0.20 -3.28 0.02 0.00 1.10 0.00 0.00 33.01 31.05 3hxf s GLN 127 CO 0.42 0.51 0.61 0.15 -0.55 0.00 0.00 175.29 176.43 3hxf s LYS 128 N -1.11 2.74 0.38 1.67 -0.14 0.21 -4.98 119.74 118.51 3hxf s LYS 128 Ca 0.41 -1.28 0.08 0.00 -1.36 0.00 0.00 55.97 53.82 3hxf s LYS 128 Cb -0.26 -2.73 0.82 0.00 -1.68 0.00 0.00 37.83 33.98 3hxf s LYS 128 CO 0.32 -0.38 1.97 0.93 -0.76 0.00 0.00 175.35 177.43 3hxf h GLU 129 N 0.54 0.64 -0.00 1.68 5.08 -1.97 -0.31 114.58 120.24 3hxf h GLU 129 Ca -0.39 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3hxf h GLU 129 Cb 1.28 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3hxf h GLU 129 CO 0.45 0.42 -0.00 -0.40 -1.00 0.00 0.00 179.01 178.48 3hxf n ASP 130 N -4.48 0.02 0.00 1.42 5.68 -1.26 -4.89 116.55 113.04 3hxf n ASP 130 Ca 0.10 -0.97 0.00 0.00 -0.50 0.00 0.00 54.79 53.41 3hxf n ASP 130 Cb 0.24 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 3hxf n ASP 130 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hxf n GLY 131 N 1.01 2.05 3.68 6.12 0.00 -0.13 -4.18 105.19 113.75 3hxf n GLY 131 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 3hxf n GLY 131 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hxf s SER 132 N -1.48 3.15 -0.05 1.61 1.04 -1.26 -3.93 113.70 112.78 3hxf s SER 132 Ca 0.00 1.81 0.05 0.00 0.48 0.00 0.00 55.95 58.30 3hxf s SER 132 Cb 0.00 -2.41 -0.02 0.00 0.10 0.00 0.00 66.02 63.69 3hxf s SER 132 CO 0.00 -2.89 -0.20 -0.36 0.98 0.00 0.00 173.24 170.76 3hxf s PHE 133 N -2.76 2.54 0.41 5.02 0.40 -1.26 0.66 117.98 122.99 3hxf s PHE 133 Ca 0.65 -0.43 -0.12 0.00 -0.60 0.00 0.00 56.93 56.44 3hxf s PHE 133 Cb -0.20 -1.60 -0.07 0.00 0.51 0.00 0.00 43.02 41.66 3hxf s PHE 133 CO 0.58 -0.02 0.79 0.00 0.70 0.00 0.00 175.22 177.28 3hxf s ALA 134 N -0.46 3.31 0.27 5.36 0.00 -0.68 -3.67 121.76 125.90 3hxf s ALA 134 Ca 0.05 -0.14 0.06 0.00 0.00 0.00 0.00 51.96 51.93 3hxf s ALA 134 Cb -0.12 -2.76 0.36 0.00 0.00 0.00 0.00 23.12 20.60 3hxf s ALA 134 CO 0.01 -0.02 1.63 0.78 0.00 0.00 0.00 175.76 178.17 3hxf h GLY 135 N 1.28 0.25 -0.25 0.00 0.00 -1.50 -3.47 103.07 99.38 3hxf h GLY 135 Ca -0.47 -0.27 0.02 0.00 0.00 0.00 0.00 47.33 46.61 3hxf h GLY 135 CO 0.64 0.24 0.10 2.09 0.00 0.00 0.00 176.54 179.60 3hxf n ASP 136 N -3.95 -0.36 0.06 0.19 5.68 -1.26 -1.08 116.55 115.84 3hxf n ASP 136 Ca -0.02 -1.21 0.06 0.00 -0.50 0.00 0.00 54.79 53.12 3hxf n ASP 136 Cb 0.55 0.59 0.28 0.00 -1.14 0.00 0.00 41.12 41.40 3hxf n ASP 136 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 3hxf n ILE 137 N -0.13 1.45 1.32 2.12 -5.35 -1.26 -2.21 119.36 115.30 3hxf n ILE 137 Ca -0.01 0.51 0.13 0.00 -0.27 0.00 0.00 62.75 63.12 3hxf n ILE 137 Cb 0.11 -1.47 0.47 0.00 -1.74 0.00 0.00 39.64 37.01 3hxf n ILE 137 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3hxf n TRP 138 N -1.81 0.00 -0.24 4.28 7.02 -1.26 -4.97 117.44 120.46 3hxf n TRP 138 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3hxf n TRP 138 Cb 0.06 -0.13 0.00 0.00 -2.42 0.00 0.00 31.31 28.82 3hxf n TRP 138 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hxf n GLY 139 N 1.30 0.83 3.69 6.99 0.00 -0.94 -5.03 105.19 112.04 3hxf n GLY 139 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3hxf n GLY 139 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hxf s GLU 140 N -0.76 4.19 -0.19 1.61 2.12 -1.26 -4.83 118.70 119.59 3hxf s GLU 140 Ca 0.00 2.35 -0.07 0.00 0.36 0.00 0.00 54.97 57.61 3hxf s GLU 140 Cb 0.00 -3.59 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 3hxf s GLU 140 CO 0.00 -0.74 0.05 0.42 -0.54 0.00 0.00 175.26 174.45 3hxf s ILE 141 N 2.60 4.60 -0.22 -3.70 -1.09 -1.26 -1.25 121.20 120.88 3hxf s ILE 141 Ca 0.74 -0.10 -0.18 0.00 -2.23 0.00 0.00 60.65 58.88 3hxf s ILE 141 Cb -0.40 -3.07 0.06 0.00 -1.58 0.00 0.00 42.46 37.47 3hxf s ILE 141 CO 0.32 0.45 0.58 -0.62 -1.23 0.00 0.00 174.94 174.45 3hxf s ASP 142 N 0.51 -0.66 0.65 3.58 -1.08 -1.24 -4.78 116.67 113.64 3hxf s ASP 142 Ca 0.02 1.21 0.37 0.00 -0.52 0.00 0.00 52.55 53.63 3hxf s ASP 142 Cb -0.13 1.18 2.05 0.00 -1.46 0.00 0.00 42.92 44.56 3hxf s ASP 142 CO 0.01 -0.21 2.20 0.71 0.52 0.00 0.00 175.17 178.40 3hxf h THR 143 N 4.53 0.11 -0.98 1.71 1.35 -1.03 0.59 112.91 119.18 3hxf h THR 143 Ca -0.30 0.00 0.16 0.00 -0.55 0.00 0.00 66.41 65.72 3hxf h THR 143 Cb 1.18 0.88 -0.09 0.00 -1.73 0.00 0.00 68.15 68.39 3hxf h THR 143 CO 0.16 0.00 0.61 0.03 -0.25 0.00 0.00 175.52 176.07 3hxf h ARG 144 N 0.00 0.78 0.00 4.72 3.08 -1.92 -2.17 114.38 118.87 3hxf h ARG 144 Ca 0.01 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.85 3hxf h ARG 144 Cb 0.27 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3hxf h ARG 144 CO -0.00 0.52 -0.81 0.74 -1.07 0.00 0.00 179.97 179.35 3hxf h PHE 145 N 0.81 0.00 -0.52 3.04 0.05 -1.17 -0.22 116.94 118.93 3hxf h PHE 145 Ca 0.53 0.00 -0.03 0.00 3.82 0.00 0.00 57.97 62.28 3hxf h PHE 145 Cb 0.76 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.68 3hxf h PHE 145 CO -0.00 0.81 0.20 0.77 -0.18 0.00 0.00 178.31 179.91 3hxf h SER 146 N 0.00 0.72 -0.13 2.17 0.02 -1.42 0.36 113.55 115.28 3hxf h SER 146 Ca -0.01 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.75 3hxf h SER 146 Cb 1.49 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.84 3hxf h SER 146 CO 0.10 0.70 0.01 0.15 -1.14 0.00 0.00 176.83 176.65 3hxf h PHE 147 N 0.70 0.24 -0.88 3.45 3.57 -1.24 -2.28 116.94 120.51 3hxf h PHE 147 Ca 0.17 -0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.74 3hxf h PHE 147 Cb 0.21 -0.06 -0.08 0.00 2.79 0.00 0.00 35.95 38.81 3hxf h PHE 147 CO 0.01 0.44 0.52 0.00 -2.23 0.00 0.00 178.31 177.05 3hxf h ALA 149 N 1.48 -0.25 -0.09 0.00 0.00 -0.79 -1.49 119.26 118.13 3hxf h ALA 149 Ca 0.43 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 55.09 3hxf h ALA 149 Cb 0.40 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3hxf h ALA 149 CO -0.25 -0.55 -0.51 -0.39 0.00 0.00 0.00 179.25 177.55 3hxf h VAL 150 N -0.43 1.35 -0.26 0.00 -1.51 -1.17 -1.31 116.25 112.92 3hxf h VAL 150 Ca -0.03 -1.76 -0.07 0.00 -1.23 0.00 0.00 66.70 63.62 3hxf h VAL 150 Cb 0.33 1.85 -0.01 0.00 -2.13 0.00 0.00 31.29 31.33 3hxf h VAL 150 CO 0.04 0.52 -0.10 0.00 -1.23 0.00 0.00 177.57 176.80 3hxf h ALA 151 N 1.28 0.36 0.28 5.19 0.00 -0.93 -0.16 119.26 125.28 3hxf h ALA 151 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3hxf h ALA 151 Cb 0.97 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3hxf h ALA 151 CO 0.08 0.21 -0.31 1.15 0.00 0.00 0.00 179.25 180.37 3hxf h THR 152 N 0.26 0.35 -0.95 0.00 2.02 -1.22 -2.13 112.91 111.23 3hxf h THR 152 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.24 3hxf h THR 152 Cb 0.60 0.35 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 3hxf h THR 152 CO 0.03 0.00 0.60 -0.07 0.37 0.00 0.00 175.52 176.45 3hxf h LEU 153 N -0.63 1.11 -0.68 2.58 3.38 -1.19 -2.75 115.31 117.13 3hxf h LEU 153 Ca -0.01 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 57.96 3hxf h LEU 153 Cb 0.59 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 3hxf h LEU 153 CO -0.08 0.83 0.39 0.00 0.09 0.00 0.00 178.44 179.67 3hxf h ALA 154 N 1.33 0.91 0.00 1.53 0.00 -0.97 0.16 119.26 122.22 3hxf h ALA 154 Ca 0.34 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 3hxf h ALA 154 Cb -0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3hxf h ALA 154 CO -0.07 0.09 -0.19 -0.07 0.00 0.00 0.00 179.25 179.01 3hxf h LEU 155 N 0.73 0.00 -0.51 0.00 3.38 -1.11 -2.35 115.31 115.45 3hxf h LEU 155 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3hxf h LEU 155 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3hxf h LEU 155 CO -0.17 0.19 -0.39 0.18 0.09 0.00 0.00 178.44 178.34 3hxf n LEU 156 N -3.82 1.19 -1.22 1.67 4.77 -0.88 -4.98 117.00 113.72 3hxf n LEU 156 Ca -0.02 -0.36 -0.10 0.00 -0.03 0.00 0.00 56.01 55.50 3hxf n LEU 156 Cb 0.29 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3hxf n LEU 156 CO 0.33 0.23 -0.12 0.61 -1.33 0.00 0.00 177.39 177.11 3hxf n GLY 157 N 1.39 -0.04 1.59 -0.72 0.00 -0.26 -4.96 105.19 102.20 3hxf n GLY 157 Ca 0.10 -0.44 -0.01 0.00 0.00 0.00 0.00 46.02 45.67 3hxf n GLY 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hxf n LYS 158 N -2.03 1.36 0.22 1.61 4.76 0.39 -4.80 118.16 119.68 3hxf n LYS 158 Ca -0.11 -3.01 0.10 0.00 -2.87 0.00 0.00 58.31 52.41 3hxf n LYS 158 Cb 0.59 -1.14 0.65 0.00 -1.84 0.00 0.00 35.03 33.30 3hxf n LYS 158 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3hxf h LEU 159 N 1.51 0.00 0.00 -0.35 6.46 -1.91 -1.56 115.31 119.46 3hxf h LEU 159 Ca -0.05 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 3hxf h LEU 159 Cb 1.46 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.39 3hxf h LEU 159 CO 0.19 0.00 0.00 -0.90 -0.62 0.00 0.00 178.44 177.11 3hxf n ASP 160 N -4.50 0.00 0.11 1.25 3.85 -1.26 -2.73 116.55 113.27 3hxf n ASP 160 Ca -0.01 -0.03 0.13 0.00 -0.71 0.00 0.00 54.79 54.16 3hxf n ASP 160 Cb 0.16 -0.16 0.43 0.00 -1.35 0.00 0.00 41.12 40.20 3hxf n ASP 160 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hxf n ALA 161 N -1.16 2.15 -2.49 2.12 0.00 -0.59 -4.85 120.51 115.69 3hxf n ALA 161 Ca 0.05 -0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.23 3hxf n ALA 161 Cb 0.05 -1.45 -0.08 0.00 0.00 0.00 0.00 19.45 17.97 3hxf n ALA 161 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3hxf s ILE 162 N -3.14 2.14 -0.68 0.00 -5.25 -1.10 -4.84 121.20 108.32 3hxf s ILE 162 Ca 0.09 -1.77 -0.25 0.00 -0.99 0.00 0.00 60.65 57.73 3hxf s ILE 162 Cb 0.12 -2.91 0.05 0.00 2.95 0.00 0.00 42.46 42.67 3hxf s ILE 162 CO 0.55 0.00 1.12 0.21 -1.79 0.00 0.00 174.94 175.03 3hxf s ASN 163 N -3.88 6.20 0.02 4.36 3.84 -1.26 -4.88 114.94 119.33 3hxf s ASN 163 Ca 0.37 -0.63 -0.17 0.00 0.21 0.00 0.00 52.86 52.65 3hxf s ASN 163 Cb 0.05 -2.49 -0.35 0.00 -0.55 0.00 0.00 41.25 37.91 3hxf s ASN 163 CO 0.20 -1.61 0.99 0.58 -2.79 0.00 0.00 177.10 174.48 3hxf h VAL 164 N 6.01 1.31 -0.72 -5.21 2.07 -1.94 -1.30 116.25 116.48 3hxf h VAL 164 Ca -0.28 -2.66 -0.05 0.00 0.82 0.00 0.00 66.70 64.53 3hxf h VAL 164 Cb 1.06 3.04 -0.03 0.00 -1.52 0.00 0.00 31.29 33.84 3hxf h VAL 164 CO 1.22 0.79 0.25 -0.08 0.02 0.00 0.00 177.57 179.77 3hxf h GLU 165 N 0.09 1.10 -0.60 1.57 4.57 -2.00 -0.83 114.58 118.48 3hxf h GLU 165 Ca -0.24 -0.22 -0.10 0.00 -1.18 0.00 0.00 59.36 57.62 3hxf h GLU 165 Cb 2.09 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 30.49 3hxf h GLU 165 CO 0.26 0.93 0.00 0.87 -1.18 0.00 0.00 179.01 179.89 3hxf h LYS 166 N 1.05 1.06 -0.85 1.92 1.79 -1.91 -0.24 116.57 119.38 3hxf h LYS 166 Ca 0.23 -0.33 0.05 0.00 -2.18 0.00 0.00 60.65 58.42 3hxf h LYS 166 Cb 0.27 -0.10 -0.06 0.00 -1.58 0.00 0.00 32.23 30.76 3hxf h LYS 166 CO -0.01 1.03 0.54 0.00 -1.08 0.00 0.00 179.45 179.92 3hxf h ALA 167 N 1.02 1.14 -0.31 3.86 0.00 -0.64 -1.68 119.26 122.65 3hxf h ALA 167 Ca 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3hxf h ALA 167 Cb 0.55 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3hxf h ALA 167 CO 0.03 0.33 0.14 0.82 0.00 0.00 0.00 179.25 180.57 3hxf h ILE 168 N 1.02 1.17 -0.99 0.00 2.04 -0.93 -2.15 117.51 117.66 3hxf h ILE 168 Ca 0.35 -0.48 0.02 0.00 1.00 0.00 0.00 64.86 65.75 3hxf h ILE 168 Cb 0.08 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 3hxf h ILE 168 CO -0.14 0.17 0.65 -0.08 0.00 0.00 0.00 178.15 178.75 3hxf h GLU 169 N 0.36 1.27 -0.14 2.37 4.81 -0.71 0.62 114.58 123.16 3hxf h GLU 169 Ca 0.11 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 3hxf h GLU 169 Cb 0.14 -0.29 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 3hxf h GLU 169 CO -0.01 0.84 -0.01 0.35 -0.73 0.00 0.00 179.01 179.45 3hxf h PHE 170 N 1.31 0.27 -0.53 0.92 3.57 -1.16 -1.77 116.94 119.55 3hxf h PHE 170 Ca 0.37 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.84 3hxf h PHE 170 Cb -0.11 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 3hxf h PHE 170 CO -0.00 0.49 0.34 0.28 -2.23 0.00 0.00 178.31 177.19 3hxf h VAL 171 N -0.03 1.09 -0.12 1.41 2.07 -0.94 -2.25 116.25 117.48 3hxf h VAL 171 Ca 0.04 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 3hxf h VAL 171 Cb 0.39 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3hxf h VAL 171 CO 0.01 0.12 -0.06 -0.07 0.02 0.00 0.00 177.57 177.59 3hxf h LEU 172 N 0.68 0.16 -0.84 2.57 3.38 -0.85 -1.32 115.31 119.08 3hxf h LEU 172 Ca 0.21 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3hxf h LEU 172 Cb -0.03 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3hxf h LEU 172 CO -0.07 0.25 0.00 -1.54 0.09 0.00 0.00 178.44 177.17 3hxf n SER 173 N -4.37 0.57 -0.73 -0.43 3.41 -0.67 -1.62 113.62 109.79 3hxf n SER 173 Ca -0.01 0.68 0.10 0.00 -0.26 0.00 0.00 58.87 59.38 3hxf n SER 173 Cb 0.20 -0.79 0.31 0.00 -0.26 0.00 0.00 64.21 63.67 3hxf n SER 173 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hxf s MET 175 N -1.67 4.70 0.49 0.00 0.00 -0.64 -2.99 119.30 119.19 3hxf s MET 175 Ca 0.33 1.33 0.05 0.00 0.00 0.00 0.00 55.69 57.41 3hxf s MET 175 Cb 0.18 -3.18 -0.00 0.00 0.00 0.00 0.00 34.83 31.83 3hxf s MET 175 CO 0.26 0.49 0.25 -0.80 0.00 0.00 0.00 175.02 175.22 3hxf s ASN 176 N -1.27 4.48 0.51 1.11 0.01 0.17 -4.98 114.94 114.98 3hxf s ASN 176 Ca 0.41 -1.26 0.19 0.00 -0.71 0.00 0.00 52.86 51.49 3hxf s ASN 176 Cb -0.23 0.13 1.27 0.00 0.41 0.00 0.00 41.25 42.83 3hxf s ASN 176 CO 0.28 -0.87 2.06 2.19 -1.51 0.00 0.00 177.10 179.25 3hxf h PHE 177 N 1.09 0.08 -0.33 2.20 -5.15 -1.97 -1.63 116.94 111.23 3hxf h PHE 177 Ca -0.40 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.37 3hxf h PHE 177 Cb 1.29 -0.03 0.00 0.00 0.22 0.00 0.00 35.95 37.43 3hxf h PHE 177 CO 0.97 0.04 0.00 -0.40 -2.00 0.00 0.00 178.31 176.92 3hxf n ASP 178 N -4.46 2.21 0.00 -0.68 5.68 -1.26 -4.93 116.55 113.11 3hxf n ASP 178 Ca 0.04 -1.90 0.00 0.00 -0.50 0.00 0.00 54.79 52.44 3hxf n ASP 178 Cb 0.35 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 3hxf n ASP 178 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hxf n GLY 179 N 1.20 1.70 0.00 6.12 0.00 -0.61 -4.30 105.19 109.31 3hxf n GLY 179 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3hxf n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hxf n GLY 180 N -2.00 0.27 3.04 -0.02 0.00 -1.26 -4.59 105.19 100.63 3hxf n GLY 180 Ca 0.00 -1.85 -0.12 0.00 0.00 0.00 0.00 46.02 44.05 3hxf n GLY 180 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hxf s PHE 181 N 0.20 -0.04 0.00 1.61 0.40 -1.26 0.44 117.98 119.33 3hxf s PHE 181 Ca 0.00 0.10 0.00 0.00 -0.60 0.00 0.00 56.93 56.43 3hxf s PHE 181 Cb 0.00 -0.01 0.00 0.00 0.51 0.00 0.00 43.02 43.52 3hxf s PHE 181 CO 0.00 -0.15 0.00 0.41 0.70 0.00 0.00 175.22 176.18 3hxf n GLY 182 N 2.35 3.75 0.17 4.36 0.00 -1.16 -2.56 105.19 112.09 3hxf n GLY 182 Ca -0.17 -2.19 -0.06 0.00 0.00 0.00 0.00 46.02 43.60 3hxf n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hxf s ARG 184 N -6.15 1.32 0.18 0.00 0.52 -1.26 -0.48 118.95 113.07 3hxf s ARG 184 Ca -0.13 -1.07 -0.33 0.00 -0.52 0.00 0.00 55.73 53.68 3hxf s ARG 184 Cb 0.12 0.45 -0.14 0.00 0.52 0.00 0.00 34.95 35.90 3hxf s ARG 184 CO 0.72 -0.53 1.54 -2.30 0.02 0.00 0.00 175.30 174.75 3hxf n PRO 185 N -0.29 2.14 0.00 3.54 -0.02 -1.26 -1.27 135.00 137.84 3hxf n PRO 185 Ca -0.07 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3hxf n PRO 185 Cb 0.63 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 3hxf n PRO 185 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hxf n GLY 186 N 3.09 1.80 3.79 -1.23 0.00 -1.26 -5.05 105.19 106.32 3hxf n GLY 186 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 3hxf n GLY 186 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hxf s SER 187 N -2.52 7.24 0.55 1.61 0.01 -0.40 -5.01 113.70 115.19 3hxf s SER 187 Ca 0.00 1.84 -0.20 0.00 1.31 0.00 0.00 55.95 58.89 3hxf s SER 187 Cb 0.00 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.61 3hxf s SER 187 CO 0.00 -0.14 1.25 -0.70 0.41 0.00 0.00 173.24 174.06 3hxf s GLU 188 N -2.23 3.15 0.34 12.44 2.12 -1.26 -3.76 118.70 129.50 3hxf s GLU 188 Ca 0.52 1.96 -0.29 0.00 0.36 0.00 0.00 54.97 57.53 3hxf s GLU 188 Cb -0.18 -2.12 -0.11 0.00 0.26 0.00 0.00 34.13 31.99 3hxf s GLU 188 CO 0.23 -1.10 1.39 -1.12 -0.54 0.00 0.00 175.26 174.12 3hxf s SER 189 N -1.33 6.59 -0.11 -1.70 0.01 -1.26 -3.98 113.70 111.92 3hxf s SER 189 Ca 0.73 2.83 -0.12 0.00 1.31 0.00 0.00 55.95 60.70 3hxf s SER 189 Cb -0.34 -2.65 0.03 0.00 0.21 0.00 0.00 66.02 63.27 3hxf s SER 189 CO 0.38 -0.68 0.32 -2.28 0.41 0.00 0.00 173.24 171.40 3hxf s HIS 190 N -1.02 -0.33 0.31 2.43 2.46 -1.06 -4.89 115.29 113.19 3hxf s HIS 190 Ca 0.51 0.79 0.03 0.00 0.47 0.00 0.00 55.06 56.86 3hxf s HIS 190 Cb -0.43 0.12 0.63 0.00 -0.13 0.00 0.00 32.58 32.77 3hxf s HIS 190 CO 0.56 -0.20 1.88 0.00 -2.47 0.00 0.00 174.74 174.50 3hxf h ALA 191 N 5.37 1.61 -0.31 1.58 0.00 -1.36 -1.33 119.26 124.83 3hxf h ALA 191 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3hxf h ALA 191 Cb 1.19 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3hxf h ALA 191 CO 0.31 0.18 0.20 0.78 0.00 0.00 0.00 179.25 180.73 3hxf h GLY 192 N 0.91 0.44 1.68 0.00 0.00 -1.91 -0.68 103.07 103.52 3hxf h GLY 192 Ca 0.44 -0.17 -0.12 0.00 0.00 0.00 0.00 47.33 47.48 3hxf h GLY 192 CO -0.20 0.17 -0.43 1.46 0.00 0.00 0.00 176.54 177.53 3hxf h GLN 193 N 0.42 0.35 -0.64 4.80 7.50 -1.71 -2.44 115.11 123.38 3hxf h GLN 193 Ca 0.11 -0.18 -0.04 0.00 0.50 0.00 0.00 58.65 59.05 3hxf h GLN 193 Cb -0.03 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.47 3hxf h GLN 193 CO -0.02 0.72 0.25 0.82 -1.50 0.00 0.00 178.83 179.10 3hxf h ILE 194 N 0.29 1.24 -0.09 2.54 2.04 -1.05 0.71 117.51 123.19 3hxf h ILE 194 Ca 0.02 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.14 3hxf h ILE 194 Cb 0.88 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3hxf h ILE 194 CO 0.07 0.29 0.06 0.22 0.00 0.00 0.00 178.15 178.79 3hxf h TYR 195 N 0.90 0.11 -0.51 1.37 3.20 -1.00 0.13 116.97 121.16 3hxf h TYR 195 Ca 0.21 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.10 3hxf h TYR 195 Cb 0.21 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 3hxf h TYR 195 CO 0.01 0.10 0.31 0.00 -1.64 0.00 0.00 178.16 176.94 3hxf h THR 198 N 0.44 1.27 -0.60 0.00 1.35 -0.67 -0.98 112.91 113.71 3hxf h THR 198 Ca -0.08 -1.37 0.02 0.00 -0.55 0.00 0.00 66.41 64.43 3hxf h THR 198 Cb 1.52 1.12 -0.04 0.00 -1.73 0.00 0.00 68.15 69.02 3hxf h THR 198 CO 0.17 0.47 0.38 1.23 -0.25 0.00 0.00 175.52 177.53 3hxf h GLY 199 N 0.89 0.86 0.56 5.82 0.00 -0.54 0.61 103.07 111.27 3hxf h GLY 199 Ca 0.11 -0.29 0.05 0.00 0.00 0.00 0.00 47.33 47.20 3hxf h GLY 199 CO 0.07 0.25 -0.01 -2.75 0.00 0.00 0.00 176.54 174.10 3hxf h PHE 200 N 0.75 -0.03 0.00 5.60 3.04 -0.88 -1.25 116.94 124.17 3hxf h PHE 200 Ca 0.24 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 62.13 3hxf h PHE 200 Cb -0.00 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.55 3hxf h PHE 200 CO -0.05 -0.05 -0.39 -0.07 -2.02 0.00 0.00 178.31 175.73 3hxf h LEU 201 N 0.07 0.00 0.22 0.59 3.38 -0.89 -0.59 115.31 118.08 3hxf h LEU 201 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3hxf h LEU 201 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3hxf h LEU 201 CO -0.23 0.39 -0.10 0.00 0.09 0.00 0.00 178.44 178.59 3hxf h ALA 202 N 1.61 -0.29 -0.83 1.53 0.00 -0.56 0.68 119.26 121.41 3hxf h ALA 202 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hxf h ALA 202 Cb 0.79 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 3hxf h ALA 202 CO 0.05 -0.64 0.53 0.82 0.00 0.00 0.00 179.25 180.01 3hxf h ILE 203 N -0.33 1.22 -0.36 0.00 2.04 -0.86 -2.08 117.51 117.14 3hxf h ILE 203 Ca -0.03 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.41 3hxf h ILE 203 Cb 0.25 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 3hxf h ILE 203 CO 0.05 0.22 0.00 0.35 0.00 0.00 0.00 178.15 178.76 3hxf n THR 204 N -4.40 0.47 -2.91 -0.27 -2.24 -0.26 -4.97 114.28 99.70 3hxf n THR 204 Ca 0.09 -0.58 -0.14 0.00 -2.27 0.00 0.00 64.05 61.15 3hxf n THR 204 Cb 0.04 0.53 0.03 0.00 -2.10 0.00 0.00 70.33 68.83 3hxf n THR 204 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3hxf n SER 205 N 0.90 -4.44 -0.20 3.42 7.64 -0.68 -4.94 113.62 115.31 3hxf n SER 205 Ca 0.17 -0.24 0.09 0.00 1.01 0.00 0.00 58.87 59.91 3hxf n SER 205 Cb 0.44 -3.19 0.16 0.00 -1.01 0.00 0.00 64.21 60.62 3hxf n SER 205 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hxf n GLN 206 N -2.92 1.38 0.31 1.43 1.13 0.15 -4.79 117.38 114.06 3hxf n GLN 206 Ca -0.04 -2.74 0.21 0.00 -1.94 0.00 0.00 57.00 52.49 3hxf n GLN 206 Cb 0.56 -1.53 1.02 0.00 0.11 0.00 0.00 30.24 30.40 3hxf n GLN 206 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3hxf h LEU 207 N 0.25 0.00 -1.55 1.08 3.38 -1.91 -0.98 115.31 115.59 3hxf h LEU 207 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hxf h LEU 207 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3hxf h LEU 207 CO 0.01 0.00 0.00 1.12 0.09 0.00 0.00 178.44 179.66 3hxf h HIS 208 N 0.00 0.00 -0.00 1.13 2.07 -1.93 -2.43 115.15 113.98 3hxf h HIS 208 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3hxf h HIS 208 Cb 0.16 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.14 3hxf h HIS 208 CO 0.00 0.00 -0.10 1.04 -3.07 0.00 0.00 177.93 175.80 3hxf n GLN 209 N -2.55 0.30 -3.10 5.12 6.02 -0.37 -4.84 117.38 117.96 3hxf n GLN 209 Ca -0.00 -0.06 -0.36 0.00 -0.01 0.00 0.00 57.00 56.56 3hxf n GLN 209 Cb 0.14 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.84 3hxf n GLN 209 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hxf s VAL 210 N -2.75 4.57 -0.83 5.09 1.01 -0.92 -5.01 120.40 121.57 3hxf s VAL 210 Ca 0.21 1.26 -0.19 0.00 0.00 0.00 0.00 61.98 63.27 3hxf s VAL 210 Cb 0.19 -3.84 0.13 0.00 0.00 0.00 0.00 36.38 32.87 3hxf s VAL 210 CO 0.52 0.17 1.00 0.21 0.00 0.00 0.00 175.10 177.00 3hxf s ASN 211 N -1.71 6.52 0.24 3.32 3.84 -1.26 -4.88 114.94 121.02 3hxf s ASN 211 Ca 0.44 -1.90 0.01 0.00 0.21 0.00 0.00 52.86 51.62 3hxf s ASN 211 Cb -0.16 -2.36 0.28 0.00 -0.55 0.00 0.00 41.25 38.46 3hxf s ASN 211 CO 0.21 -1.06 1.63 0.28 -2.79 0.00 0.00 177.10 175.36 3hxf h SER 212 N 8.84 0.50 -0.39 -4.21 0.02 -1.92 -0.59 113.55 115.81 3hxf h SER 212 Ca 0.03 -0.22 -0.13 0.00 -0.84 0.00 0.00 61.79 60.63 3hxf h SER 212 Cb 1.04 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 3hxf h SER 212 CO 1.07 0.85 -0.26 0.44 -1.14 0.00 0.00 176.83 177.79 3hxf h ASP 213 N 0.40 0.90 -0.05 3.07 3.45 -1.93 0.10 116.42 122.35 3hxf h ASP 213 Ca 0.04 -0.43 -0.03 0.00 0.43 0.00 0.00 57.03 57.04 3hxf h ASP 213 Cb 0.87 -0.25 -0.00 0.00 -0.56 0.00 0.00 39.33 39.39 3hxf h ASP 213 CO 0.07 1.14 -0.07 0.25 -1.57 0.00 0.00 179.24 179.06 3hxf h LEU 214 N 0.67 0.15 -0.57 1.55 5.85 -1.86 -2.08 115.31 119.02 3hxf h LEU 214 Ca 0.08 -0.53 -0.09 0.00 0.84 0.00 0.00 57.88 58.18 3hxf h LEU 214 Cb 0.84 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 3hxf h LEU 214 CO 0.07 0.65 -0.01 0.25 -0.34 0.00 0.00 178.44 179.06 3hxf h LEU 215 N -0.34 1.00 -1.20 2.25 5.85 -1.18 -1.93 115.31 119.76 3hxf h LEU 215 Ca 0.01 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.46 3hxf h LEU 215 Cb 0.61 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 3hxf h LEU 215 CO 0.02 1.07 0.56 1.23 -0.34 0.00 0.00 178.44 180.98 3hxf h GLY 216 N 0.90 1.22 0.85 3.75 0.00 -0.83 0.43 103.07 109.39 3hxf h GLY 216 Ca 0.16 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 3hxf h GLY 216 CO 0.03 0.32 0.02 -0.25 0.00 0.00 0.00 176.54 176.66 3hxf h TRP 217 N 1.01 0.06 -0.89 5.60 7.01 -0.96 -0.57 115.95 127.21 3hxf h TRP 217 Ca 0.36 -0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.43 3hxf h TRP 217 Cb 0.13 -0.02 -0.07 0.00 -2.10 0.00 0.00 29.16 27.10 3hxf h TRP 217 CO -0.00 0.20 0.54 2.35 -2.79 0.00 0.00 178.44 178.74 3hxf h TRP 218 N -0.10 1.00 -0.33 2.65 7.01 -0.81 -1.87 115.95 123.49 3hxf h TRP 218 Ca 0.01 0.03 -0.07 0.00 2.11 0.00 0.00 58.89 60.97 3hxf h TRP 218 Cb 0.17 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 26.90 3hxf h TRP 218 CO -0.02 0.46 -0.07 -0.07 -2.79 0.00 0.00 178.44 175.95 3hxf h LEU 219 N 0.94 0.63 -1.40 0.65 3.38 -0.78 -3.03 115.31 115.69 3hxf h LEU 219 Ca 0.41 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3hxf h LEU 219 Cb 0.28 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3hxf h LEU 219 CO -0.21 0.84 -0.18 0.00 0.09 0.00 0.00 178.44 178.98 3hxf n GLU 221 N -3.45 0.42 0.28 0.00 -0.58 -0.73 -2.07 120.64 114.51 3hxf n GLU 221 Ca -0.01 0.05 0.17 0.00 -0.42 0.00 0.00 57.16 56.96 3hxf n GLU 221 Cb 0.36 -1.50 0.69 0.00 -0.57 0.00 0.00 31.44 30.42 3hxf n GLU 221 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hxf h ARG 222 N 0.00 0.00 -6.19 3.49 2.47 -1.22 -3.44 114.38 109.48 3hxf h ARG 222 Ca 0.00 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 58.15 3hxf h ARG 222 Cb 0.18 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.45 3hxf h ARG 222 CO 0.00 0.01 0.89 -1.14 0.56 0.00 0.00 179.97 180.29 3hxf s GLN 223 N -3.68 4.15 0.53 0.04 0.74 -0.88 -1.48 119.66 119.08 3hxf s GLN 223 Ca 0.01 1.45 -0.01 0.00 0.05 0.00 0.00 55.36 56.87 3hxf s GLN 223 Cb 0.09 -3.76 0.02 0.00 1.10 0.00 0.00 33.01 30.46 3hxf s GLN 223 CO 0.55 -0.80 0.77 -0.51 -0.55 0.00 0.00 175.29 174.75 3hxf s LEU 224 N 3.64 3.36 0.46 3.68 1.43 0.56 -4.95 118.68 126.88 3hxf s LEU 224 Ca 0.52 0.23 0.16 0.00 -1.03 0.00 0.00 54.13 54.01 3hxf s LEU 224 Cb -0.18 -3.08 1.12 0.00 0.03 0.00 0.00 46.19 44.08 3hxf s LEU 224 CO 0.15 -1.01 2.01 -0.65 0.23 0.00 0.00 176.35 177.08 3hxf h PRO 225 N 0.10 0.27 -0.13 1.29 0.11 -1.95 0.21 132.00 131.90 3hxf h PRO 225 Ca -0.44 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.69 3hxf h PRO 225 Cb 1.28 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3hxf h PRO 225 CO 0.56 0.18 0.27 0.66 -0.21 0.00 0.00 178.00 179.46 3hxf h SER 226 N 0.28 0.00 0.00 -2.05 4.64 -1.95 -3.46 113.55 111.01 3hxf h SER 226 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3hxf h SER 226 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3hxf h SER 226 CO -0.05 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.52 3hxf n GLY 227 N -1.30 3.11 3.86 -0.77 0.00 0.74 -4.57 105.19 106.26 3hxf n GLY 227 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 3hxf n GLY 227 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hxf s GLY 228 N -2.83 1.66 -0.11 -0.02 0.00 -1.26 -3.66 107.32 101.11 3hxf s GLY 228 Ca 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 44.72 44.60 3hxf s GLY 228 CO 0.00 0.21 0.01 1.08 0.00 0.00 0.00 173.10 174.40 3hxf s LEU 229 N -5.29 3.61 0.59 0.66 1.43 -1.26 -0.32 118.68 118.09 3hxf s LEU 229 Ca 0.56 0.12 0.07 0.00 -1.03 0.00 0.00 54.13 53.86 3hxf s LEU 229 Cb -0.12 -1.84 0.09 0.00 0.03 0.00 0.00 46.19 44.35 3hxf s LEU 229 CO 0.54 0.33 0.81 0.54 0.23 0.00 0.00 176.35 178.80 3hxf s ASN 230 N -0.60 5.01 0.00 2.29 2.20 -0.55 -1.79 114.94 121.50 3hxf s ASN 230 Ca 0.10 -0.69 0.19 0.00 -0.94 0.00 0.00 52.86 51.52 3hxf s ASN 230 Cb -0.12 0.11 -0.17 0.00 -2.00 0.00 0.00 41.25 39.07 3hxf s ASN 230 CO 0.02 -1.38 0.83 0.61 -2.94 0.00 0.00 177.10 174.24 3hxf n GLY 231 N -2.32 -0.66 3.58 0.45 0.00 -1.26 -4.82 105.19 100.15 3hxf n GLY 231 Ca 0.15 -0.54 -0.06 0.00 0.00 0.00 0.00 46.02 45.57 3hxf n GLY 231 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hxf s ARG 232 N -2.70 0.74 0.35 1.61 1.70 -1.26 -0.92 118.95 118.47 3hxf s ARG 232 Ca 0.09 -0.32 -0.27 0.00 -0.47 0.00 0.00 55.73 54.76 3hxf s ARG 232 Cb 0.15 0.31 -0.12 0.00 -0.57 0.00 0.00 34.95 34.71 3hxf s ARG 232 CO 0.73 -0.33 1.11 -2.30 -1.08 0.00 0.00 175.30 173.43 3hxf n PRO 233 N -0.28 1.62 -1.71 3.89 -0.02 -1.26 -2.82 135.00 134.42 3hxf n PRO 233 Ca -0.06 0.57 -0.12 0.00 -2.02 0.00 0.00 63.50 61.86 3hxf n PRO 233 Cb 0.61 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 31.99 3hxf n PRO 233 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3hxf n GLU 234 N 0.49 -0.90 -4.01 -0.52 -0.58 -1.26 -5.02 120.64 108.84 3hxf n GLU 234 Ca 0.08 0.80 -0.23 0.00 -0.42 0.00 0.00 57.16 57.38 3hxf n GLU 234 Cb 0.35 -4.88 -0.06 0.00 -0.57 0.00 0.00 31.44 26.29 3hxf n GLU 234 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3hxf s LYS 235 N -3.67 2.38 0.43 3.49 -0.14 -1.13 -4.88 119.74 116.22 3hxf s LYS 235 Ca 0.00 -1.61 -0.22 0.00 -1.36 0.00 0.00 55.97 52.78 3hxf s LYS 235 Cb 0.00 -2.17 -0.09 0.00 -1.68 0.00 0.00 37.83 33.89 3hxf s LYS 235 CO 0.00 0.01 1.03 -0.51 -0.76 0.00 0.00 175.35 175.12 3hxf s LEU 236 N -3.91 4.01 0.79 3.17 2.01 -1.26 -4.78 118.68 118.72 3hxf s LEU 236 Ca 0.40 1.96 -0.10 0.00 0.01 0.00 0.00 54.13 56.40 3hxf s LEU 236 Cb -0.01 -4.36 0.07 0.00 0.01 0.00 0.00 46.19 41.90 3hxf s LEU 236 CO 0.24 -0.58 1.10 -2.16 1.01 0.00 0.00 176.35 175.95 3hxf s PRO 237 N -2.83 2.09 -0.21 1.29 0.04 -1.26 -4.56 135.00 129.55 3hxf s PRO 237 Ca 0.62 1.21 -0.17 0.00 0.04 0.00 0.00 61.00 62.69 3hxf s PRO 237 Cb -0.19 -1.87 0.06 0.00 0.04 0.00 0.00 34.50 32.54 3hxf s PRO 237 CO 0.23 -1.78 0.55 0.34 0.04 0.00 0.00 177.00 176.39 3hxf s ASP 238 N -3.31 -0.61 0.59 6.66 -1.08 -0.74 -4.81 116.67 113.37 3hxf s ASP 238 Ca 0.62 1.13 0.35 0.00 -0.52 0.00 0.00 52.55 54.14 3hxf s ASP 238 Cb -0.18 1.11 1.86 0.00 -1.46 0.00 0.00 42.92 44.26 3hxf s ASP 238 CO 0.56 -0.20 2.20 1.62 0.52 0.00 0.00 175.17 179.87 3hxf h VAL 239 N 4.54 0.25 0.00 1.11 3.04 -1.22 0.84 116.25 124.82 3hxf h VAL 239 Ca -0.29 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 3hxf h VAL 239 Cb 1.18 1.20 0.00 0.00 -2.01 0.00 0.00 31.29 31.66 3hxf h VAL 239 CO 0.18 0.04 0.00 0.00 -1.01 0.00 0.00 177.57 176.77 3hxf h TYR 241 N 0.00 0.00 -0.13 0.00 0.05 -1.08 0.36 116.97 116.17 3hxf h TYR 241 Ca 0.00 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.82 3hxf h TYR 241 Cb 0.54 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.28 3hxf h TYR 241 CO 0.00 0.00 0.16 0.77 -1.05 0.00 0.00 178.16 178.04 3hxf h SER 242 N 0.00 0.00 0.00 3.88 0.02 -1.19 -0.54 113.55 115.71 3hxf h SER 242 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hxf h SER 242 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 3hxf h SER 242 CO 0.00 0.00 -0.18 -0.25 -1.14 0.00 0.00 176.83 175.26 3hxf h TRP 243 N 0.00 0.00 -0.48 3.45 2.91 -1.09 -3.32 115.95 117.41 3hxf h TRP 243 Ca 0.06 0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.14 3hxf h TRP 243 Cb 0.38 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 28.98 3hxf h TRP 243 CO 0.00 0.00 0.20 -1.49 -1.03 0.00 0.00 178.44 176.12 3hxf h TRP 244 N -0.48 0.36 0.01 2.65 4.06 -1.17 0.13 115.95 121.52 3hxf h TRP 244 Ca 0.00 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.97 3hxf h TRP 244 Cb 0.18 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 28.25 3hxf h TRP 244 CO -0.08 0.15 -0.01 0.28 -3.56 0.00 0.00 178.44 175.23 3hxf h VAL 245 N 0.40 1.46 -0.46 1.49 2.07 -1.37 -2.93 116.25 116.90 3hxf h VAL 245 Ca 0.22 -1.45 -0.07 0.00 0.82 0.00 0.00 66.70 66.23 3hxf h VAL 245 Cb 0.19 2.43 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 3hxf h VAL 245 CO -0.20 0.37 0.03 0.25 0.02 0.00 0.00 177.57 178.04 3hxf h LEU 246 N -0.64 0.77 -0.71 2.57 5.85 -1.51 -0.86 115.31 120.78 3hxf h LEU 246 Ca -0.00 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.44 3hxf h LEU 246 Cb 0.62 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 3hxf h LEU 246 CO 0.00 0.87 0.46 0.00 -0.34 0.00 0.00 178.44 179.43 3hxf h ALA 247 N 0.93 0.90 -0.30 1.25 0.00 -0.86 0.21 119.26 121.39 3hxf h ALA 247 Ca 0.13 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hxf h ALA 247 Cb 0.46 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3hxf h ALA 247 CO 0.02 0.29 0.18 0.77 0.00 0.00 0.00 179.25 180.50 3hxf h SER 248 N 0.93 0.36 -0.88 0.00 0.02 -1.28 0.71 113.55 113.41 3hxf h SER 248 Ca 0.27 -0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.21 3hxf h SER 248 Cb -0.07 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.32 3hxf h SER 248 CO -0.07 0.32 0.56 -0.07 -1.14 0.00 0.00 176.83 176.42 3hxf h LEU 249 N 0.38 0.88 -0.58 5.07 3.38 -0.81 -1.88 115.31 121.75 3hxf h LEU 249 Ca 0.11 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 3hxf h LEU 249 Cb 0.02 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3hxf h LEU 249 CO -0.02 0.57 0.16 0.50 0.09 0.00 0.00 178.44 179.74 3hxf h LYS 250 N 1.02 0.92 -0.84 1.13 1.63 -0.43 -0.03 116.57 119.97 3hxf h LYS 250 Ca 0.38 -0.21 0.11 0.00 -0.85 0.00 0.00 60.65 60.08 3hxf h LYS 250 Cb 0.15 -0.12 -0.08 0.00 -0.60 0.00 0.00 32.23 31.57 3hxf h LYS 250 CO -0.17 0.84 0.47 0.82 -3.45 0.00 0.00 179.45 177.96 3hxf h ILE 251 N 0.83 0.86 -0.45 2.00 2.04 -0.54 -1.97 117.51 120.27 3hxf h ILE 251 Ca 0.18 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3hxf h ILE 251 Cb 0.32 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 3hxf h ILE 251 CO -0.00 0.14 0.00 2.30 0.00 0.00 0.00 178.15 180.59 3hxf n ILE 252 N -4.77 0.93 -1.96 -0.67 -5.35 -0.74 -0.82 119.36 105.97 3hxf n ILE 252 Ca 0.15 -0.70 -0.10 0.00 -0.27 0.00 0.00 62.75 61.82 3hxf n ILE 252 Cb 0.33 0.14 -0.01 0.00 -1.74 0.00 0.00 39.64 38.36 3hxf n ILE 252 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hxf n GLY 253 N 1.04 0.26 0.53 3.28 0.00 -0.74 -4.75 105.19 104.81 3hxf n GLY 253 Ca 0.16 -0.49 0.06 0.00 0.00 0.00 0.00 46.02 45.75 3hxf n GLY 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hxf n ARG 254 N -2.17 0.81 0.22 1.61 5.12 -0.09 -4.83 116.66 117.33 3hxf n ARG 254 Ca -0.12 -2.24 0.12 0.00 -1.93 0.00 0.00 57.85 53.69 3hxf n ARG 254 Cb 0.53 -1.02 0.72 0.00 -1.16 0.00 0.00 32.46 31.52 3hxf n ARG 254 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3hxf h LEU 255 N 0.38 0.00 0.00 0.55 5.85 -1.86 -1.25 115.31 118.98 3hxf h LEU 255 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 3hxf h LEU 255 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 3hxf h LEU 255 CO 0.02 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.12 3hxf n HIS 256 N -4.32 0.00 1.14 1.25 1.44 -1.26 -2.77 115.22 110.70 3hxf n HIS 256 Ca -0.01 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.85 3hxf n HIS 256 Cb 0.19 -0.25 0.66 0.00 0.12 0.00 0.00 29.99 30.71 3hxf n HIS 256 CO 0.00 0.00 0.00 0.91 -2.81 0.00 0.00 176.34 174.44 3hxf n TRP 257 N -1.25 0.00 -3.92 -1.40 7.02 -0.47 -4.76 117.44 112.66 3hxf n TRP 257 Ca 0.08 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.35 3hxf n TRP 257 Cb 0.12 -0.42 -0.03 0.00 -2.42 0.00 0.00 31.31 28.55 3hxf n TRP 257 CO 0.00 0.00 0.00 0.96 -2.02 0.00 0.00 177.69 176.63 3hxf s ILE 258 N -2.85 4.53 -0.67 -0.99 -5.25 -1.12 -4.86 121.20 110.00 3hxf s ILE 258 Ca 0.19 -1.20 -0.26 0.00 -0.99 0.00 0.00 60.65 58.39 3hxf s ILE 258 Cb 0.19 -3.53 0.04 0.00 2.95 0.00 0.00 42.46 42.12 3hxf s ILE 258 CO 0.50 -0.29 1.15 -0.62 -1.79 0.00 0.00 174.94 173.89 3hxf s ASP 259 N -3.96 6.24 0.29 4.36 -1.08 -1.26 -4.90 116.67 116.36 3hxf s ASP 259 Ca 0.36 -0.45 0.05 0.00 -0.52 0.00 0.00 52.55 51.99 3hxf s ASP 259 Cb -0.08 -2.51 0.44 0.00 -1.46 0.00 0.00 42.92 39.31 3hxf s ASP 259 CO 0.27 -1.60 1.71 0.08 0.52 0.00 0.00 175.17 176.16 3hxf h ARG 260 N 9.74 0.35 -0.45 4.34 0.11 -1.92 -2.06 114.38 124.48 3hxf h ARG 260 Ca -0.27 -0.15 -0.13 0.00 0.10 0.00 0.00 59.98 59.53 3hxf h ARG 260 Cb 1.06 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.11 3hxf h ARG 260 CO 1.21 0.65 -0.24 0.93 0.10 0.00 0.00 179.97 182.63 3hxf h GLU 261 N 0.30 0.94 -0.56 0.08 4.39 -1.99 0.13 114.58 117.87 3hxf h GLU 261 Ca 0.04 -0.41 -0.09 0.00 0.34 0.00 0.00 59.36 59.24 3hxf h GLU 261 Cb 0.74 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.34 3hxf h GLU 261 CO 0.06 1.07 -0.00 0.87 -1.16 0.00 0.00 179.01 179.85 3hxf h LYS 262 N 0.81 1.00 -0.29 2.33 1.57 -1.88 -1.45 116.57 118.65 3hxf h LYS 262 Ca 0.10 -0.32 -0.13 0.00 -1.87 0.00 0.00 60.65 58.43 3hxf h LYS 262 Cb 0.81 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 3hxf h LYS 262 CO 0.07 1.00 -0.32 1.25 -0.57 0.00 0.00 179.45 180.87 3hxf h LEU 263 N 0.89 0.78 -0.58 2.94 5.85 -1.24 -1.53 115.31 122.43 3hxf h LEU 263 Ca 0.16 -0.48 0.06 0.00 0.84 0.00 0.00 57.88 58.45 3hxf h LEU 263 Cb 0.55 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 3hxf h LEU 263 CO 0.03 1.11 0.29 -0.09 -0.34 0.00 0.00 178.44 179.44 3hxf h ARG 264 N 0.47 0.53 -0.66 1.25 2.43 -0.56 -0.74 114.38 117.10 3hxf h ARG 264 Ca 0.04 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3hxf h ARG 264 Cb 0.90 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 3hxf h ARG 264 CO 0.08 0.35 0.44 0.77 -1.51 0.00 0.00 179.97 180.10 3hxf h SER 265 N 0.55 0.76 -0.26 -3.80 0.02 -1.15 -1.41 113.55 108.26 3hxf h SER 265 Ca 0.26 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.13 3hxf h SER 265 Cb 0.19 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3hxf h SER 265 CO -0.19 0.55 -0.07 0.15 -1.14 0.00 0.00 176.83 176.13 3hxf h PHE 266 N 0.90 0.57 -0.43 3.45 3.57 -0.44 -2.16 116.94 122.40 3hxf h PHE 266 Ca 0.24 -0.12 0.01 0.00 3.53 0.00 0.00 57.97 61.62 3hxf h PHE 266 Cb -0.10 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.48 3hxf h PHE 266 CO 0.00 0.72 0.28 0.82 -2.23 0.00 0.00 178.31 177.90 3hxf h ILE 267 N 0.24 1.09 -0.40 1.41 2.04 -0.83 -1.91 117.51 119.16 3hxf h ILE 267 Ca 0.06 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 3hxf h ILE 267 Cb 0.55 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3hxf h ILE 267 CO 0.03 0.10 0.18 -0.07 0.00 0.00 0.00 178.15 178.39 3hxf h LEU 268 N 0.56 0.50 -1.55 1.44 3.38 -1.23 -1.95 115.31 116.45 3hxf h LEU 268 Ca 0.16 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3hxf h LEU 268 Cb -0.05 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3hxf h LEU 268 CO -0.04 0.44 0.00 0.00 0.09 0.00 0.00 178.44 178.92 3hxf h ALA 269 N 1.64 1.00 0.00 1.53 0.00 -0.67 -2.05 119.26 120.72 3hxf h ALA 269 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hxf h ALA 269 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hxf h ALA 269 CO -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 179.25 179.06 3hxf s GLN 271 N -3.01 3.41 -0.45 0.00 -0.21 -0.77 -1.32 119.66 117.32 3hxf s GLN 271 Ca 0.13 1.91 -0.16 0.00 0.02 0.00 0.00 55.36 57.26 3hxf s GLN 271 Cb 0.18 -2.26 0.04 0.00 1.00 0.00 0.00 33.01 31.98 3hxf s GLN 271 CO 0.59 -0.87 0.42 0.34 -2.12 0.00 0.00 175.29 173.64 3hxf s ASP 272 N -1.30 6.16 0.57 5.90 3.68 -0.54 -4.77 116.67 126.37 3hxf s ASP 272 Ca 0.69 -0.97 0.38 0.00 2.13 0.00 0.00 52.55 54.77 3hxf s ASP 272 Cb -0.32 -2.20 1.90 0.00 -1.45 0.00 0.00 42.92 40.85 3hxf s ASP 272 CO 0.38 -0.62 2.15 1.05 0.13 0.00 0.00 175.17 178.26 3hxf h GLU 273 N 8.75 0.00 0.04 4.34 4.11 -1.90 -0.25 114.58 129.68 3hxf h GLU 273 Ca -0.27 0.00 -0.37 0.00 0.07 0.00 0.00 59.36 58.79 3hxf h GLU 273 Cb 1.11 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.32 3hxf h GLU 273 CO 0.83 0.00 -2.12 0.39 0.07 0.00 0.00 179.01 178.18 3hxf n GLU 274 N -2.95 0.67 0.08 1.06 1.02 -1.26 -4.51 120.64 114.75 3hxf n GLU 274 Ca -0.01 0.28 0.11 0.00 -0.02 0.00 0.00 57.16 57.51 3hxf n GLU 274 Cb 0.15 -1.62 -0.04 0.00 -0.02 0.00 0.00 31.44 29.91 3hxf n GLU 274 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3hxf n THR 275 N -3.69 0.51 -0.21 2.62 -2.24 -1.23 -5.10 114.28 104.94 3hxf n THR 275 Ca -0.40 -0.54 0.03 0.00 -2.27 0.00 0.00 64.05 60.86 3hxf n THR 275 Cb 0.94 -0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 68.89 3hxf n THR 275 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hxf n GLY 276 N 1.21 -1.58 0.00 3.38 0.00 -0.10 -4.49 105.19 103.60 3hxf n GLY 276 Ca -0.01 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.54 3hxf n GLY 276 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hxf n GLY 277 N -1.88 -0.71 3.45 -0.02 0.00 -1.26 -4.45 105.19 100.31 3hxf n GLY 277 Ca -0.00 -1.63 -0.29 0.00 0.00 0.00 0.00 46.02 44.10 3hxf n GLY 277 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hxf s PHE 278 N -2.94 2.46 0.41 1.61 0.40 -1.26 -1.47 117.98 117.19 3hxf s PHE 278 Ca 0.00 -0.30 0.08 0.00 -0.60 0.00 0.00 56.93 56.10 3hxf s PHE 278 Cb 0.00 -1.32 -0.03 0.00 0.51 0.00 0.00 43.02 42.18 3hxf s PHE 278 CO 0.00 0.36 0.30 0.00 0.70 0.00 0.00 175.22 176.58 3hxf s ALA 279 N -1.11 3.87 0.26 5.36 0.00 -0.43 -2.19 121.76 127.52 3hxf s ALA 279 Ca 0.16 -1.98 -0.04 0.00 0.00 0.00 0.00 51.96 50.10 3hxf s ALA 279 Cb -0.10 -0.75 0.31 0.00 0.00 0.00 0.00 23.12 22.57 3hxf s ALA 279 CO 0.08 -0.20 1.83 0.38 0.00 0.00 0.00 175.76 177.86 3hxf h ASP 280 N 1.19 0.94 -4.93 0.00 -0.00 -1.89 -3.42 116.42 108.32 3hxf h ASP 280 Ca -0.42 -0.13 -0.17 0.00 -0.00 0.00 0.00 57.03 56.30 3hxf h ASP 280 Cb 1.26 -0.24 -0.15 0.00 -0.00 0.00 0.00 39.33 40.19 3hxf h ASP 280 CO 0.63 0.84 -0.69 -0.13 -0.00 0.00 0.00 179.24 179.88 3hxf s ARG 281 N -5.48 0.69 0.20 4.15 0.52 -1.26 -0.81 118.95 116.96 3hxf s ARG 281 Ca -0.11 -1.23 -0.33 0.00 -0.52 0.00 0.00 55.73 53.55 3hxf s ARG 281 Cb 0.16 0.00 -0.13 0.00 0.52 0.00 0.00 34.95 35.50 3hxf s ARG 281 CO 0.82 -0.06 1.53 -2.30 0.02 0.00 0.00 175.30 175.31 3hxf n PRO 282 N 0.16 2.20 -0.51 3.54 -0.02 -1.26 -1.40 135.00 137.70 3hxf n PRO 282 Ca -0.14 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3hxf n PRO 282 Cb 0.60 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3hxf n PRO 282 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hxf n GLY 283 N 2.94 1.39 3.93 -1.23 0.00 -1.26 -5.03 105.19 105.92 3hxf n GLY 283 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 3hxf n GLY 283 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hxf s ASP 284 N -3.19 4.82 0.18 1.61 -0.00 -0.49 -5.02 116.67 114.58 3hxf s ASP 284 Ca 0.00 0.49 -0.31 0.00 -0.00 0.00 0.00 52.55 52.73 3hxf s ASP 284 Cb 0.00 -1.14 -0.09 0.00 -0.00 0.00 0.00 42.92 41.69 3hxf s ASP 284 CO 0.00 -1.60 1.41 -0.32 -0.00 0.00 0.00 175.17 174.66 3hxf s MET 285 N -5.26 4.31 0.79 8.23 -2.45 -1.26 -4.66 119.30 118.99 3hxf s MET 285 Ca 0.60 2.18 -0.11 0.00 -1.25 0.00 0.00 55.69 57.11 3hxf s MET 285 Cb -0.11 -3.18 0.06 0.00 1.25 0.00 0.00 34.83 32.86 3hxf s MET 285 CO 0.45 -0.41 1.09 0.14 1.05 0.00 0.00 175.02 177.34 3hxf s VAL 286 N 0.52 3.20 0.17 10.11 -7.23 -1.26 -4.47 120.40 121.44 3hxf s VAL 286 Ca 0.62 0.39 -0.19 0.00 -1.81 0.00 0.00 61.98 60.99 3hxf s VAL 286 Cb -0.39 -3.11 0.04 0.00 0.56 0.00 0.00 36.38 33.48 3hxf s VAL 286 CO 0.36 -0.51 0.53 1.51 -0.31 0.00 0.00 175.10 176.68 3hxf s ASP 287 N -3.84 -0.36 0.49 4.85 1.47 -0.93 -4.93 116.67 113.41 3hxf s ASP 287 Ca 0.60 -0.28 0.14 0.00 1.18 0.00 0.00 52.55 54.19 3hxf s ASP 287 Cb -0.15 0.57 1.15 0.00 -0.34 0.00 0.00 42.92 44.15 3hxf s ASP 287 CO 0.55 -0.99 2.11 -0.65 0.68 0.00 0.00 175.17 176.87 3hxf h PRO 288 N 2.16 0.12 0.41 2.11 0.11 -1.98 -2.17 132.00 132.76 3hxf h PRO 288 Ca -0.31 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.77 3hxf h PRO 288 Cb 1.28 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3hxf h PRO 288 CO 0.39 0.10 -0.20 0.35 -0.21 0.00 0.00 178.00 178.44 3hxf h PHE 289 N 0.12 -0.51 0.00 0.65 3.04 -1.94 -1.20 116.94 117.10 3hxf h PHE 289 Ca 0.03 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.97 3hxf h PHE 289 Cb 0.02 0.17 -0.00 0.00 2.56 0.00 0.00 35.95 38.70 3hxf h PHE 289 CO 0.00 -0.29 -0.01 0.45 -2.02 0.00 0.00 178.31 176.44 3hxf h HIS 290 N -0.59 0.00 -0.05 0.41 3.86 -1.74 -2.46 115.15 114.57 3hxf h HIS 290 Ca -0.06 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.13 3hxf h HIS 290 Cb 0.45 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.92 3hxf h HIS 290 CO -0.04 0.01 -0.07 1.15 0.86 0.00 0.00 177.93 179.85 3hxf h THR 291 N 0.00 1.40 0.09 2.45 2.02 -1.20 -0.18 112.91 117.49 3hxf h THR 291 Ca -0.00 -1.31 0.02 0.00 0.77 0.00 0.00 66.41 65.88 3hxf h THR 291 Cb 0.59 2.17 -0.03 0.00 -1.74 0.00 0.00 68.15 69.14 3hxf h THR 291 CO 0.00 0.36 -0.20 0.25 0.37 0.00 0.00 175.52 176.30 3hxf h LEU 292 N -0.35 -0.56 -0.84 2.58 5.85 -1.06 -2.10 115.31 118.83 3hxf h LEU 292 Ca 0.00 0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 3hxf h LEU 292 Cb 0.61 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 3hxf h LEU 292 CO 0.02 -0.28 -0.44 -0.26 -0.34 0.00 0.00 178.44 177.14 3hxf h PHE 293 N -0.37 0.00 0.07 1.25 0.04 -1.41 0.59 116.94 117.11 3hxf h PHE 293 Ca 0.03 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 3hxf h PHE 293 Cb 0.40 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.55 3hxf h PHE 293 CO -0.20 0.44 -0.03 0.78 -0.60 0.00 0.00 178.31 178.70 3hxf h GLY 294 N 2.11 -0.10 1.26 -1.45 0.00 -1.02 -0.22 103.07 103.66 3hxf h GLY 294 Ca -0.00 0.04 -0.14 0.00 0.00 0.00 0.00 47.33 47.22 3hxf h GLY 294 CO 0.06 -0.04 -0.32 -2.22 0.00 0.00 0.00 176.54 174.02 3hxf h ILE 295 N -0.15 1.28 -0.38 2.60 1.08 -0.98 -2.09 117.51 118.86 3hxf h ILE 295 Ca -0.01 -1.47 -0.12 0.00 -0.39 0.00 0.00 64.86 62.86 3hxf h ILE 295 Cb 0.12 1.33 -0.01 0.00 -3.07 0.00 0.00 36.82 35.19 3hxf h ILE 295 CO 0.02 0.49 -0.25 0.00 -0.69 0.00 0.00 178.15 177.71 3hxf h ALA 296 N 0.94 0.83 -0.42 1.87 0.00 -0.91 -0.98 119.26 120.60 3hxf h ALA 296 Ca 0.07 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3hxf h ALA 296 Cb 0.87 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3hxf h ALA 296 CO 0.08 0.64 0.24 0.78 0.00 0.00 0.00 179.25 180.99 3hxf h GLY 297 N 0.95 0.63 0.66 0.00 0.00 -0.80 -1.70 103.07 102.80 3hxf h GLY 297 Ca 0.09 -0.28 0.08 0.00 0.00 0.00 0.00 47.33 47.22 3hxf h GLY 297 CO 0.06 0.27 0.61 1.41 0.00 0.00 0.00 176.54 178.89 3hxf h LEU 298 N 0.55 0.94 -0.43 3.11 3.38 -1.15 -1.71 115.31 120.01 3hxf h LEU 298 Ca 0.15 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3hxf h LEU 298 Cb 0.04 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3hxf h LEU 298 CO -0.03 0.57 0.16 -1.28 0.09 0.00 0.00 178.44 177.96 3hxf h SER 299 N 1.06 0.61 -0.92 -0.43 0.87 -0.89 -1.61 113.55 112.24 3hxf h SER 299 Ca 0.43 -0.18 0.12 0.00 -1.23 0.00 0.00 61.79 60.93 3hxf h SER 299 Cb 0.26 -0.16 -0.07 0.00 -0.44 0.00 0.00 62.40 61.99 3hxf h SER 299 CO -0.20 0.62 0.59 -0.07 -0.53 0.00 0.00 176.83 177.24 3hxf h LEU 300 N 0.56 0.78 0.00 2.23 3.38 -0.84 -0.32 115.31 121.10 3hxf h LEU 300 Ca 0.14 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3hxf h LEU 300 Cb 0.21 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3hxf h LEU 300 CO -0.01 0.42 0.00 0.18 0.09 0.00 0.00 178.44 179.12 3hxf n LEU 301 N -4.57 0.00 -0.00 1.67 4.77 -0.69 -4.90 117.00 113.28 3hxf n LEU 301 Ca 0.17 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 3hxf n LEU 301 Cb 0.38 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3hxf n LEU 301 CO 0.29 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 3hxf n GLY 302 N 1.11 1.86 3.64 -0.72 0.00 -0.13 -5.05 105.19 105.91 3hxf n GLY 302 Ca 0.14 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 3hxf n GLY 302 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hxf s GLU 303 N -1.01 4.04 0.49 1.61 2.56 -0.69 -4.92 118.70 120.78 3hxf s GLU 303 Ca 0.00 1.63 0.19 0.00 0.00 0.00 0.00 54.97 56.79 3hxf s GLU 303 Cb 0.00 -3.89 1.23 0.00 2.00 0.00 0.00 34.13 33.47 3hxf s GLU 303 CO 0.00 -0.98 2.06 1.05 -0.56 0.00 0.00 175.26 176.83 3hxf h GLU 304 N 9.29 0.00 0.00 4.30 4.11 -1.96 -2.37 114.58 127.96 3hxf h GLU 304 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.13 3hxf h GLU 304 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3hxf h GLU 304 CO 0.99 0.13 0.00 1.04 0.07 0.00 0.00 179.01 181.24 3hxf n GLN 305 N -4.13 0.78 -5.06 1.06 6.02 -1.26 -4.79 117.38 110.00 3hxf n GLN 305 Ca -0.02 0.01 -0.32 0.00 -0.01 0.00 0.00 57.00 56.65 3hxf n GLN 305 Cb 0.21 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 29.82 3hxf n GLN 305 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3hxf s ILE 306 N -2.08 2.63 0.56 5.09 1.01 -0.89 -4.84 121.20 122.68 3hxf s ILE 306 Ca 0.39 -0.88 -0.20 0.00 0.00 0.00 0.00 60.65 59.95 3hxf s ILE 306 Cb 0.19 -1.99 -0.05 0.00 0.01 0.00 0.00 42.46 40.62 3hxf s ILE 306 CO 0.33 0.58 1.23 -0.54 0.00 0.00 0.00 174.94 176.54 3hxf s LYS 307 N -0.61 3.15 0.37 2.79 1.02 -0.51 -4.83 119.74 121.12 3hxf s LYS 307 Ca 0.09 1.91 -0.28 0.00 0.02 0.00 0.00 55.97 57.71 3hxf s LYS 307 Cb -0.11 -2.09 -0.11 0.00 -0.52 0.00 0.00 37.83 35.01 3hxf s LYS 307 CO 0.00 -1.08 1.47 -2.14 -0.92 0.00 0.00 175.35 172.68 3hxf s PRO 308 N -3.12 4.13 -0.01 -1.68 0.02 -1.26 -4.86 135.00 128.21 3hxf s PRO 308 Ca 0.74 2.54 0.04 0.00 0.02 0.00 0.00 61.00 64.34 3hxf s PRO 308 Cb -0.32 -2.98 -0.03 0.00 0.02 0.00 0.00 34.50 31.19 3hxf s PRO 308 CO 0.36 -0.50 -0.14 0.54 -0.33 0.00 0.00 177.00 176.94 3hxf s VAL 309 N -1.08 3.13 -0.09 3.83 0.11 -1.26 -1.24 120.40 123.78 3hxf s VAL 309 Ca 0.53 -0.86 -0.30 0.00 -2.93 0.00 0.00 61.98 58.42 3hxf s VAL 309 Cb -0.46 -2.28 -0.04 0.00 -1.53 0.00 0.00 36.38 32.07 3hxf s VAL 309 CO 0.62 0.48 1.41 -0.55 -3.33 0.00 0.00 175.10 173.72 3hxf s SER 310 N -1.08 6.85 0.48 3.54 0.15 0.38 -4.73 113.70 119.28 3hxf s SER 310 Ca 0.14 1.94 0.32 0.00 0.70 0.00 0.00 55.95 59.05 3hxf s SER 310 Cb -0.11 -2.54 1.38 0.00 -1.71 0.00 0.00 66.02 63.04 3hxf s SER 310 CO 0.03 -0.79 1.94 1.55 1.20 0.00 0.00 173.24 177.17 3hxf h PRO 311 N 8.51 0.00 0.03 5.44 0.13 -1.92 -0.38 132.00 143.80 3hxf h PRO 311 Ca -0.33 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.63 3hxf h PRO 311 Cb 1.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 3hxf h PRO 311 CO 0.95 0.00 -0.91 0.28 -0.23 0.00 0.00 178.00 178.09 3hxf h VAL 312 N 0.00 1.21 -0.01 1.56 2.07 -1.90 -3.41 116.25 115.77 3hxf h VAL 312 Ca 0.00 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.24 3hxf h VAL 312 Cb 0.39 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 3hxf h VAL 312 CO 0.00 0.50 -0.80 0.49 0.02 0.00 0.00 177.57 177.78 3hxf n PHE 313 N -4.36 0.00 -3.79 1.57 3.01 -1.21 -4.96 117.46 107.72 3hxf n PHE 313 Ca -0.24 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 57.93 3hxf n PHE 313 Cb 0.67 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.16 3hxf n PHE 313 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hxf s MET 315 N -6.22 0.70 0.22 0.00 -1.94 -1.26 -4.96 119.30 105.85 3hxf s MET 315 Ca 0.27 -0.78 -0.32 0.00 -1.71 0.00 0.00 55.69 53.16 3hxf s MET 315 Cb -0.10 0.28 -0.14 0.00 2.01 0.00 0.00 34.83 36.89 3hxf s MET 315 CO 0.87 -0.20 1.44 -2.30 -0.01 0.00 0.00 175.02 174.82 3hxf n PRO 316 N 0.48 2.04 -0.16 2.03 -0.02 -1.26 -0.47 135.00 137.64 3hxf n PRO 316 Ca -0.18 0.73 0.17 0.00 -2.02 0.00 0.00 63.50 62.20 3hxf n PRO 316 Cb 0.60 -2.40 0.53 0.00 -0.02 0.00 0.00 33.50 32.20 3hxf n PRO 316 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3hxf h GLU 317 N 4.51 0.35 -0.39 -0.52 4.39 -1.46 -1.57 114.58 119.88 3hxf h GLU 317 Ca -0.45 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.22 3hxf h GLU 317 Cb 1.27 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.82 3hxf h GLU 317 CO 0.78 0.23 0.19 1.05 -1.16 0.00 0.00 179.01 180.10 3hxf h GLU 318 N 0.36 0.53 -0.17 2.33 4.11 -1.89 0.14 114.58 119.99 3hxf h GLU 318 Ca 0.37 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.74 3hxf h GLU 318 Cb 0.94 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 3hxf h GLU 318 CO -0.11 0.41 0.08 0.28 0.07 0.00 0.00 179.01 179.74 3hxf h VAL 319 N 0.54 1.14 -0.28 -1.06 2.07 -1.65 -2.43 116.25 114.57 3hxf h VAL 319 Ca 0.14 -0.41 -0.09 0.00 0.82 0.00 0.00 66.70 67.16 3hxf h VAL 319 Cb 0.05 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3hxf h VAL 319 CO -0.02 0.13 -0.19 -0.07 0.02 0.00 0.00 177.57 177.44 3hxf h LEU 320 N 0.14 0.50 -0.73 2.57 3.38 -1.33 -2.00 115.31 117.84 3hxf h LEU 320 Ca 0.06 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.92 3hxf h LEU 320 Cb 0.14 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 3hxf h LEU 320 CO -0.01 0.71 0.45 1.56 0.09 0.00 0.00 178.44 181.24 3hxf h GLN 321 N 0.46 0.83 -0.61 1.13 4.20 -0.73 -0.34 115.11 120.05 3hxf h GLN 321 Ca 0.08 -0.05 0.07 0.00 0.06 0.00 0.00 58.65 58.81 3hxf h GLN 321 Cb 0.59 -0.19 -0.06 0.00 0.30 0.00 0.00 27.48 28.12 3hxf h GLN 321 CO 0.04 0.55 0.30 -0.09 -0.67 0.00 0.00 178.83 178.96 3hxf h ARG 322 N 0.86 0.52 -0.04 1.46 2.43 -0.86 -2.14 114.38 116.61 3hxf h ARG 322 Ca 0.30 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 3hxf h ARG 322 Cb 0.08 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3hxf h ARG 322 CO -0.13 0.35 0.00 1.33 -1.51 0.00 0.00 179.97 180.00 3hxf n VAL 323 N -4.89 0.04 -3.45 0.20 0.24 -1.02 -4.95 118.33 104.51 3hxf n VAL 323 Ca 0.08 -0.29 -0.20 0.00 -2.04 0.00 0.00 64.34 61.89 3hxf n VAL 323 Cb 0.21 0.55 0.08 0.00 -1.47 0.00 0.00 33.84 33.21 3hxf n VAL 323 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3hxf n ASN 324 N 0.29 -4.48 -3.79 -1.34 4.05 -0.24 -4.98 115.26 104.78 3hxf n ASN 324 Ca 0.18 -0.53 -0.30 0.00 0.45 0.00 0.00 54.58 54.38 3hxf n ASN 324 Cb 0.37 -4.75 -0.14 0.00 1.23 0.00 0.00 39.78 36.49 3hxf n ASN 324 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3hxf s VAL 325 N -3.31 1.64 -0.41 3.44 0.11 -0.61 -5.02 120.40 116.24 3hxf s VAL 325 Ca 0.33 -2.51 0.03 0.00 -2.93 0.00 0.00 61.98 56.90 3hxf s VAL 325 Cb -0.15 -2.16 0.16 0.00 -1.53 0.00 0.00 36.38 32.70 3hxf s VAL 325 CO 0.68 -0.81 0.31 -1.10 -3.33 0.00 0.00 175.10 170.84 3hxf s GLN 326 N 0.47 0.92 0.29 1.54 -0.21 -1.26 -4.71 119.66 116.69 3hxf s GLN 326 Ca 0.16 -1.96 -0.30 0.00 0.02 0.00 0.00 55.36 53.28 3hxf s GLN 326 Cb -0.23 -1.55 -0.13 0.00 1.00 0.00 0.00 33.01 32.10 3hxf s GLN 326 CO -0.04 -1.32 1.31 -2.30 -2.12 0.00 0.00 175.29 170.82 3hxf n PRO 327 N 3.16 2.00 -2.14 2.91 -0.02 -1.26 -4.94 135.00 134.70 3hxf n PRO 327 Ca 0.23 0.71 -0.41 0.00 -2.02 0.00 0.00 63.50 62.01 3hxf n PRO 327 Cb 0.43 -2.30 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 3hxf n PRO 327 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3hxf s GLU 328 N -1.16 4.38 0.55 -0.52 1.03 -1.26 -5.03 118.70 116.67 3hxf s GLU 328 Ca 0.62 2.18 0.08 0.00 0.03 0.00 0.00 54.97 57.87 3hxf s GLU 328 Cb -0.62 -3.09 0.06 0.00 -0.80 0.00 0.00 34.13 29.68 3hxf s GLU 328 CO 0.56 -0.17 0.58 -0.51 -1.33 0.00 0.00 175.26 174.39 3hxf s LEU 329 N -1.59 2.95 0.00 1.83 1.43 -1.26 -4.88 118.68 117.15 3hxf s LEU 329 Ca 0.50 -1.02 0.23 0.00 -1.03 0.00 0.00 54.13 52.80 3hxf s LEU 329 Cb -0.39 -1.48 1.36 0.00 0.03 0.00 0.00 46.19 45.71 3hxf s LEU 329 CO 0.51 -1.17 1.73 0.52 0.23 0.00 0.00 176.35 178.16