#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hxd n LYS 6 N 0.00 1.10 -3.86 3.69 5.02 -1.26 -4.92 118.16 117.93 3hxd n LYS 6 Ca 0.00 0.40 -0.08 0.00 -2.02 0.00 0.00 58.31 56.60 3hxd n LYS 6 Cb 0.00 -2.11 -0.03 0.00 -0.02 0.00 0.00 35.03 32.86 3hxd n LYS 6 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3hxd s ASP 7 N 3.98 -0.22 0.34 4.39 2.15 -1.26 -4.64 116.67 121.41 3hxd s ASP 7 Ca 1.00 -0.66 0.01 0.00 0.43 0.00 0.00 52.55 53.34 3hxd s ASP 7 Cb -1.07 0.65 -0.03 0.00 -0.30 0.00 0.00 42.92 42.17 3hxd s ASP 7 CO 0.65 -1.21 0.53 0.68 -0.17 0.00 0.00 175.17 175.65 3hxd s VAL 8 N -3.93 4.93 -0.22 1.11 -7.23 -1.26 -5.01 120.40 108.79 3hxd s VAL 8 Ca 0.14 -0.57 -0.00 0.00 -1.81 0.00 0.00 61.98 59.74 3hxd s VAL 8 Cb -0.03 -3.79 0.02 0.00 0.56 0.00 0.00 36.38 33.14 3hxd s VAL 8 CO 0.05 -0.48 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.35 3hxd s THR 9 N -2.29 2.47 -0.24 5.32 2.01 -1.26 -4.56 115.64 117.08 3hxd s THR 9 Ca 0.40 -1.03 -0.29 0.00 0.31 0.00 0.00 61.69 61.09 3hxd s THR 9 Cb -0.10 -2.18 0.00 0.00 0.01 0.00 0.00 72.50 70.24 3hxd s THR 9 CO 0.35 0.33 1.17 -0.63 -0.69 0.00 0.00 174.62 175.15 3hxd s ILE 10 N 1.29 4.42 0.59 1.82 1.01 -1.26 -5.01 121.20 124.05 3hxd s ILE 10 Ca 0.01 1.68 -0.18 0.00 0.00 0.00 0.00 60.65 62.16 3hxd s ILE 10 Cb -0.15 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.07 3hxd s ILE 10 CO -0.08 -0.29 1.12 -1.59 0.00 0.00 0.00 174.94 174.10 3hxd s LYS 11 N 3.58 3.14 0.00 2.79 -2.85 -1.26 -4.92 119.74 120.22 3hxd s LYS 11 Ca 0.50 1.53 0.24 0.00 -1.00 0.00 0.00 55.97 57.24 3hxd s LYS 11 Cb -0.17 -1.98 1.25 0.00 -2.06 0.00 0.00 37.83 34.88 3hxd s LYS 11 CO 0.14 -1.01 1.80 -1.13 0.10 0.00 0.00 175.35 175.25 3hxd n SER 12 N -1.73 0.00 -1.22 0.03 3.41 -1.26 -1.84 113.62 111.00 3hxd n SER 12 Ca 0.11 -0.18 0.08 0.00 -0.26 0.00 0.00 58.87 58.62 3hxd n SER 12 Cb 0.51 -0.23 0.30 0.00 -0.26 0.00 0.00 64.21 64.53 3hxd n SER 12 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3hxd n ASP 13 N -1.23 4.33 -4.75 4.04 5.75 -1.26 -5.01 116.55 118.41 3hxd n ASP 13 Ca 0.13 -2.70 -0.37 0.00 -0.01 0.00 0.00 54.79 51.83 3hxd n ASP 13 Cb 0.17 -0.53 0.04 0.00 -1.03 0.00 0.00 41.12 39.77 3hxd n ASP 13 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hxd s ALA 14 N -2.29 2.68 0.28 2.12 0.00 -0.77 -4.93 121.76 118.85 3hxd s ALA 14 Ca 0.44 1.15 -0.30 0.00 0.00 0.00 0.00 51.96 53.25 3hxd s ALA 14 Cb 0.32 -3.50 -0.13 0.00 0.00 0.00 0.00 23.12 19.81 3hxd s ALA 14 CO 0.15 -1.24 1.44 -2.30 0.00 0.00 0.00 175.76 173.81 3hxd n PRO 15 N -1.28 2.25 -0.10 0.00 -0.02 -1.26 -4.90 135.00 129.68 3hxd n PRO 15 Ca 0.12 0.80 0.03 0.00 -2.02 0.00 0.00 63.50 62.43 3hxd n PRO 15 Cb 0.47 -2.48 0.05 0.00 -0.02 0.00 0.00 33.50 31.53 3hxd n PRO 15 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3hxd n ASP 16 N 1.86 1.48 -4.13 2.55 5.68 -1.26 -3.05 116.55 119.69 3hxd n ASP 16 Ca 0.09 -2.21 -0.15 0.00 -0.50 0.00 0.00 54.79 52.02 3hxd n ASP 16 Cb 0.34 -0.18 -0.11 0.00 -1.14 0.00 0.00 41.12 40.03 3hxd n ASP 16 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3hxd s THR 17 N -1.32 0.82 -0.10 2.12 -1.32 -1.26 -5.08 115.64 109.49 3hxd s THR 17 Ca 0.11 -1.30 -0.28 0.00 -1.21 0.00 0.00 61.69 59.01 3hxd s THR 17 Cb 0.10 -0.95 -0.02 0.00 -1.51 0.00 0.00 72.50 70.12 3hxd s THR 17 CO 0.01 -0.38 0.92 -0.22 -2.21 0.00 0.00 174.62 172.74 3hxd s LEU 18 N -1.86 4.25 -0.83 9.08 2.96 -1.26 -4.97 118.68 126.05 3hxd s LEU 18 Ca -0.03 1.41 0.02 0.00 -0.22 0.00 0.00 54.13 55.30 3hxd s LEU 18 Cb -0.08 -3.41 0.33 0.00 0.50 0.00 0.00 46.19 43.52 3hxd s LEU 18 CO 0.01 -0.37 1.42 0.18 -1.32 0.00 0.00 176.35 176.27 3hxd n LEU 19 N 4.76 6.03 -0.22 -0.68 4.77 -1.26 -4.87 117.00 125.53 3hxd n LEU 19 Ca 0.06 -5.52 -0.04 0.00 -0.03 0.00 0.00 56.01 50.48 3hxd n LEU 19 Cb 0.49 -0.90 0.06 0.00 -2.33 0.00 0.00 43.42 40.75 3hxd n LEU 19 CO 0.50 2.17 1.11 0.25 -1.33 0.00 0.00 177.39 180.10 3hxd h LEU 20 N 3.72 0.63 -0.67 2.23 5.85 -1.99 -2.12 115.31 122.96 3hxd h LEU 20 Ca 0.35 0.00 0.04 0.00 0.84 0.00 0.00 57.88 59.10 3hxd h LEU 20 Cb 0.41 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 3hxd h LEU 20 CO 1.02 0.44 0.40 -0.33 -0.34 0.00 0.00 178.44 179.64 3hxd h GLU 21 N 0.76 0.76 -0.47 1.25 3.07 -2.00 -0.99 114.58 116.96 3hxd h GLU 21 Ca 0.25 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 59.01 3hxd h GLU 21 Cb 0.02 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 27.74 3hxd h GLU 21 CO -0.10 0.50 0.06 0.87 -1.40 0.00 0.00 179.01 178.94 3hxd h LYS 22 N 0.78 0.73 -0.28 2.33 1.57 -1.84 -2.18 116.57 117.68 3hxd h LYS 22 Ca 0.27 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 3hxd h LYS 22 Cb 0.06 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 3hxd h LYS 22 CO -0.12 0.70 -0.27 0.45 -0.57 0.00 0.00 179.45 179.63 3hxd h HIS 23 N 0.70 0.81 -0.65 -1.35 3.86 -0.72 -0.93 115.15 116.86 3hxd h HIS 23 Ca 0.15 -0.24 0.01 0.00 -1.16 0.00 0.00 60.37 59.12 3hxd h HIS 23 Cb 0.34 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.61 3hxd h HIS 23 CO 0.02 0.98 0.43 0.00 0.86 0.00 0.00 177.93 180.21 3hxd h ALA 24 N 0.70 0.82 -0.72 2.45 0.00 -1.16 -1.61 119.26 119.75 3hxd h ALA 24 Ca 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3hxd h ALA 24 Cb 0.84 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3hxd h ALA 24 CO 0.07 0.24 0.36 -0.44 0.00 0.00 0.00 179.25 179.48 3hxd h ASP 25 N 0.87 0.92 -0.05 0.00 3.45 -1.29 0.75 116.42 121.06 3hxd h ASP 25 Ca 0.24 -0.12 -0.00 0.00 0.43 0.00 0.00 57.03 57.58 3hxd h ASP 25 Cb -0.09 -0.24 -0.00 0.00 -0.56 0.00 0.00 39.33 38.44 3hxd h ASP 25 CO -0.06 0.78 0.03 0.22 -1.57 0.00 0.00 179.24 178.64 3hxd h TYR 26 N 0.99 0.07 -0.28 4.55 3.20 -0.85 -2.22 116.97 122.43 3hxd h TYR 26 Ca 0.25 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.04 3hxd h TYR 26 Cb 0.09 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 3hxd h TYR 26 CO 0.00 0.12 -0.14 0.82 -1.64 0.00 0.00 178.16 177.33 3hxd h ILE 27 N -0.00 1.30 -0.80 1.81 1.08 -1.21 -2.45 117.51 117.23 3hxd h ILE 27 Ca 0.02 -1.23 0.16 0.00 -0.39 0.00 0.00 64.86 63.41 3hxd h ILE 27 Cb 0.08 1.50 -0.06 0.00 -3.07 0.00 0.00 36.82 35.27 3hxd h ILE 27 CO -0.00 0.39 0.53 0.00 -0.69 0.00 0.00 178.15 178.38 3hxd h ALA 28 N 0.74 2.07 -0.02 1.87 0.00 -0.81 -1.83 119.26 121.28 3hxd h ALA 28 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hxd h ALA 28 Cb 0.66 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3hxd h ALA 28 CO 0.04 -0.30 -0.00 0.43 0.00 0.00 0.00 179.25 179.42 3hxd n SER 29 N -4.50 2.16 -4.74 0.00 7.64 -0.84 -4.98 113.62 108.37 3hxd n SER 29 Ca 0.16 -1.72 -0.41 0.00 1.01 0.00 0.00 58.87 57.90 3hxd n SER 29 Cb 0.54 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.71 3hxd n SER 29 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3hxd s TYR 30 N -2.00 3.38 -0.38 1.43 5.04 -0.69 -2.76 117.35 121.36 3hxd s TYR 30 Ca 0.34 1.35 0.00 0.00 -2.44 0.00 0.00 57.07 56.31 3hxd s TYR 30 Cb 0.21 -3.48 0.00 0.00 0.35 0.00 0.00 41.96 39.03 3hxd s TYR 30 CO 0.32 -1.42 0.00 0.41 -1.34 0.00 0.00 175.55 173.52 3hxd n GLY 31 N 2.34 0.42 0.26 8.97 0.00 -1.26 -5.06 105.19 110.86 3hxd n GLY 31 Ca 0.05 -0.79 0.16 0.00 0.00 0.00 0.00 46.02 45.44 3hxd n GLY 31 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hxd h SER 32 N 0.00 0.00 0.00 1.61 0.02 -1.90 -3.54 113.55 109.74 3hxd h SER 32 Ca -0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3hxd h SER 32 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 3hxd h SER 32 CO 0.12 0.00 0.00 -0.67 -1.14 0.00 0.00 176.83 175.14 3hxd n ASP 36 N -3.05 0.00 -0.04 3.07 -0.08 -1.26 -5.20 116.55 109.99 3hxd n ASP 36 Ca 0.01 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.16 3hxd n ASP 36 Cb 0.35 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.73 3hxd n ASP 36 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 3hxd h TYR 37 N 0.00 0.26 0.00 -0.67 3.20 -2.06 -3.19 116.97 114.51 3hxd h TYR 37 Ca 0.00 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 61.75 3hxd h TYR 37 Cb 0.00 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3hxd h TYR 37 CO 0.00 0.66 -0.21 0.93 -1.64 0.00 0.00 178.16 177.90 3hxd h GLU 38 N -0.22 0.00 -0.03 1.82 4.39 -2.04 -2.33 114.58 116.17 3hxd h GLU 38 Ca 0.01 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.61 3hxd h GLU 38 Cb 0.62 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.27 3hxd h GLU 38 CO 0.02 0.21 -0.36 -0.92 -1.16 0.00 0.00 179.01 176.80 3hxd h TYR 39 N 0.00 0.43 -0.28 4.33 3.20 -1.97 -3.12 116.97 119.56 3hxd h TYR 39 Ca -0.00 -0.21 -0.11 0.00 3.14 0.00 0.00 58.73 61.55 3hxd h TYR 39 Cb 0.66 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 3hxd h TYR 39 CO 0.00 0.98 -0.30 0.00 -1.64 0.00 0.00 178.16 177.21 3hxd h MET 41 N 0.50 0.00 -0.64 0.00 2.86 -1.52 -3.15 114.93 112.98 3hxd h MET 41 Ca 0.06 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.41 3hxd h MET 41 Cb 0.77 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 32.25 3hxd h MET 41 CO 0.06 0.00 0.25 -1.13 1.06 0.00 0.00 176.91 177.15 3hxd n SER 42 N -2.31 3.46 0.15 1.22 3.41 -1.01 -4.55 113.62 113.99 3hxd n SER 42 Ca 0.04 -3.56 0.02 0.00 -0.26 0.00 0.00 58.87 55.11 3hxd n SER 42 Cb 0.34 -0.72 0.37 0.00 -0.26 0.00 0.00 64.21 63.94 3hxd n SER 42 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3hxd h GLU 43 N 1.37 0.13 0.00 4.33 4.81 -1.58 -2.39 114.58 121.25 3hxd h GLU 43 Ca 0.36 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 3hxd h GLU 43 Cb 2.19 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.56 3hxd h GLU 43 CO 0.69 0.38 0.03 2.48 -0.73 0.00 0.00 179.01 181.86 3hxd n TYR 44 N -4.20 0.65 -1.19 0.92 4.11 -1.26 -2.05 117.16 114.14 3hxd n TYR 44 Ca -0.01 0.34 0.07 0.00 -0.00 0.00 0.00 57.90 58.29 3hxd n TYR 44 Cb 0.33 -1.02 0.09 0.00 -0.00 0.00 0.00 39.34 38.75 3hxd n TYR 44 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.86 178.33 3hxd n LEU 45 N -2.18 1.74 -0.22 -3.48 -0.00 -0.91 -4.69 117.00 107.26 3hxd n LEU 45 Ca -0.01 -2.45 0.02 0.00 -0.00 0.00 0.00 56.01 53.57 3hxd n LEU 45 Cb 0.06 -0.29 0.14 0.00 -0.00 0.00 0.00 43.42 43.33 3hxd n LEU 45 CO 0.08 0.57 0.94 -0.09 -0.00 0.00 0.00 177.39 178.90 3hxd h ARG 46 N 0.00 0.30 -0.84 1.47 9.65 -1.38 0.67 114.38 124.25 3hxd h ARG 46 Ca 0.00 -0.02 0.08 0.00 -1.10 0.00 0.00 59.98 58.94 3hxd h ARG 46 Cb 1.05 -0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 29.50 3hxd h ARG 46 CO 0.00 0.20 0.55 1.98 2.80 0.00 0.00 179.97 185.49 3hxd h MET 47 N 0.31 0.85 -0.17 0.20 4.05 -0.97 0.40 114.93 119.61 3hxd h MET 47 Ca 0.35 -0.05 -0.17 0.00 -0.28 0.00 0.00 59.70 59.55 3hxd h MET 47 Cb 0.54 -0.19 0.01 0.00 -0.80 0.00 0.00 31.60 31.15 3hxd h MET 47 CO -0.42 0.56 -0.55 0.77 0.23 0.00 0.00 176.91 177.50 3hxd h SER 48 N 0.87 0.78 -0.61 1.39 0.02 -1.19 -2.13 113.55 112.67 3hxd h SER 48 Ca 0.37 -0.60 0.13 0.00 -0.84 0.00 0.00 61.79 60.85 3hxd h SER 48 Cb 0.31 -0.23 -0.10 0.00 0.14 0.00 0.00 62.40 62.52 3hxd h SER 48 CO -0.14 1.24 0.04 1.23 -1.14 0.00 0.00 176.83 178.05 3hxd h GLY 49 N 0.36 0.69 1.01 -3.77 0.00 -0.51 0.14 103.07 100.98 3hxd h GLY 49 Ca -0.02 0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 3hxd h GLY 49 CO 0.12 -0.18 0.43 -2.08 0.00 0.00 0.00 176.54 174.83 3hxd h VAL 50 N 0.15 1.21 -0.57 4.60 2.07 -0.86 -1.79 116.25 121.06 3hxd h VAL 50 Ca 0.32 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3hxd h VAL 50 Cb 0.52 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 3hxd h VAL 50 CO -0.50 0.22 0.33 0.22 0.02 0.00 0.00 177.57 177.86 3hxd h TYR 51 N 0.99 0.77 -0.40 1.57 3.20 -0.55 -1.46 116.97 121.10 3hxd h TYR 51 Ca 0.26 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 3hxd h TYR 51 Cb -0.02 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 37.98 3hxd h TYR 51 CO -0.01 0.55 0.17 -1.49 -1.64 0.00 0.00 178.16 175.73 3hxd h TRP 52 N 0.77 0.61 0.20 -3.82 6.55 -0.43 -1.33 115.95 118.50 3hxd h TRP 52 Ca 0.20 -0.04 -0.01 0.00 0.95 0.00 0.00 58.89 59.99 3hxd h TRP 52 Cb 0.02 -0.18 0.00 0.00 -0.86 0.00 0.00 29.16 28.14 3hxd h TRP 52 CO -0.02 0.53 -0.10 0.78 -1.05 0.00 0.00 178.44 178.59 3hxd h GLY 53 N 0.50 -0.28 1.02 1.49 0.00 -1.16 -1.83 103.07 102.80 3hxd h GLY 53 Ca 0.13 0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.52 3hxd h GLY 53 CO -0.01 -0.10 0.22 1.41 0.00 0.00 0.00 176.54 178.06 3hxd h LEU 54 N -0.34 0.93 -0.39 3.11 3.38 -1.23 -1.93 115.31 118.85 3hxd h LEU 54 Ca -0.03 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 3hxd h LEU 54 Cb 0.26 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3hxd h LEU 54 CO 0.05 0.87 0.05 0.74 0.09 0.00 0.00 178.44 180.23 3hxd h THR 55 N 0.93 1.25 -0.45 0.22 2.02 -1.22 -0.97 112.91 114.69 3hxd h THR 55 Ca 0.21 -0.90 -0.10 0.00 0.77 0.00 0.00 66.41 66.40 3hxd h THR 55 Cb 0.26 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 3hxd h THR 55 CO -0.01 0.30 -0.12 1.62 0.37 0.00 0.00 175.52 177.68 3hxd h VAL 56 N 0.49 1.26 -0.64 3.16 3.04 -1.26 -0.59 116.25 121.72 3hxd h VAL 56 Ca 0.12 -1.20 -0.04 0.00 -1.01 0.00 0.00 66.70 64.56 3hxd h VAL 56 Cb 0.39 1.05 -0.03 0.00 -2.01 0.00 0.00 31.29 30.69 3hxd h VAL 56 CO 0.01 0.41 0.23 0.24 -1.01 0.00 0.00 177.57 177.46 3hxd h MET 57 N 0.74 0.96 -0.53 4.17 2.07 -1.19 -1.63 114.93 119.52 3hxd h MET 57 Ca 0.12 -0.19 -0.10 0.00 -2.07 0.00 0.00 59.70 57.47 3hxd h MET 57 Cb 0.62 -0.15 -0.02 0.00 -1.87 0.00 0.00 31.60 30.18 3hxd h MET 57 CO 0.04 0.83 -0.06 0.22 1.07 0.00 0.00 176.91 179.01 3hxd h ASP 58 N 0.90 0.93 0.08 1.22 -0.00 -0.84 0.27 116.42 118.99 3hxd h ASP 58 Ca 0.21 -0.28 -0.02 0.00 -0.00 0.00 0.00 57.03 56.94 3hxd h ASP 58 Cb 0.24 -0.25 -0.00 0.00 -0.00 0.00 0.00 39.33 39.31 3hxd h ASP 58 CO -0.01 1.02 -0.09 -0.07 -0.00 0.00 0.00 179.24 180.09 3hxd h LEU 59 N 0.86 0.01 -0.75 2.28 3.38 -0.79 -2.00 115.31 118.31 3hxd h LEU 59 Ca 0.15 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3hxd h LEU 59 Cb 0.59 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3hxd h LEU 59 CO 0.04 0.10 -0.10 0.23 0.09 0.00 0.00 178.44 178.80 3hxd n MET 60 N -4.43 1.31 -0.99 1.13 2.81 -0.64 -0.99 117.12 115.32 3hxd n MET 60 Ca -0.03 -0.75 0.00 0.00 -1.81 0.00 0.00 57.70 55.11 3hxd n MET 60 Cb 0.17 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 3hxd n MET 60 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hxd n GLY 61 N 1.24 0.44 0.16 3.03 0.00 -0.59 -4.96 105.19 104.50 3hxd n GLY 61 Ca 0.16 -0.99 0.09 0.00 0.00 0.00 0.00 46.02 45.28 3hxd n GLY 61 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hxd n GLN 62 N -2.76 1.15 0.01 1.61 1.13 0.86 -4.79 117.38 114.61 3hxd n GLN 62 Ca 0.00 -2.45 0.09 0.00 -1.94 0.00 0.00 57.00 52.70 3hxd n GLN 62 Cb 0.04 -1.39 0.52 0.00 0.11 0.00 0.00 30.24 29.51 3hxd n GLN 62 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 3hxd h LEU 63 N 0.06 0.30 -2.57 1.08 5.85 -1.86 -2.50 115.31 115.68 3hxd h LEU 63 Ca -0.00 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hxd h LEU 63 Cb 1.05 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 3hxd h LEU 63 CO 0.00 0.20 -0.01 1.12 -0.34 0.00 0.00 178.44 179.42 3hxd h HIS 64 N 0.35 0.00 0.00 1.25 2.07 -1.93 -1.50 115.15 115.40 3hxd h HIS 64 Ca 0.18 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.70 3hxd h HIS 64 Cb 0.28 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.26 3hxd h HIS 64 CO -0.00 0.01 0.00 0.54 -3.07 0.00 0.00 177.93 175.41 3hxd n ARG 65 N -3.65 0.11 -2.97 5.12 1.74 -0.94 -4.77 116.66 111.30 3hxd n ARG 65 Ca -0.03 0.14 -0.21 0.00 -0.77 0.00 0.00 57.85 56.99 3hxd n ARG 65 Cb 0.09 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.04 3hxd n ARG 65 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3hxd s MET 66 N -2.84 2.87 -0.79 5.56 -1.94 -0.57 -4.98 119.30 116.62 3hxd s MET 66 Ca 0.13 -0.80 -0.14 0.00 -1.71 0.00 0.00 55.69 53.17 3hxd s MET 66 Cb 0.13 -2.62 0.21 0.00 2.01 0.00 0.00 34.83 34.56 3hxd s MET 66 CO 0.33 -0.35 0.73 1.21 -0.01 0.00 0.00 175.02 176.93 3hxd s ASN 67 N -4.30 6.64 0.09 3.03 3.84 -1.26 -4.93 114.94 118.05 3hxd s ASN 67 Ca 0.52 -2.61 -0.24 0.00 0.21 0.00 0.00 52.86 50.73 3hxd s ASN 67 Cb -0.10 -2.19 -0.16 0.00 -0.55 0.00 0.00 41.25 38.25 3hxd s ASN 67 CO 0.36 -0.59 1.72 0.50 -2.79 0.00 0.00 177.10 176.30 3hxd h LYS 68 N 7.86 -0.12 -0.68 0.43 3.64 -1.92 -2.23 116.57 123.55 3hxd h LYS 68 Ca 0.06 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 3hxd h LYS 68 Cb 1.04 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 3hxd h LYS 68 CO 0.78 -0.08 0.22 1.49 -2.27 0.00 0.00 179.45 179.59 3hxd h GLU 69 N -0.12 1.04 -0.55 1.90 4.81 -2.00 -0.44 114.58 119.22 3hxd h GLU 69 Ca -0.01 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 58.98 3hxd h GLU 69 Cb 0.09 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3hxd h GLU 69 CO 0.02 0.88 0.23 1.49 -0.73 0.00 0.00 179.01 180.90 3hxd h GLU 70 N 1.01 0.83 -0.45 1.92 4.81 -1.96 -2.52 114.58 118.21 3hxd h GLU 70 Ca 0.22 -0.15 -0.10 0.00 -0.13 0.00 0.00 59.36 59.20 3hxd h GLU 70 Cb 0.27 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 3hxd h GLU 70 CO -0.01 0.71 -0.13 0.82 -0.73 0.00 0.00 179.01 179.67 3hxd h ILE 71 N 0.75 1.26 -0.66 2.32 2.04 -0.75 -2.16 117.51 120.32 3hxd h ILE 71 Ca 0.18 -1.23 -0.07 0.00 1.00 0.00 0.00 64.86 64.75 3hxd h ILE 71 Cb 0.19 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 3hxd h ILE 71 CO -0.02 0.42 0.14 -0.07 0.00 0.00 0.00 178.15 178.63 3hxd h LEU 72 N 0.75 1.01 -0.57 1.44 3.38 -0.93 -0.97 115.31 119.41 3hxd h LEU 72 Ca 0.12 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 3hxd h LEU 72 Cb 0.64 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3hxd h LEU 72 CO 0.04 0.99 -0.02 0.58 0.09 0.00 0.00 178.44 180.13 3hxd h VAL 73 N 0.98 1.27 -0.38 1.22 2.07 -1.38 -2.17 116.25 117.85 3hxd h VAL 73 Ca 0.20 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.58 3hxd h VAL 73 Cb 0.39 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3hxd h VAL 73 CO 0.01 0.42 0.22 0.15 0.02 0.00 0.00 177.57 178.39 3hxd h PHE 74 N 0.91 0.42 -0.34 1.57 3.57 -1.05 -1.97 116.94 120.05 3hxd h PHE 74 Ca 0.16 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 3hxd h PHE 74 Cb 0.57 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 3hxd h PHE 74 CO 0.04 0.25 0.20 0.82 -2.23 0.00 0.00 178.31 177.38 3hxd h ILE 75 N 0.46 1.13 -0.79 1.41 2.04 -1.01 -2.26 117.51 118.48 3hxd h ILE 75 Ca 0.15 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.70 3hxd h ILE 75 Cb 0.00 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 3hxd h ILE 75 CO -0.07 0.13 0.52 0.50 0.00 0.00 0.00 178.15 179.24 3hxd h LYS 76 N 0.44 1.03 0.00 2.37 3.64 -1.22 -1.03 116.57 121.79 3hxd h LYS 76 Ca 0.12 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3hxd h LYS 76 Cb 0.04 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 3hxd h LYS 76 CO -0.02 0.68 0.00 0.77 -2.27 0.00 0.00 179.45 178.61 3hxd h SER 77 N 1.06 0.00 0.04 4.20 0.02 -0.94 -2.90 113.55 115.02 3hxd h SER 77 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 3hxd h SER 77 Cb -0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.43 3hxd h SER 77 CO -0.07 0.00 -0.25 0.00 -1.14 0.00 0.00 176.83 175.37 3hxd s GLN 79 N -2.31 4.40 0.59 0.00 0.74 -1.09 -1.17 119.66 120.82 3hxd s GLN 79 Ca 0.25 1.02 0.01 0.00 0.05 0.00 0.00 55.36 56.69 3hxd s GLN 79 Cb 0.19 -3.50 0.06 0.00 1.10 0.00 0.00 33.01 30.86 3hxd s GLN 79 CO 0.47 -0.11 0.83 -1.01 -0.55 0.00 0.00 175.29 174.91 3hxd s HIS 80 N 1.38 2.50 0.49 1.67 3.76 0.69 -4.97 115.29 120.82 3hxd s HIS 80 Ca 0.40 -0.10 0.22 0.00 -0.15 0.00 0.00 55.06 55.43 3hxd s HIS 80 Cb -0.18 -2.79 1.37 0.00 1.11 0.00 0.00 32.58 32.09 3hxd s HIS 80 CO 0.17 -1.08 2.11 1.05 -0.85 0.00 0.00 174.74 176.14 3hxd h GLU 81 N -0.06 0.00 0.00 1.40 9.09 -1.97 -0.89 114.58 122.15 3hxd h GLU 81 Ca -0.40 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.01 3hxd h GLU 81 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.39 3hxd h GLU 81 CO 0.49 0.09 0.00 0.00 0.05 0.00 0.00 179.01 179.64 3hxd n GLY 83 N 0.36 2.78 3.83 0.00 0.00 -0.34 -4.10 105.19 107.72 3hxd n GLY 83 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3hxd n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hxd s GLY 84 N -2.68 1.71 -0.09 -0.02 0.00 -1.26 -3.81 107.32 101.17 3hxd s GLY 84 Ca 0.00 0.08 0.03 0.00 0.00 0.00 0.00 44.72 44.82 3hxd s GLY 84 CO 0.00 0.38 -0.16 0.14 0.00 0.00 0.00 173.10 173.46 3hxd s VAL 85 N -3.02 2.83 0.57 1.40 1.01 -1.26 -0.22 120.40 121.71 3hxd s VAL 85 Ca 0.58 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 3hxd s VAL 85 Cb -0.14 -2.13 0.03 0.00 0.00 0.00 0.00 36.38 34.15 3hxd s VAL 85 CO 0.53 0.56 0.82 -0.94 0.00 0.00 0.00 175.10 176.07 3hxd s SER 86 N -0.14 5.29 0.42 3.32 1.04 -0.32 -1.86 113.70 121.45 3hxd s SER 86 Ca -0.02 0.18 0.22 0.00 0.48 0.00 0.00 55.95 56.81 3hxd s SER 86 Cb -0.14 -1.08 0.84 0.00 0.10 0.00 0.00 66.02 65.74 3hxd s SER 86 CO 0.04 -1.17 1.79 0.00 0.98 0.00 0.00 173.24 174.89 3hxd h ALA 87 N -0.04 1.01 -2.50 5.32 0.00 -1.84 -3.45 119.26 117.77 3hxd h ALA 87 Ca -0.43 -0.25 0.12 0.00 0.00 0.00 0.00 54.91 54.35 3hxd h ALA 87 Cb 1.29 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 3hxd h ALA 87 CO 0.55 0.34 0.42 0.45 0.00 0.00 0.00 179.25 181.01 3hxd s SER 88 N -6.27 -0.28 0.12 0.00 0.15 -1.26 -0.33 113.70 105.83 3hxd s SER 88 Ca 0.00 -0.29 -0.31 0.00 0.70 0.00 0.00 55.95 56.06 3hxd s SER 88 Cb 0.10 0.51 -0.08 0.00 -1.71 0.00 0.00 66.02 64.84 3hxd s SER 88 CO 0.65 -0.91 1.46 -0.63 1.20 0.00 0.00 173.24 175.02 3hxd s ILE 89 N -3.39 3.09 0.00 6.45 1.01 -1.26 -1.99 121.20 125.11 3hxd s ILE 89 Ca 0.09 0.76 0.00 0.00 0.00 0.00 0.00 60.65 61.50 3hxd s ILE 89 Cb -0.02 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.96 3hxd s ILE 89 CO -0.02 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.59 3hxd n GLY 90 N 3.62 2.64 3.92 6.18 0.00 -1.26 -5.05 105.19 115.24 3hxd n GLY 90 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 3hxd n GLY 90 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hxd s HIS 91 N -2.26 2.53 0.18 1.61 3.76 -0.84 -5.06 115.29 115.20 3hxd s HIS 91 Ca 0.00 0.52 -0.08 0.00 -0.15 0.00 0.00 55.06 55.35 3hxd s HIS 91 Cb 0.00 -3.56 -0.06 0.00 1.11 0.00 0.00 32.58 30.06 3hxd s HIS 91 CO 0.00 -1.91 0.47 -0.51 -0.85 0.00 0.00 174.74 171.94 3hxd s ASP 92 N -4.65 6.59 0.49 1.40 -0.00 -1.26 -4.74 116.67 114.49 3hxd s ASP 92 Ca 0.65 0.79 -0.22 0.00 -0.00 0.00 0.00 52.55 53.77 3hxd s ASP 92 Cb -0.09 -2.17 -0.07 0.00 -0.00 0.00 0.00 42.92 40.59 3hxd s ASP 92 CO 0.49 0.01 1.19 -2.16 -0.00 0.00 0.00 175.17 174.69 3hxd s PRO 93 N -2.62 3.59 -0.06 8.23 0.04 -1.26 -4.24 135.00 138.68 3hxd s PRO 93 Ca 0.43 1.81 -0.23 0.00 0.04 0.00 0.00 61.00 63.05 3hxd s PRO 93 Cb -0.12 -2.31 0.05 0.00 0.04 0.00 0.00 34.50 32.16 3hxd s PRO 93 CO 0.22 -0.71 0.52 -1.58 0.04 0.00 0.00 177.00 175.50 3hxd s HIS 94 N -1.55 -0.47 0.38 0.56 2.46 -0.78 -4.83 115.29 111.07 3hxd s HIS 94 Ca 0.67 0.85 0.11 0.00 0.47 0.00 0.00 55.06 57.16 3hxd s HIS 94 Cb -0.29 0.27 0.90 0.00 -0.13 0.00 0.00 32.58 33.32 3hxd s HIS 94 CO 0.35 -0.49 1.90 -0.07 -2.47 0.00 0.00 174.74 173.96 3hxd h LEU 95 N 3.62 0.56 -0.45 8.88 3.38 -1.32 -1.69 115.31 128.29 3hxd h LEU 95 Ca -0.28 0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.75 3hxd h LEU 95 Cb 1.16 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 3hxd h LEU 95 CO 0.36 0.29 0.24 -0.07 0.09 0.00 0.00 178.44 179.36 3hxd h LEU 96 N 0.60 0.37 0.00 1.67 3.38 -1.91 -1.25 115.31 118.16 3hxd h LEU 96 Ca 0.41 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.30 3hxd h LEU 96 Cb 0.72 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3hxd h LEU 96 CO -0.16 0.26 -0.93 1.88 0.09 0.00 0.00 178.44 179.58 3hxd h TYR 97 N 0.48 0.00 -0.33 1.13 0.05 -1.70 -2.18 116.97 114.41 3hxd h TYR 97 Ca 0.19 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.96 3hxd h TYR 97 Cb 0.07 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.79 3hxd h TYR 97 CO -0.09 0.37 0.18 1.15 -1.05 0.00 0.00 178.16 178.72 3hxd h THR 98 N 0.00 1.14 0.26 -2.88 2.02 -1.22 -0.00 112.91 112.23 3hxd h THR 98 Ca -0.07 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 3hxd h THR 98 Cb 1.34 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 3hxd h THR 98 CO 0.04 0.14 -0.12 0.25 0.37 0.00 0.00 175.52 176.19 3hxd h LEU 99 N 0.42 -0.29 -0.55 2.58 5.85 -1.13 -1.67 115.31 120.51 3hxd h LEU 99 Ca 0.12 -0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.90 3hxd h LEU 99 Cb 0.07 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.09 3hxd h LEU 99 CO -0.02 -0.16 0.11 0.28 -0.34 0.00 0.00 178.44 178.32 3hxd h SER 100 N -0.41 0.01 -0.58 1.25 0.02 -1.36 0.58 113.55 113.06 3hxd h SER 100 Ca -0.04 0.10 0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3hxd h SER 100 Cb 0.31 0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.95 3hxd h SER 100 CO 0.06 0.02 0.36 0.00 -1.14 0.00 0.00 176.83 176.13 3hxd h ALA 101 N 1.43 0.75 -0.23 3.77 0.00 -0.90 -1.21 119.26 122.87 3hxd h ALA 101 Ca 0.28 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 3hxd h ALA 101 Cb 0.39 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3hxd h ALA 101 CO -0.36 0.10 -0.25 0.28 0.00 0.00 0.00 179.25 179.02 3hxd h VAL 102 N 0.72 1.26 -0.36 0.00 2.07 -0.54 -0.99 116.25 118.41 3hxd h VAL 102 Ca 0.23 -1.24 -0.06 0.00 0.82 0.00 0.00 66.70 66.45 3hxd h VAL 102 Cb 0.00 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 3hxd h VAL 102 CO -0.09 0.39 -0.01 1.56 0.02 0.00 0.00 177.57 179.44 3hxd h GLN 103 N 0.39 0.65 -0.02 1.57 4.20 -0.50 -0.63 115.11 120.78 3hxd h GLN 103 Ca 0.06 -0.22 0.02 0.00 0.06 0.00 0.00 58.65 58.57 3hxd h GLN 103 Cb 0.65 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 3hxd h GLN 103 CO 0.05 0.77 -0.10 0.82 -0.67 0.00 0.00 178.83 179.70 3hxd h ILE 104 N 0.46 0.75 -0.15 2.54 2.04 -0.98 -0.35 117.51 121.83 3hxd h ILE 104 Ca 0.10 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.91 3hxd h ILE 104 Cb 0.48 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 3hxd h ILE 104 CO 0.02 0.00 -0.12 -0.07 0.00 0.00 0.00 178.15 177.98 3hxd h LEU 105 N -0.16 0.23 -0.18 1.44 3.38 -1.12 -1.50 115.31 117.40 3hxd h LEU 105 Ca 0.04 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3hxd h LEU 105 Cb 0.21 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3hxd h LEU 105 CO -0.11 0.38 0.01 0.74 0.09 0.00 0.00 178.44 179.55 3hxd h THR 106 N 0.23 1.24 -0.99 0.22 2.02 -0.84 0.20 112.91 115.00 3hxd h THR 106 Ca 0.05 -0.82 0.19 0.00 0.77 0.00 0.00 66.41 66.60 3hxd h THR 106 Cb 0.36 1.43 -0.10 0.00 -1.74 0.00 0.00 68.15 68.10 3hxd h THR 106 CO 0.02 0.25 0.61 -0.07 0.37 0.00 0.00 175.52 176.70 3hxd h LEU 107 N 0.08 0.72 -1.92 2.58 3.38 -0.49 -2.32 115.31 117.32 3hxd h LEU 107 Ca 0.05 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3hxd h LEU 107 Cb 0.36 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3hxd h LEU 107 CO 0.01 0.26 0.00 -1.22 0.09 0.00 0.00 178.44 177.58 3hxd n TYR 108 N -4.70 0.44 -4.00 1.13 4.01 -0.62 -4.97 117.16 108.45 3hxd n TYR 108 Ca 0.22 -0.22 -0.26 0.00 -0.16 0.00 0.00 57.90 57.48 3hxd n TYR 108 Cb 0.59 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.59 3hxd n TYR 108 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3hxd n ASP 109 N 1.11 -0.15 -2.69 7.72 2.03 0.24 -4.89 116.55 119.92 3hxd n ASP 109 Ca 0.18 -1.04 -0.05 0.00 0.52 0.00 0.00 54.79 54.40 3hxd n ASP 109 Cb 0.51 -2.87 0.04 0.00 -0.72 0.00 0.00 41.12 38.09 3hxd n ASP 109 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3hxd n SER 110 N -2.97 2.16 -0.04 1.67 7.64 0.45 -4.93 113.62 117.61 3hxd n SER 110 Ca -0.31 -2.39 0.06 0.00 1.01 0.00 0.00 58.87 57.23 3hxd n SER 110 Cb 0.69 -0.46 0.43 0.00 -1.01 0.00 0.00 64.21 63.86 3hxd n SER 110 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3hxd h ILE 111 N 4.78 1.06 0.00 0.44 1.08 -1.91 -2.07 117.51 120.89 3hxd h ILE 111 Ca -0.05 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 3hxd h ILE 111 Cb 1.30 0.45 0.00 0.00 -3.07 0.00 0.00 36.82 35.50 3hxd h ILE 111 CO 0.31 0.10 0.00 0.00 -0.69 0.00 0.00 178.15 177.87 3hxd n HIS 112 N -4.47 0.00 0.18 1.37 1.44 -1.26 -2.76 115.22 109.71 3hxd n HIS 112 Ca 0.05 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.82 3hxd n HIS 112 Cb 0.13 -0.36 0.52 0.00 0.12 0.00 0.00 29.99 30.40 3hxd n HIS 112 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 3hxd h VAL 113 N 0.00 1.09 -1.42 0.61 2.07 -1.79 -3.44 116.25 113.37 3hxd h VAL 113 Ca 0.00 -0.35 -0.55 0.00 0.82 0.00 0.00 66.70 66.62 3hxd h VAL 113 Cb 0.18 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.93 3hxd h VAL 113 CO 0.00 0.11 -0.44 0.27 0.02 0.00 0.00 177.57 177.53 3hxd s ILE 114 N -4.96 2.30 -0.67 4.57 -4.36 -1.11 -4.78 121.20 112.19 3hxd s ILE 114 Ca -0.05 -1.58 -0.24 0.00 -0.26 0.00 0.00 60.65 58.51 3hxd s ILE 114 Cb 0.16 -2.88 0.05 0.00 1.25 0.00 0.00 42.46 41.05 3hxd s ILE 114 CO 0.70 0.00 1.08 0.21 0.24 0.00 0.00 174.94 177.17 3hxd s ASN 115 N -4.01 6.20 0.24 4.36 3.04 -1.26 -4.90 114.94 118.61 3hxd s ASN 115 Ca 0.41 -0.68 -0.02 0.00 0.04 0.00 0.00 52.86 52.61 3hxd s ASN 115 Cb 0.01 -2.47 0.28 0.00 -1.54 0.00 0.00 41.25 37.52 3hxd s ASN 115 CO 0.23 -1.55 1.69 0.58 -3.04 0.00 0.00 177.10 175.01 3hxd h VAL 116 N 6.01 1.26 -0.60 -5.21 2.07 -1.93 -2.30 116.25 115.55 3hxd h VAL 116 Ca -0.28 -1.20 -0.03 0.00 0.82 0.00 0.00 66.70 66.01 3hxd h VAL 116 Cb 1.06 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 3hxd h VAL 116 CO 1.20 0.40 0.27 0.44 0.02 0.00 0.00 177.57 179.91 3hxd h ASP 117 N 0.66 0.77 0.66 0.57 3.32 -2.00 -1.52 116.42 118.88 3hxd h ASP 117 Ca 0.11 -0.09 -0.21 0.00 0.02 0.00 0.00 57.03 56.86 3hxd h ASP 117 Cb 0.62 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 3hxd h ASP 117 CO 0.04 0.67 -0.95 0.11 -1.72 0.00 0.00 179.24 177.40 3hxd h LYS 118 N 0.85 0.17 -0.10 3.56 1.57 -1.84 -2.09 116.57 118.69 3hxd h LYS 118 Ca 0.21 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hxd h LYS 118 Cb 0.12 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3hxd h LYS 118 CO -0.02 0.99 0.05 0.28 -0.57 0.00 0.00 179.45 180.18 3hxd h VAL 119 N 0.08 1.01 -0.51 0.50 2.07 -1.04 -0.21 116.25 118.15 3hxd h VAL 119 Ca -0.05 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.48 3hxd h VAL 119 Cb 1.61 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 32.22 3hxd h VAL 119 CO 0.14 0.02 0.25 0.58 0.02 0.00 0.00 177.57 178.58 3hxd h VAL 120 N 0.11 0.94 -0.60 2.57 2.07 -1.25 -0.65 116.25 119.45 3hxd h VAL 120 Ca 0.04 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3hxd h VAL 120 Cb -0.00 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 3hxd h VAL 120 CO -0.02 0.09 0.28 0.00 0.02 0.00 0.00 177.57 177.94 3hxd h ALA 121 N 1.29 0.77 -0.03 1.67 0.00 -1.17 -0.05 119.26 121.74 3hxd h ALA 121 Ca 0.23 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3hxd h ALA 121 Cb 0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3hxd h ALA 121 CO -0.17 0.34 -0.12 -0.92 0.00 0.00 0.00 179.25 178.38 3hxd h TYR 122 N 0.81 -0.30 -0.03 0.00 3.20 -0.57 -1.12 116.97 118.97 3hxd h TYR 122 Ca 0.20 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 3hxd h TYR 122 Cb 0.14 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 3hxd h TYR 122 CO 0.00 -0.18 0.02 0.28 -1.64 0.00 0.00 178.16 176.64 3hxd h VAL 123 N -0.19 1.04 -0.94 1.81 2.07 -0.83 -2.23 116.25 116.98 3hxd h VAL 123 Ca 0.05 -0.10 0.20 0.00 0.82 0.00 0.00 66.70 67.67 3hxd h VAL 123 Cb 0.26 1.04 -0.11 0.00 -1.52 0.00 0.00 31.29 30.96 3hxd h VAL 123 CO -0.14 0.03 0.52 -0.61 0.02 0.00 0.00 177.57 177.39 3hxd h GLN 124 N 0.01 0.60 0.00 1.57 4.15 -0.94 -2.13 115.11 118.38 3hxd h GLN 124 Ca 0.01 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3hxd h GLN 124 Cb 0.03 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.59 3hxd h GLN 124 CO -0.00 0.40 0.00 0.66 -1.93 0.00 0.00 178.83 177.96 3hxd h SER 125 N 0.62 0.00 0.14 -0.69 4.64 -0.56 -3.01 113.55 114.68 3hxd h SER 125 Ca 0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 3hxd h SER 125 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3hxd h SER 125 CO -0.43 0.00 -0.32 0.18 -0.87 0.00 0.00 176.83 175.40 3hxd n LEU 126 N -2.76 1.41 -4.76 5.97 4.77 -0.80 -4.90 117.00 115.93 3hxd n LEU 126 Ca 0.01 -0.45 -0.40 0.00 -0.03 0.00 0.00 56.01 55.15 3hxd n LEU 126 Cb 0.26 -0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 3hxd n LEU 126 CO 0.24 0.26 0.71 -1.58 -1.33 0.00 0.00 177.39 175.69 3hxd s GLN 127 N -2.47 4.71 0.42 3.23 0.74 -1.14 -1.65 119.66 123.50 3hxd s GLN 127 Ca 0.23 1.59 0.08 0.00 0.05 0.00 0.00 55.36 57.31 3hxd s GLN 127 Cb 0.19 -3.16 -0.01 0.00 1.10 0.00 0.00 33.01 31.14 3hxd s GLN 127 CO 0.53 0.34 0.45 0.15 -0.55 0.00 0.00 175.29 176.21 3hxd s LYS 128 N -1.44 2.63 0.32 1.67 -0.14 0.12 -4.97 119.74 117.93 3hxd s LYS 128 Ca 0.44 -1.44 0.00 0.00 -1.36 0.00 0.00 55.97 53.62 3hxd s LYS 128 Cb -0.27 -2.52 0.54 0.00 -1.68 0.00 0.00 37.83 33.90 3hxd s LYS 128 CO 0.34 -0.23 1.98 0.93 -0.76 0.00 0.00 175.35 177.61 3hxd h GLU 129 N 0.88 0.96 0.00 1.68 5.08 -1.97 -0.64 114.58 120.57 3hxd h GLU 129 Ca -0.41 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3hxd h GLU 129 Cb 1.27 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3hxd h GLU 129 CO 0.53 0.64 0.00 -0.40 -1.00 0.00 0.00 179.01 178.77 3hxd n ASP 130 N -4.43 0.00 0.00 1.42 5.68 -1.26 -4.87 116.55 113.09 3hxd n ASP 130 Ca 0.09 -0.91 0.00 0.00 -0.50 0.00 0.00 54.79 53.46 3hxd n ASP 130 Cb 0.05 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 3hxd n ASP 130 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hxd n GLY 131 N 0.53 1.32 3.69 6.12 0.00 -0.25 -4.10 105.19 112.50 3hxd n GLY 131 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3hxd n GLY 131 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hxd s SER 132 N -2.00 3.12 -0.06 1.61 1.04 -1.26 -4.00 113.70 112.15 3hxd s SER 132 Ca 0.00 1.52 0.06 0.00 0.48 0.00 0.00 55.95 58.01 3hxd s SER 132 Cb 0.00 -2.19 -0.01 0.00 0.10 0.00 0.00 66.02 63.92 3hxd s SER 132 CO 0.00 -2.86 -0.24 -0.36 0.98 0.00 0.00 173.24 170.75 3hxd s PHE 133 N -2.87 2.46 0.48 5.02 0.40 -1.26 0.11 117.98 122.31 3hxd s PHE 133 Ca 0.64 -0.71 -0.17 0.00 -0.60 0.00 0.00 56.93 56.09 3hxd s PHE 133 Cb -0.19 -1.61 -0.08 0.00 0.51 0.00 0.00 43.02 41.65 3hxd s PHE 133 CO 0.58 -0.21 0.95 0.00 0.70 0.00 0.00 175.22 177.24 3hxd s ALA 134 N -0.16 3.09 0.17 5.36 0.00 -0.66 -3.69 121.76 125.87 3hxd s ALA 134 Ca -0.04 0.19 0.15 0.00 0.00 0.00 0.00 51.96 52.26 3hxd s ALA 134 Cb -0.14 -3.08 0.43 0.00 0.00 0.00 0.00 23.12 20.34 3hxd s ALA 134 CO 0.04 -0.11 1.63 0.78 0.00 0.00 0.00 175.76 178.09 3hxd h GLY 135 N 1.22 0.00 -0.40 0.00 0.00 -1.63 -3.47 103.07 98.79 3hxd h GLY 135 Ca -0.47 0.00 0.03 0.00 0.00 0.00 0.00 47.33 46.88 3hxd h GLY 135 CO 0.62 0.00 0.15 2.09 0.00 0.00 0.00 176.54 179.40 3hxd n ASP 136 N -3.58 -0.63 0.14 0.19 5.68 -1.26 -0.93 116.55 116.17 3hxd n ASP 136 Ca -0.00 -1.38 0.10 0.00 -0.50 0.00 0.00 54.79 53.01 3hxd n ASP 136 Cb 0.60 1.04 0.53 0.00 -1.14 0.00 0.00 41.12 42.15 3hxd n ASP 136 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 3hxd n ILE 137 N -0.21 1.07 1.28 2.12 -5.35 -1.26 -2.29 119.36 114.72 3hxd n ILE 137 Ca -0.02 0.63 0.13 0.00 -0.27 0.00 0.00 62.75 63.23 3hxd n ILE 137 Cb 0.19 -1.61 0.49 0.00 -1.74 0.00 0.00 39.64 36.97 3hxd n ILE 137 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3hxd n TRP 138 N -2.20 0.00 -0.29 4.28 7.02 -1.26 -4.97 117.44 120.02 3hxd n TRP 138 Ca -0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.47 3hxd n TRP 138 Cb 0.07 -0.18 0.00 0.00 -2.42 0.00 0.00 31.31 28.77 3hxd n TRP 138 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hxd n GLY 139 N 1.34 0.81 3.70 6.99 0.00 -0.97 -5.03 105.19 112.02 3hxd n GLY 139 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3hxd n GLY 139 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hxd s GLU 140 N -0.71 4.20 -0.17 1.61 2.12 -1.26 -4.84 118.70 119.65 3hxd s GLU 140 Ca 0.00 2.36 -0.06 0.00 0.36 0.00 0.00 54.97 57.63 3hxd s GLU 140 Cb 0.00 -3.49 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 3hxd s GLU 140 CO 0.00 -0.71 0.04 0.42 -0.54 0.00 0.00 175.26 174.47 3hxd s ILE 141 N 2.28 4.57 -0.28 -3.70 -1.09 -1.26 -1.63 121.20 120.09 3hxd s ILE 141 Ca 0.73 -0.12 -0.23 0.00 -2.23 0.00 0.00 60.65 58.81 3hxd s ILE 141 Cb -0.41 -3.03 0.09 0.00 -1.58 0.00 0.00 42.46 37.52 3hxd s ILE 141 CO 0.32 0.49 0.81 -0.62 -1.23 0.00 0.00 174.94 174.70 3hxd s ASP 142 N 0.22 -0.69 0.66 3.58 -1.08 -1.24 -4.80 116.67 113.31 3hxd s ASP 142 Ca 0.03 1.28 0.44 0.00 -0.52 0.00 0.00 52.55 53.77 3hxd s ASP 142 Cb -0.13 1.30 2.38 0.00 -1.46 0.00 0.00 42.92 45.01 3hxd s ASP 142 CO 0.01 -0.22 2.34 0.71 0.52 0.00 0.00 175.17 178.53 3hxd h THR 143 N 4.12 0.00 -1.00 1.71 1.35 -1.03 -0.02 112.91 118.03 3hxd h THR 143 Ca -0.29 0.00 0.21 0.00 -0.55 0.00 0.00 66.41 65.78 3hxd h THR 143 Cb 1.18 0.97 -0.11 0.00 -1.73 0.00 0.00 68.15 68.46 3hxd h THR 143 CO 0.09 0.00 0.61 0.03 -0.25 0.00 0.00 175.52 176.00 3hxd h ARG 144 N 0.00 0.65 0.00 4.72 3.08 -1.92 -2.45 114.38 118.46 3hxd h ARG 144 Ca 0.00 -0.04 -0.18 0.00 0.07 0.00 0.00 59.98 59.83 3hxd h ARG 144 Cb 0.05 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 3hxd h ARG 144 CO 0.00 0.43 -0.88 0.74 -1.07 0.00 0.00 179.97 179.19 3hxd h PHE 145 N 0.67 0.00 -0.54 3.04 0.05 -1.29 -1.65 116.94 117.22 3hxd h PHE 145 Ca 0.59 0.00 0.01 0.00 3.82 0.00 0.00 57.97 62.40 3hxd h PHE 145 Cb 1.05 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 38.97 3hxd h PHE 145 CO -0.00 0.85 0.35 0.77 -0.18 0.00 0.00 178.31 180.10 3hxd h SER 146 N 0.00 0.60 -0.12 2.17 0.02 -1.46 -0.63 113.55 114.13 3hxd h SER 146 Ca -0.02 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 3hxd h SER 146 Cb 1.66 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 64.06 3hxd h SER 146 CO 0.11 0.43 0.02 0.15 -1.14 0.00 0.00 176.83 176.40 3hxd h PHE 147 N 0.71 0.21 -0.85 3.45 3.57 -1.36 -2.33 116.94 120.34 3hxd h PHE 147 Ca 0.21 -0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.79 3hxd h PHE 147 Cb -0.05 -0.06 -0.08 0.00 2.79 0.00 0.00 35.95 38.55 3hxd h PHE 147 CO -0.04 0.39 0.48 0.00 -2.23 0.00 0.00 178.31 176.90 3hxd h ALA 149 N 1.49 -0.25 -0.01 0.00 0.00 -1.02 -1.49 119.26 117.99 3hxd h ALA 149 Ca 0.42 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 55.03 3hxd h ALA 149 Cb 0.46 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3hxd h ALA 149 CO -0.28 -0.53 -0.75 -0.39 0.00 0.00 0.00 179.25 177.29 3hxd h VAL 150 N -0.47 1.50 -0.43 0.00 -1.51 -1.17 -1.67 116.25 112.51 3hxd h VAL 150 Ca -0.03 -2.46 -0.13 0.00 -1.23 0.00 0.00 66.70 62.85 3hxd h VAL 150 Cb 0.36 2.33 -0.01 0.00 -2.13 0.00 0.00 31.29 31.84 3hxd h VAL 150 CO 0.04 0.71 -0.23 0.00 -1.23 0.00 0.00 177.57 176.87 3hxd h ALA 151 N 1.17 0.60 0.32 5.19 0.00 -0.94 0.95 119.26 126.56 3hxd h ALA 151 Ca -0.02 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 3hxd h ALA 151 Cb 1.33 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3hxd h ALA 151 CO 0.11 0.59 -0.16 1.15 0.00 0.00 0.00 179.25 180.94 3hxd h THR 152 N 0.74 0.67 -0.82 0.00 2.02 -1.20 -2.34 112.91 111.98 3hxd h THR 152 Ca 0.09 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.23 3hxd h THR 152 Cb 0.80 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 3hxd h THR 152 CO 0.07 0.00 0.35 -0.07 0.37 0.00 0.00 175.52 176.24 3hxd h LEU 153 N -0.44 1.11 -0.45 2.58 3.38 -1.26 -2.51 115.31 117.73 3hxd h LEU 153 Ca -0.04 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.80 3hxd h LEU 153 Cb 0.34 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3hxd h LEU 153 CO 0.07 0.96 0.22 0.00 0.09 0.00 0.00 178.44 179.79 3hxd h ALA 154 N 1.19 0.56 0.00 1.53 0.00 -0.79 0.20 119.26 121.95 3hxd h ALA 154 Ca 0.28 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 3hxd h ALA 154 Cb 0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hxd h ALA 154 CO -0.03 -0.13 -0.16 -0.07 0.00 0.00 0.00 179.25 178.86 3hxd h LEU 155 N 0.45 0.00 -0.72 0.00 3.38 -1.19 -2.45 115.31 114.78 3hxd h LEU 155 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3hxd h LEU 155 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3hxd h LEU 155 CO -0.14 0.16 -0.29 0.18 0.09 0.00 0.00 178.44 178.45 3hxd n LEU 156 N -3.93 1.41 -1.07 1.67 4.77 -0.84 -4.97 117.00 114.04 3hxd n LEU 156 Ca -0.02 -0.45 -0.09 0.00 -0.03 0.00 0.00 56.01 55.43 3hxd n LEU 156 Cb 0.25 -0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3hxd n LEU 156 CO 0.33 0.26 -0.09 0.61 -1.33 0.00 0.00 177.39 177.17 3hxd n GLY 157 N 1.35 0.04 1.48 -0.72 0.00 -0.12 -4.96 105.19 102.26 3hxd n GLY 157 Ca 0.12 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3hxd n GLY 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hxd n LYS 158 N -1.89 1.33 -0.01 1.61 4.76 0.52 -4.80 118.16 119.68 3hxd n LYS 158 Ca -0.09 -2.99 0.09 0.00 -2.87 0.00 0.00 58.31 52.45 3hxd n LYS 158 Cb 0.57 -1.13 0.51 0.00 -1.84 0.00 0.00 35.03 33.14 3hxd n LYS 158 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3hxd h LEU 159 N 1.42 0.33 0.00 -0.35 6.46 -1.90 -1.58 115.31 119.68 3hxd h LEU 159 Ca -0.05 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 3hxd h LEU 159 Cb 1.45 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.30 3hxd h LEU 159 CO 0.17 0.21 0.00 -0.90 -0.62 0.00 0.00 178.44 177.31 3hxd n ASP 160 N -4.47 0.00 0.12 1.25 3.85 -1.26 -2.80 116.55 113.24 3hxd n ASP 160 Ca 0.06 0.30 0.13 0.00 -0.71 0.00 0.00 54.79 54.57 3hxd n ASP 160 Cb 0.25 -0.36 0.42 0.00 -1.35 0.00 0.00 41.12 40.08 3hxd n ASP 160 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hxd h ALA 161 N 2.25 1.00 -1.52 2.12 0.00 -1.69 -3.45 119.26 117.97 3hxd h ALA 161 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 3hxd h ALA 161 Cb 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3hxd h ALA 161 CO 0.00 0.00 -0.42 0.96 0.00 0.00 0.00 179.25 179.79 3hxd s ILE 162 N -3.17 2.50 -0.81 0.00 -5.25 -1.12 -4.85 121.20 108.49 3hxd s ILE 162 Ca 0.09 -1.47 -0.23 0.00 -0.99 0.00 0.00 60.65 58.04 3hxd s ILE 162 Cb 0.11 -2.97 0.06 0.00 2.95 0.00 0.00 42.46 42.61 3hxd s ILE 162 CO 0.55 0.00 1.20 0.21 -1.79 0.00 0.00 174.94 175.11 3hxd s ASN 163 N -4.05 6.33 0.05 4.36 3.84 -1.26 -4.89 114.94 119.30 3hxd s ASN 163 Ca 0.45 -1.12 -0.18 0.00 0.21 0.00 0.00 52.86 52.22 3hxd s ASN 163 Cb -0.01 -2.49 -0.16 0.00 -0.55 0.00 0.00 41.25 38.04 3hxd s ASN 163 CO 0.26 -1.51 1.27 0.58 -2.79 0.00 0.00 177.10 174.91 3hxd h VAL 164 N 6.16 1.36 -0.53 -5.21 2.07 -1.93 -1.76 116.25 116.40 3hxd h VAL 164 Ca -0.09 -1.68 0.03 0.00 0.82 0.00 0.00 66.70 65.78 3hxd h VAL 164 Cb 1.04 2.07 -0.04 0.00 -1.52 0.00 0.00 31.29 32.84 3hxd h VAL 164 CO 1.26 0.50 0.30 -0.08 0.02 0.00 0.00 177.57 179.57 3hxd h GLU 165 N 0.11 0.57 -0.38 1.57 4.57 -1.99 0.10 114.58 119.13 3hxd h GLU 165 Ca -0.01 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.05 3hxd h GLU 165 Cb 1.00 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.45 3hxd h GLU 165 CO 0.08 0.38 -0.12 0.87 -1.18 0.00 0.00 179.01 179.04 3hxd h LYS 166 N 0.59 0.68 -0.66 1.92 1.79 -1.92 -0.29 116.57 118.69 3hxd h LYS 166 Ca 0.22 -0.22 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 3hxd h LYS 166 Cb 0.07 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.63 3hxd h LYS 166 CO -0.12 0.78 0.20 0.00 -1.08 0.00 0.00 179.45 179.23 3hxd h ALA 167 N 1.25 0.86 -0.12 3.86 0.00 -0.54 -1.24 119.26 123.33 3hxd h ALA 167 Ca 0.11 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hxd h ALA 167 Cb 0.56 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3hxd h ALA 167 CO 0.04 0.54 0.06 0.82 0.00 0.00 0.00 179.25 180.71 3hxd h ILE 168 N 0.95 1.10 -0.84 0.00 2.04 -0.54 -2.29 117.51 117.94 3hxd h ILE 168 Ca 0.21 -0.28 0.09 0.00 1.00 0.00 0.00 64.86 65.87 3hxd h ILE 168 Cb 0.30 1.07 -0.07 0.00 -0.74 0.00 0.00 36.82 37.38 3hxd h ILE 168 CO -0.01 0.09 0.49 -0.08 0.00 0.00 0.00 178.15 178.64 3hxd h GLU 169 N 0.09 0.81 -0.23 2.37 4.81 -0.77 -0.11 114.58 121.55 3hxd h GLU 169 Ca 0.04 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3hxd h GLU 169 Cb 0.09 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3hxd h GLU 169 CO -0.01 0.54 0.05 0.35 -0.73 0.00 0.00 179.01 179.21 3hxd h PHE 170 N 0.84 0.39 -0.53 0.92 3.57 -1.10 -1.86 116.94 119.16 3hxd h PHE 170 Ca 0.39 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.83 3hxd h PHE 170 Cb 0.32 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 3hxd h PHE 170 CO -0.05 0.48 0.26 0.28 -2.23 0.00 0.00 178.31 177.04 3hxd h VAL 171 N 0.19 1.20 -0.01 1.41 2.07 -0.80 -2.17 116.25 118.12 3hxd h VAL 171 Ca 0.07 -0.55 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 3hxd h VAL 171 Cb 0.29 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3hxd h VAL 171 CO 0.00 0.22 -0.20 -0.07 0.02 0.00 0.00 177.57 177.55 3hxd h LEU 172 N 0.71 0.02 -0.45 2.57 3.38 -1.03 -0.93 115.31 119.58 3hxd h LEU 172 Ca 0.18 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3hxd h LEU 172 Cb 0.12 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3hxd h LEU 172 CO -0.02 0.22 0.00 -1.54 0.09 0.00 0.00 178.44 177.19 3hxd n SER 173 N -4.29 0.35 -0.71 -0.43 3.41 -0.70 -1.70 113.62 109.54 3hxd n SER 173 Ca -0.02 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.30 3hxd n SER 173 Cb 0.26 -0.67 0.34 0.00 -0.26 0.00 0.00 64.21 63.88 3hxd n SER 173 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hxd s MET 175 N -1.80 4.83 0.50 0.00 0.00 -0.69 -2.81 119.30 119.34 3hxd s MET 175 Ca 0.34 1.51 0.05 0.00 0.00 0.00 0.00 55.69 57.59 3hxd s MET 175 Cb 0.20 -3.28 -0.00 0.00 0.00 0.00 0.00 34.83 31.74 3hxd s MET 175 CO 0.29 0.48 0.23 -0.80 0.00 0.00 0.00 175.02 175.22 3hxd s ASN 176 N -1.08 4.43 0.52 1.11 0.01 0.62 -4.98 114.94 115.58 3hxd s ASN 176 Ca 0.42 -1.31 0.23 0.00 -0.71 0.00 0.00 52.86 51.48 3hxd s ASN 176 Cb -0.26 0.19 1.35 0.00 0.41 0.00 0.00 41.25 42.94 3hxd s ASN 176 CO 0.33 -0.87 2.03 2.19 -1.51 0.00 0.00 177.10 179.26 3hxd h PHE 177 N 1.11 0.03 -0.21 2.20 -5.15 -1.97 -1.54 116.94 111.42 3hxd h PHE 177 Ca -0.41 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.37 3hxd h PHE 177 Cb 1.29 -0.01 0.00 0.00 0.22 0.00 0.00 35.95 37.45 3hxd h PHE 177 CO 1.03 0.01 0.00 -0.40 -2.00 0.00 0.00 178.31 176.95 3hxd n ASP 178 N -4.42 2.20 0.00 -0.68 5.68 -1.26 -4.93 116.55 113.14 3hxd n ASP 178 Ca 0.07 -1.79 0.00 0.00 -0.50 0.00 0.00 54.79 52.57 3hxd n ASP 178 Cb 0.49 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 3hxd n ASP 178 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hxd n GLY 179 N 1.24 1.14 0.48 6.12 0.00 -0.58 -4.25 105.19 109.34 3hxd n GLY 179 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 3hxd n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hxd n GLY 180 N -2.00 0.27 3.05 -0.02 0.00 -1.26 -4.56 105.19 100.67 3hxd n GLY 180 Ca 0.00 -1.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.00 3hxd n GLY 180 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hxd s PHE 181 N -0.47 0.65 0.24 1.61 0.40 -1.26 -0.27 117.98 118.87 3hxd s PHE 181 Ca 0.09 -0.48 0.00 0.00 -0.60 0.00 0.00 56.93 55.94 3hxd s PHE 181 Cb -0.00 -0.39 0.00 0.00 0.51 0.00 0.00 43.02 43.14 3hxd s PHE 181 CO 0.06 -0.08 0.02 0.41 0.70 0.00 0.00 175.22 176.32 3hxd n GLY 182 N 1.54 3.79 0.16 4.36 0.00 -1.12 -2.62 105.19 111.29 3hxd n GLY 182 Ca -0.22 -2.28 -0.04 0.00 0.00 0.00 0.00 46.02 43.48 3hxd n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hxd s ARG 184 N -3.75 1.13 0.11 0.00 0.52 -1.26 -0.47 118.95 115.23 3hxd s ARG 184 Ca -0.03 -1.26 -0.35 0.00 -0.52 0.00 0.00 55.73 53.57 3hxd s ARG 184 Cb 0.12 0.35 -0.15 0.00 0.52 0.00 0.00 34.95 35.79 3hxd s ARG 184 CO 0.79 -0.40 1.53 -2.30 0.02 0.00 0.00 175.30 174.94 3hxd n PRO 185 N -0.20 1.82 0.00 3.54 -0.02 -1.26 -1.07 135.00 137.80 3hxd n PRO 185 Ca -0.06 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3hxd n PRO 185 Cb 0.63 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 3hxd n PRO 185 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hxd n GLY 186 N 3.24 1.46 3.79 -1.23 0.00 -1.26 -5.05 105.19 106.14 3hxd n GLY 186 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3hxd n GLY 186 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hxd s SER 187 N -2.63 6.96 0.55 1.61 0.01 -0.23 -5.01 113.70 114.95 3hxd s SER 187 Ca 0.00 1.92 -0.20 0.00 1.31 0.00 0.00 55.95 58.98 3hxd s SER 187 Cb 0.00 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 3hxd s SER 187 CO 0.00 -0.34 1.15 -0.70 0.41 0.00 0.00 173.24 173.76 3hxd s GLU 188 N -2.48 3.30 0.38 12.44 2.12 -1.26 -3.85 118.70 129.34 3hxd s GLU 188 Ca 0.56 1.67 -0.28 0.00 0.36 0.00 0.00 54.97 57.29 3hxd s GLU 188 Cb -0.19 -2.01 -0.10 0.00 0.26 0.00 0.00 34.13 32.09 3hxd s GLU 188 CO 0.24 -0.91 1.37 -1.12 -0.54 0.00 0.00 175.26 174.31 3hxd s SER 189 N -1.70 6.44 -0.16 -1.70 0.01 -1.26 -4.08 113.70 111.24 3hxd s SER 189 Ca 0.73 2.82 -0.13 0.00 1.31 0.00 0.00 55.95 60.68 3hxd s SER 189 Cb -0.26 -2.65 0.05 0.00 0.21 0.00 0.00 66.02 63.37 3hxd s SER 189 CO 0.29 -0.78 0.42 -2.28 0.41 0.00 0.00 173.24 171.30 3hxd s HIS 190 N -1.17 -0.52 0.29 2.43 2.46 -1.08 -4.91 115.29 112.79 3hxd s HIS 190 Ca 0.53 1.20 0.02 0.00 0.47 0.00 0.00 55.06 57.28 3hxd s HIS 190 Cb -0.42 0.20 0.61 0.00 -0.13 0.00 0.00 32.58 32.84 3hxd s HIS 190 CO 0.56 -0.27 1.81 0.00 -2.47 0.00 0.00 174.74 174.37 3hxd h ALA 191 N 6.05 1.55 -0.19 1.58 0.00 -1.36 -0.57 119.26 126.32 3hxd h ALA 191 Ca -0.30 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.68 3hxd h ALA 191 Cb 1.18 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3hxd h ALA 191 CO 0.26 0.13 -0.03 0.78 0.00 0.00 0.00 179.25 180.39 3hxd h GLY 192 N 0.91 0.16 1.31 0.00 0.00 -1.89 -0.35 103.07 103.20 3hxd h GLY 192 Ca 0.52 0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.80 3hxd h GLY 192 CO -0.30 -0.06 -0.11 1.46 0.00 0.00 0.00 176.54 177.53 3hxd h GLN 193 N 0.03 0.82 -0.59 4.80 7.50 -1.65 -2.20 115.11 123.81 3hxd h GLN 193 Ca 0.09 -0.28 -0.01 0.00 0.50 0.00 0.00 58.65 58.95 3hxd h GLN 193 Cb 0.13 -0.07 -0.03 0.00 0.05 0.00 0.00 27.48 27.57 3hxd h GLN 193 CO -0.18 0.89 0.34 0.82 -1.50 0.00 0.00 178.83 179.20 3hxd h ILE 194 N 0.74 1.19 -0.34 2.54 2.04 -0.96 -0.12 117.51 122.59 3hxd h ILE 194 Ca 0.12 -0.46 0.02 0.00 1.00 0.00 0.00 64.86 65.55 3hxd h ILE 194 Cb 0.60 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3hxd h ILE 194 CO 0.04 0.20 0.18 0.22 0.00 0.00 0.00 178.15 178.79 3hxd h TYR 195 N 0.80 0.34 -0.60 1.37 3.20 -0.87 0.15 116.97 121.35 3hxd h TYR 195 Ca 0.21 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 3hxd h TYR 195 Cb 0.02 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 3hxd h TYR 195 CO -0.01 0.19 0.31 0.00 -1.64 0.00 0.00 178.16 177.00 3hxd h THR 198 N 0.15 1.26 -0.51 0.00 1.35 -0.69 -0.29 112.91 114.18 3hxd h THR 198 Ca -0.12 -1.16 0.01 0.00 -0.55 0.00 0.00 66.41 64.59 3hxd h THR 198 Cb 1.57 0.93 -0.03 0.00 -1.73 0.00 0.00 68.15 68.89 3hxd h THR 198 CO 0.17 0.41 0.33 1.23 -0.25 0.00 0.00 175.52 177.41 3hxd h GLY 199 N 0.98 0.71 0.65 5.82 0.00 -1.02 -0.10 103.07 110.11 3hxd h GLY 199 Ca 0.14 -0.26 0.05 0.00 0.00 0.00 0.00 47.33 47.26 3hxd h GLY 199 CO 0.04 0.25 0.13 -2.75 0.00 0.00 0.00 176.54 174.21 3hxd h PHE 200 N 0.68 0.23 0.00 5.60 3.04 -0.74 -1.37 116.94 124.38 3hxd h PHE 200 Ca 0.19 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 62.06 3hxd h PHE 200 Cb -0.07 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.38 3hxd h PHE 200 CO -0.04 0.09 -0.45 -0.07 -2.02 0.00 0.00 178.31 175.82 3hxd h LEU 201 N 0.29 0.00 -0.20 0.59 3.38 -0.83 -1.45 115.31 117.08 3hxd h LEU 201 Ca 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 3hxd h LEU 201 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3hxd h LEU 201 CO -0.19 0.45 0.04 0.00 0.09 0.00 0.00 178.44 178.82 3hxd h ALA 202 N 1.55 0.26 -0.72 1.53 0.00 -0.69 0.22 119.26 121.42 3hxd h ALA 202 Ca -0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3hxd h ALA 202 Cb 0.84 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3hxd h ALA 202 CO 0.06 -0.07 0.21 0.82 0.00 0.00 0.00 179.25 180.27 3hxd h ILE 203 N 0.13 1.26 -0.42 0.00 2.04 -0.92 -2.71 117.51 116.89 3hxd h ILE 203 Ca 0.06 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 64.99 3hxd h ILE 203 Cb 0.31 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3hxd h ILE 203 CO 0.00 0.36 0.00 0.35 0.00 0.00 0.00 178.15 178.86 3hxd n THR 204 N -4.26 0.55 -3.48 -0.27 -2.24 -0.58 -4.96 114.28 99.04 3hxd n THR 204 Ca 0.05 -0.57 -0.20 0.00 -2.27 0.00 0.00 64.05 61.06 3hxd n THR 204 Cb 0.24 0.32 0.08 0.00 -2.10 0.00 0.00 70.33 68.87 3hxd n THR 204 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3hxd n SER 205 N 0.76 -4.25 -0.44 3.42 7.64 -0.80 -4.95 113.62 115.00 3hxd n SER 205 Ca 0.15 -0.56 0.07 0.00 1.01 0.00 0.00 58.87 59.54 3hxd n SER 205 Cb 0.37 -4.95 0.14 0.00 -1.01 0.00 0.00 64.21 58.76 3hxd n SER 205 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hxd n GLN 206 N -4.48 1.11 0.30 1.43 1.13 0.71 -4.81 117.38 112.78 3hxd n GLN 206 Ca -0.13 -2.59 0.20 0.00 -1.94 0.00 0.00 57.00 52.54 3hxd n GLN 206 Cb 0.61 -1.28 0.91 0.00 0.11 0.00 0.00 30.24 30.59 3hxd n GLN 206 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3hxd h LEU 207 N 0.44 0.00 -2.07 1.08 3.38 -1.92 -1.76 115.31 114.47 3hxd h LEU 207 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hxd h LEU 207 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3hxd h LEU 207 CO 0.01 0.00 0.00 1.12 0.09 0.00 0.00 178.44 179.66 3hxd h HIS 208 N 0.00 0.00 -0.00 1.13 2.07 -1.93 -2.31 115.15 114.11 3hxd h HIS 208 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3hxd h HIS 208 Cb 0.30 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.28 3hxd h HIS 208 CO 0.00 0.00 -0.14 1.04 -3.07 0.00 0.00 177.93 175.76 3hxd n GLN 209 N -2.90 0.03 -2.97 5.12 6.02 -0.66 -4.83 117.38 117.19 3hxd n GLN 209 Ca -0.01 -0.01 -0.38 0.00 -0.01 0.00 0.00 57.00 56.59 3hxd n GLN 209 Cb 0.16 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.86 3hxd n GLN 209 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hxd s VAL 210 N -2.97 4.38 -0.96 5.09 1.01 -0.87 -5.00 120.40 121.07 3hxd s VAL 210 Ca 0.14 1.63 -0.20 0.00 0.00 0.00 0.00 61.98 63.56 3hxd s VAL 210 Cb 0.19 -4.05 0.11 0.00 0.00 0.00 0.00 36.38 32.63 3hxd s VAL 210 CO 0.57 0.37 1.21 0.21 0.00 0.00 0.00 175.10 177.47 3hxd s ASN 211 N -1.37 6.61 0.28 3.32 3.84 -1.26 -4.88 114.94 121.49 3hxd s ASN 211 Ca 0.40 -1.94 0.03 0.00 0.21 0.00 0.00 52.86 51.56 3hxd s ASN 211 Cb -0.21 -2.44 0.42 0.00 -0.55 0.00 0.00 41.25 38.47 3hxd s ASN 211 CO 0.25 -1.16 1.72 0.28 -2.79 0.00 0.00 177.10 175.40 3hxd h SER 212 N 8.99 0.46 -0.37 -4.21 0.02 -1.92 -0.52 113.55 116.01 3hxd h SER 212 Ca 0.17 -0.16 -0.11 0.00 -0.84 0.00 0.00 61.79 60.85 3hxd h SER 212 Cb 1.02 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 3hxd h SER 212 CO 1.19 0.72 -0.21 0.44 -1.14 0.00 0.00 176.83 177.83 3hxd h ASP 213 N 0.41 0.82 0.04 3.07 3.45 -1.94 0.13 116.42 122.40 3hxd h ASP 213 Ca 0.06 -0.42 -0.00 0.00 0.43 0.00 0.00 57.03 57.10 3hxd h ASP 213 Cb 0.67 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 39.22 3hxd h ASP 213 CO 0.05 1.06 -0.02 0.25 -1.57 0.00 0.00 179.24 179.01 3hxd h LEU 214 N 0.58 -0.05 -0.72 1.55 5.85 -1.83 -2.16 115.31 118.54 3hxd h LEU 214 Ca 0.08 -0.46 -0.09 0.00 0.84 0.00 0.00 57.88 58.24 3hxd h LEU 214 Cb 0.76 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 3hxd h LEU 214 CO 0.06 0.45 -0.05 0.25 -0.34 0.00 0.00 178.44 178.81 3hxd h LEU 215 N -0.56 0.92 -0.94 2.25 5.85 -1.18 -2.27 115.31 119.36 3hxd h LEU 215 Ca -0.01 -0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.52 3hxd h LEU 215 Cb 0.51 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.22 3hxd h LEU 215 CO 0.01 1.00 0.60 1.23 -0.34 0.00 0.00 178.44 180.94 3hxd h GLY 216 N 0.98 1.45 0.76 3.75 0.00 -0.79 0.05 103.07 109.28 3hxd h GLY 216 Ca 0.15 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 3hxd h GLY 216 CO 0.03 0.28 0.00 -0.25 0.00 0.00 0.00 176.54 176.60 3hxd h TRP 217 N 1.06 0.19 -0.95 5.60 7.01 -1.01 -1.05 115.95 126.81 3hxd h TRP 217 Ca 0.42 -0.03 0.10 0.00 2.11 0.00 0.00 58.89 61.49 3hxd h TRP 217 Cb 0.22 -0.05 -0.08 0.00 -2.10 0.00 0.00 29.16 27.16 3hxd h TRP 217 CO -0.02 0.42 0.59 2.35 -2.79 0.00 0.00 178.44 178.99 3hxd h TRP 218 N -0.10 1.07 -0.12 2.65 7.01 -0.99 -1.64 115.95 123.84 3hxd h TRP 218 Ca 0.03 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.02 3hxd h TRP 218 Cb 0.34 -0.34 -0.00 0.00 -2.10 0.00 0.00 29.16 27.06 3hxd h TRP 218 CO 0.03 0.46 -0.08 -0.07 -2.79 0.00 0.00 178.44 175.99 3hxd h LEU 219 N 0.97 0.27 -1.70 0.65 3.38 -0.85 -3.13 115.31 114.91 3hxd h LEU 219 Ca 0.45 -0.44 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3hxd h LEU 219 Cb 0.38 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3hxd h LEU 219 CO -0.24 0.65 -0.17 0.00 0.09 0.00 0.00 178.44 178.77 3hxd n GLU 221 N -3.73 0.13 0.18 0.00 -0.58 -0.63 -2.29 120.64 113.71 3hxd n GLU 221 Ca -0.02 0.17 0.14 0.00 -0.42 0.00 0.00 57.16 57.03 3hxd n GLU 221 Cb 0.29 -1.50 0.60 0.00 -0.57 0.00 0.00 31.44 30.25 3hxd n GLU 221 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hxd h ARG 222 N 0.00 0.00 -6.12 3.49 2.47 -1.21 -3.44 114.38 109.57 3hxd h ARG 222 Ca 0.00 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 58.15 3hxd h ARG 222 Cb 0.21 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.48 3hxd h ARG 222 CO 0.00 0.00 0.57 -1.14 0.56 0.00 0.00 179.97 179.96 3hxd s GLN 223 N -3.49 4.34 0.40 0.04 0.74 -0.97 -1.32 119.66 119.40 3hxd s GLN 223 Ca 0.02 1.27 0.03 0.00 0.05 0.00 0.00 55.36 56.73 3hxd s GLN 223 Cb 0.09 -3.58 -0.00 0.00 1.10 0.00 0.00 33.01 30.62 3hxd s GLN 223 CO 0.40 -0.40 0.58 -0.51 -0.55 0.00 0.00 175.29 174.81 3hxd s LEU 224 N 2.37 3.79 0.53 3.68 1.43 0.06 -4.96 118.68 125.58 3hxd s LEU 224 Ca 0.44 0.05 0.25 0.00 -1.03 0.00 0.00 54.13 53.84 3hxd s LEU 224 Cb -0.17 -2.95 1.38 0.00 0.03 0.00 0.00 46.19 44.48 3hxd s LEU 224 CO 0.13 -0.59 1.99 -0.65 0.23 0.00 0.00 176.35 177.47 3hxd h PRO 225 N 0.63 0.01 0.00 1.29 0.11 -1.95 0.35 132.00 132.44 3hxd h PRO 225 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hxd h PRO 225 Cb 1.26 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3hxd h PRO 225 CO 0.55 0.01 0.00 0.66 -0.21 0.00 0.00 178.00 179.01 3hxd h SER 226 N 0.02 0.00 0.00 -2.05 4.64 -1.95 -3.46 113.55 110.75 3hxd h SER 226 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3hxd h SER 226 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 3hxd h SER 226 CO -0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 3hxd n GLY 227 N -0.94 3.44 3.81 -0.77 0.00 0.12 -4.59 105.19 106.27 3hxd n GLY 227 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3hxd n GLY 227 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hxd s GLY 228 N -2.96 1.79 -0.10 -0.02 0.00 -1.26 -3.67 107.32 101.10 3hxd s GLY 228 Ca 0.00 0.17 -0.03 0.00 0.00 0.00 0.00 44.72 44.86 3hxd s GLY 228 CO 0.00 0.48 0.01 1.08 0.00 0.00 0.00 173.10 174.67 3hxd s LEU 229 N -5.25 3.63 0.55 0.66 1.43 -1.26 -0.76 118.68 117.68 3hxd s LEU 229 Ca 0.60 0.14 0.07 0.00 -1.03 0.00 0.00 54.13 53.91 3hxd s LEU 229 Cb -0.14 -1.84 0.07 0.00 0.03 0.00 0.00 46.19 44.30 3hxd s LEU 229 CO 0.50 0.35 0.76 0.54 0.23 0.00 0.00 176.35 178.73 3hxd s ASN 230 N -0.72 5.15 -0.00 2.29 2.20 -0.43 -1.97 114.94 121.45 3hxd s ASN 230 Ca 0.11 -0.60 0.21 0.00 -0.94 0.00 0.00 52.86 51.65 3hxd s ASN 230 Cb -0.12 -0.09 -0.23 0.00 -2.00 0.00 0.00 41.25 38.82 3hxd s ASN 230 CO 0.02 -1.25 0.82 0.61 -2.94 0.00 0.00 177.10 174.36 3hxd n GLY 231 N -2.24 -1.01 3.72 0.45 0.00 -1.26 -4.83 105.19 100.02 3hxd n GLY 231 Ca 0.13 -0.57 -0.03 0.00 0.00 0.00 0.00 46.02 45.55 3hxd n GLY 231 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hxd s ARG 232 N -3.12 1.08 0.48 1.61 1.70 -1.26 -0.92 118.95 118.51 3hxd s ARG 232 Ca 0.04 -0.58 -0.23 0.00 -0.47 0.00 0.00 55.73 54.49 3hxd s ARG 232 Cb 0.16 0.38 -0.08 0.00 -0.57 0.00 0.00 34.95 34.83 3hxd s ARG 232 CO 0.87 -0.49 1.14 -2.30 -1.08 0.00 0.00 175.30 173.44 3hxd n PRO 233 N -0.45 1.50 -1.80 3.89 -0.02 -1.26 -2.90 135.00 133.97 3hxd n PRO 233 Ca -0.06 0.55 -0.13 0.00 -2.02 0.00 0.00 63.50 61.83 3hxd n PRO 233 Cb 0.61 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 3hxd n PRO 233 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3hxd n GLU 234 N -0.30 -0.98 -4.33 -0.52 -0.58 -1.26 -5.02 120.64 107.66 3hxd n GLU 234 Ca 0.09 0.81 -0.24 0.00 -0.42 0.00 0.00 57.16 57.41 3hxd n GLU 234 Cb 0.42 -4.95 -0.08 0.00 -0.57 0.00 0.00 31.44 26.26 3hxd n GLU 234 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3hxd s LYS 235 N -3.85 2.15 0.47 3.49 -0.14 -1.14 -4.95 119.74 115.77 3hxd s LYS 235 Ca 0.00 -1.47 -0.22 0.00 -1.36 0.00 0.00 55.97 52.92 3hxd s LYS 235 Cb 0.00 -2.08 -0.07 0.00 -1.68 0.00 0.00 37.83 33.99 3hxd s LYS 235 CO 0.00 0.36 1.11 -0.51 -0.76 0.00 0.00 175.35 175.56 3hxd s LEU 236 N -3.56 3.94 0.74 3.17 2.01 -1.26 -4.79 118.68 118.93 3hxd s LEU 236 Ca 0.30 2.16 -0.11 0.00 0.01 0.00 0.00 54.13 56.49 3hxd s LEU 236 Cb -0.06 -4.37 0.04 0.00 0.01 0.00 0.00 46.19 41.81 3hxd s LEU 236 CO 0.18 -0.88 1.09 -2.16 1.01 0.00 0.00 176.35 175.59 3hxd s PRO 237 N -2.89 2.47 -0.18 1.29 0.04 -1.26 -4.57 135.00 129.90 3hxd s PRO 237 Ca 0.65 1.16 -0.19 0.00 0.04 0.00 0.00 61.00 62.66 3hxd s PRO 237 Cb -0.24 -1.92 0.05 0.00 0.04 0.00 0.00 34.50 32.43 3hxd s PRO 237 CO 0.29 -1.48 0.53 0.34 0.04 0.00 0.00 177.00 176.73 3hxd s ASP 238 N -3.35 -0.55 0.48 6.66 -1.08 -0.83 -4.83 116.67 113.17 3hxd s ASP 238 Ca 0.61 1.00 0.20 0.00 -0.52 0.00 0.00 52.55 53.85 3hxd s ASP 238 Cb -0.17 1.02 1.19 0.00 -1.46 0.00 0.00 42.92 43.50 3hxd s ASP 238 CO 0.54 -0.23 2.02 -0.37 0.52 0.00 0.00 175.17 177.65 3hxd h VAL 239 N 4.18 0.90 0.00 1.11 -1.51 -1.22 -2.70 116.25 117.01 3hxd h VAL 239 Ca -0.28 -0.61 -0.09 0.00 -1.23 0.00 0.00 66.70 64.50 3hxd h VAL 239 Cb 1.17 1.35 -0.01 0.00 -2.13 0.00 0.00 31.29 31.67 3hxd h VAL 239 CO 0.19 0.16 -0.41 0.00 -1.23 0.00 0.00 177.57 176.28 3hxd h TYR 241 N 0.00 0.00 -0.59 0.00 -1.99 -1.76 0.71 116.97 113.33 3hxd h TYR 241 Ca -0.00 0.00 0.12 0.00 2.00 0.00 0.00 58.73 60.84 3hxd h TYR 241 Cb 0.86 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 39.48 3hxd h TYR 241 CO 0.00 0.09 -0.17 1.03 -0.00 0.00 0.00 178.16 179.11 3hxd h SER 242 N 0.00 -0.62 0.25 3.88 0.87 -1.30 0.13 113.55 116.76 3hxd h SER 242 Ca -0.00 0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 3hxd h SER 242 Cb 0.65 0.39 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 3hxd h SER 242 CO 0.01 -0.21 -0.12 -0.25 -0.53 0.00 0.00 176.83 175.73 3hxd h TRP 243 N -0.02 -0.31 -0.57 2.24 2.91 -0.97 -1.73 115.95 117.50 3hxd h TRP 243 Ca 0.28 -0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.32 3hxd h TRP 243 Cb 0.45 0.10 -0.04 0.00 -0.51 0.00 0.00 29.16 29.17 3hxd h TRP 243 CO -0.51 0.03 0.35 -1.49 -1.03 0.00 0.00 178.44 175.80 3hxd h TRP 244 N -0.69 0.65 0.01 2.65 -0.00 -0.91 0.13 115.95 117.79 3hxd h TRP 244 Ca -0.03 0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 58.87 3hxd h TRP 244 Cb 0.48 -0.21 0.00 0.00 -0.00 0.00 0.00 29.16 29.43 3hxd h TRP 244 CO 0.03 0.38 -0.01 0.28 -0.00 0.00 0.00 178.44 179.12 3hxd h VAL 245 N 0.69 1.53 -0.91 1.49 2.07 -0.88 -3.05 116.25 117.19 3hxd h VAL 245 Ca 0.23 -1.74 0.01 0.00 0.82 0.00 0.00 66.70 66.01 3hxd h VAL 245 Cb 0.01 2.69 -0.04 0.00 -1.52 0.00 0.00 31.29 32.42 3hxd h VAL 245 CO -0.09 0.44 0.60 0.25 0.02 0.00 0.00 177.57 178.79 3hxd h LEU 246 N -0.78 1.06 -0.44 2.57 5.85 -1.23 0.02 115.31 122.36 3hxd h LEU 246 Ca -0.00 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 3hxd h LEU 246 Cb 0.74 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 3hxd h LEU 246 CO 0.00 0.77 0.11 0.00 -0.34 0.00 0.00 178.44 178.98 3hxd h ALA 247 N 1.33 0.58 -0.17 1.25 0.00 -0.88 -0.54 119.26 120.83 3hxd h ALA 247 Ca 0.33 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3hxd h ALA 247 Cb -0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3hxd h ALA 247 CO -0.07 0.26 0.09 0.77 0.00 0.00 0.00 179.25 180.31 3hxd h SER 248 N 0.58 0.15 -0.58 0.00 0.02 -1.27 -0.22 113.55 112.23 3hxd h SER 248 Ca 0.14 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.15 3hxd h SER 248 Cb 0.32 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.78 3hxd h SER 248 CO 0.00 0.11 0.29 -0.07 -1.14 0.00 0.00 176.83 176.03 3hxd h LEU 249 N 0.19 0.41 -0.57 5.07 3.38 -0.89 -1.69 115.31 121.22 3hxd h LEU 249 Ca 0.06 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3hxd h LEU 249 Cb -0.00 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3hxd h LEU 249 CO -0.03 0.27 0.33 0.50 0.09 0.00 0.00 178.44 179.60 3hxd h LYS 250 N 0.55 0.78 -0.99 1.13 1.63 -0.81 0.18 116.57 119.03 3hxd h LYS 250 Ca 0.27 -0.08 0.05 0.00 -0.85 0.00 0.00 60.65 60.04 3hxd h LYS 250 Cb 0.20 -0.16 -0.06 0.00 -0.60 0.00 0.00 32.23 31.61 3hxd h LYS 250 CO -0.19 0.57 0.65 0.82 -3.45 0.00 0.00 179.45 177.85 3hxd h ILE 251 N 0.77 1.14 -0.51 2.00 2.04 -0.52 -2.35 117.51 120.08 3hxd h ILE 251 Ca 0.20 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3hxd h ILE 251 Cb 0.00 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 35.90 3hxd h ILE 251 CO -0.04 0.22 0.00 2.30 0.00 0.00 0.00 178.15 180.64 3hxd n ILE 252 N -4.46 0.72 -1.69 -0.67 -5.35 -0.68 -1.23 119.36 106.00 3hxd n ILE 252 Ca 0.14 -0.69 -0.04 0.00 -0.27 0.00 0.00 62.75 61.88 3hxd n ILE 252 Cb 0.13 0.32 -0.01 0.00 -1.74 0.00 0.00 39.64 38.34 3hxd n ILE 252 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hxd n GLY 253 N 1.29 0.40 0.53 3.28 0.00 -0.63 -4.57 105.19 105.48 3hxd n GLY 253 Ca 0.17 -0.78 0.06 0.00 0.00 0.00 0.00 46.02 45.47 3hxd n GLY 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hxd n ARG 254 N -2.01 0.83 -0.01 1.61 5.12 0.53 -4.72 116.66 118.02 3hxd n ARG 254 Ca -0.05 -2.27 0.13 0.00 -1.93 0.00 0.00 57.85 53.73 3hxd n ARG 254 Cb 0.38 -1.04 0.57 0.00 -1.16 0.00 0.00 32.46 31.20 3hxd n ARG 254 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3hxd h LEU 255 N 0.40 0.22 0.00 0.55 5.85 -1.87 -1.23 115.31 119.24 3hxd h LEU 255 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3hxd h LEU 255 Cb 1.24 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3hxd h LEU 255 CO 0.02 0.14 0.00 0.00 -0.34 0.00 0.00 178.44 178.25 3hxd n HIS 256 N -4.46 0.00 0.95 1.25 1.44 -1.26 -3.00 115.22 110.15 3hxd n HIS 256 Ca 0.07 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.90 3hxd n HIS 256 Cb 0.37 -0.37 0.54 0.00 0.12 0.00 0.00 29.99 30.65 3hxd n HIS 256 CO 0.00 0.00 0.00 0.91 -2.81 0.00 0.00 176.34 174.44 3hxd n TRP 257 N -1.37 0.00 -4.20 -1.40 7.02 -0.46 -4.75 117.44 112.28 3hxd n TRP 257 Ca 0.05 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 56.30 3hxd n TRP 257 Cb 0.13 -0.38 -0.06 0.00 -2.42 0.00 0.00 31.31 28.57 3hxd n TRP 257 CO 0.00 0.00 0.00 0.96 -2.02 0.00 0.00 177.69 176.63 3hxd s ILE 258 N -2.77 3.95 -0.62 -0.99 -5.25 -1.16 -4.84 121.20 109.52 3hxd s ILE 258 Ca 0.17 -1.60 -0.28 0.00 -0.99 0.00 0.00 60.65 57.95 3hxd s ILE 258 Cb 0.15 -3.10 0.03 0.00 2.95 0.00 0.00 42.46 42.49 3hxd s ILE 258 CO 0.38 -0.32 1.20 -0.62 -1.79 0.00 0.00 174.94 173.79 3hxd s ASP 259 N -3.63 6.36 0.25 4.36 -1.08 -1.26 -4.89 116.67 116.78 3hxd s ASP 259 Ca 0.31 -0.08 -0.00 0.00 -0.52 0.00 0.00 52.55 52.26 3hxd s ASP 259 Cb -0.08 -2.55 0.30 0.00 -1.46 0.00 0.00 42.92 39.14 3hxd s ASP 259 CO 0.22 -1.57 1.66 0.03 0.52 0.00 0.00 175.17 176.03 3hxd h ARG 260 N 9.67 0.55 -0.24 4.34 -0.00 -1.92 -2.21 114.38 124.57 3hxd h ARG 260 Ca -0.26 -0.24 -0.17 0.00 -0.50 0.00 0.00 59.98 58.81 3hxd h ARG 260 Cb 1.06 -0.02 0.00 0.00 0.00 0.00 0.00 29.97 31.01 3hxd h ARG 260 CO 1.21 0.80 -0.51 0.93 0.00 0.00 0.00 179.97 182.39 3hxd h GLU 261 N 0.48 0.78 -0.63 0.04 4.39 -1.99 -1.01 114.58 116.63 3hxd h GLU 261 Ca 0.06 -0.51 -0.06 0.00 0.34 0.00 0.00 59.36 59.18 3hxd h GLU 261 Cb 0.77 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.46 3hxd h GLU 261 CO 0.06 1.14 0.15 0.87 -1.16 0.00 0.00 179.01 180.07 3hxd h LYS 262 N 0.53 1.00 -0.35 2.33 1.57 -1.89 -1.83 116.57 117.92 3hxd h LYS 262 Ca 0.01 -0.22 -0.10 0.00 -1.87 0.00 0.00 60.65 58.46 3hxd h LYS 262 Cb 1.12 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 3hxd h LYS 262 CO 0.11 0.89 -0.18 1.25 -0.57 0.00 0.00 179.45 180.95 3hxd h LEU 263 N 0.95 0.76 -0.65 2.94 5.85 -1.36 -2.22 115.31 121.58 3hxd h LEU 263 Ca 0.20 -0.41 0.05 0.00 0.84 0.00 0.00 57.88 58.56 3hxd h LEU 263 Cb 0.34 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 3hxd h LEU 263 CO 0.00 1.00 0.38 -0.09 -0.34 0.00 0.00 178.44 179.39 3hxd h ARG 264 N 0.52 0.69 -0.36 1.25 2.43 -0.99 -1.04 114.38 116.88 3hxd h ARG 264 Ca 0.08 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 3hxd h ARG 264 Cb 0.72 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 3hxd h ARG 264 CO 0.05 0.46 0.02 0.77 -1.51 0.00 0.00 179.97 179.76 3hxd h SER 265 N 0.71 0.52 -0.24 -3.80 0.02 -1.24 -0.97 113.55 108.56 3hxd h SER 265 Ca 0.28 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 61.07 3hxd h SER 265 Cb 0.13 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 3hxd h SER 265 CO -0.15 0.58 -0.11 0.15 -1.14 0.00 0.00 176.83 176.15 3hxd h PHE 266 N 0.53 0.57 -0.32 3.45 3.57 -0.74 -1.96 116.94 122.05 3hxd h PHE 266 Ca 0.12 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 3hxd h PHE 266 Cb 0.32 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 3hxd h PHE 266 CO 0.01 0.76 0.15 0.82 -2.23 0.00 0.00 178.31 177.83 3hxd h ILE 267 N 0.22 1.16 -0.33 1.41 2.04 -0.96 -2.50 117.51 118.55 3hxd h ILE 267 Ca 0.05 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 3hxd h ILE 267 Cb 0.61 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 3hxd h ILE 267 CO 0.03 0.17 0.13 -0.07 0.00 0.00 0.00 178.15 178.40 3hxd h LEU 268 N 0.38 0.41 -0.93 1.44 3.38 -1.20 -1.52 115.31 117.28 3hxd h LEU 268 Ca 0.11 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hxd h LEU 268 Cb 0.12 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3hxd h LEU 268 CO -0.01 0.39 0.00 0.00 0.09 0.00 0.00 178.44 178.90 3hxd h ALA 269 N 1.68 1.00 -0.00 1.53 0.00 -0.91 -2.66 119.26 119.89 3hxd h ALA 269 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hxd h ALA 269 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3hxd h ALA 269 CO -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 179.25 179.08 3hxd s GLN 271 N -2.97 3.59 -0.40 0.00 -0.21 -1.00 -1.43 119.66 117.23 3hxd s GLN 271 Ca 0.14 1.93 -0.17 0.00 0.02 0.00 0.00 55.36 57.28 3hxd s GLN 271 Cb 0.19 -2.39 0.01 0.00 1.00 0.00 0.00 33.01 31.82 3hxd s GLN 271 CO 0.58 -0.73 0.41 0.34 -2.12 0.00 0.00 175.29 173.76 3hxd s ASP 272 N -1.20 6.19 0.57 5.90 3.68 -0.54 -4.77 116.67 126.50 3hxd s ASP 272 Ca 0.65 -0.59 0.35 0.00 2.13 0.00 0.00 52.55 55.09 3hxd s ASP 272 Cb -0.33 -2.21 1.67 0.00 -1.45 0.00 0.00 42.92 40.60 3hxd s ASP 272 CO 0.39 -0.52 2.11 1.05 0.13 0.00 0.00 175.17 178.34 3hxd h GLU 273 N 8.66 0.00 0.00 4.34 4.11 -1.90 0.54 114.58 130.34 3hxd h GLU 273 Ca -0.27 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 58.94 3hxd h GLU 273 Cb 1.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 3hxd h GLU 273 CO 0.77 0.04 -1.21 1.05 0.07 0.00 0.00 179.01 179.73 3hxd h GLU 274 N 0.00 0.01 0.00 1.06 4.11 -1.98 -3.40 114.58 114.38 3hxd h GLU 274 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 3hxd h GLU 274 Cb 0.34 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3hxd h GLU 274 CO 0.01 1.01 -1.36 0.25 0.07 0.00 0.00 179.01 178.98 3hxd n THR 275 N -4.42 0.37 -0.34 -1.06 -2.24 -1.23 -5.10 114.28 100.27 3hxd n THR 275 Ca -0.31 -0.51 0.05 0.00 -2.27 0.00 0.00 64.05 61.00 3hxd n THR 275 Cb 0.68 -0.19 -0.01 0.00 -2.10 0.00 0.00 70.33 68.71 3hxd n THR 275 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hxd n GLY 276 N 1.22 -1.68 0.00 3.38 0.00 0.18 -4.52 105.19 103.77 3hxd n GLY 276 Ca -0.01 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.57 3hxd n GLY 276 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hxd n GLY 277 N -2.20 -1.00 3.63 -0.02 0.00 -1.26 -4.50 105.19 99.85 3hxd n GLY 277 Ca -0.00 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 3hxd n GLY 277 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hxd s PHE 278 N -2.98 2.90 0.43 1.61 0.40 -1.26 -1.46 117.98 117.60 3hxd s PHE 278 Ca 0.00 -0.06 0.08 0.00 -0.60 0.00 0.00 56.93 56.34 3hxd s PHE 278 Cb 0.00 -1.52 -0.01 0.00 0.51 0.00 0.00 43.02 41.99 3hxd s PHE 278 CO 0.00 0.44 0.42 0.00 0.70 0.00 0.00 175.22 176.78 3hxd s ALA 279 N -1.21 4.16 0.33 5.36 0.00 -0.52 -2.24 121.76 127.65 3hxd s ALA 279 Ca 0.22 -1.84 0.02 0.00 0.00 0.00 0.00 51.96 50.37 3hxd s ALA 279 Cb -0.11 -1.11 0.58 0.00 0.00 0.00 0.00 23.12 22.48 3hxd s ALA 279 CO 0.14 -0.26 1.91 0.38 0.00 0.00 0.00 175.76 177.94 3hxd h ASP 280 N 0.94 0.64 -5.15 0.00 -0.00 -1.89 -3.42 116.42 107.54 3hxd h ASP 280 Ca -0.41 -0.08 -0.09 0.00 -0.00 0.00 0.00 57.03 56.46 3hxd h ASP 280 Cb 1.27 -0.16 -0.14 0.00 -0.00 0.00 0.00 39.33 40.29 3hxd h ASP 280 CO 0.55 0.59 -0.36 0.00 -0.00 0.00 0.00 179.24 180.02 3hxd s ARG 281 N -5.30 0.84 0.21 4.15 1.70 -1.26 -0.81 118.95 118.48 3hxd s ARG 281 Ca -0.09 -0.93 -0.31 0.00 -0.47 0.00 0.00 55.73 53.93 3hxd s ARG 281 Cb 0.16 0.34 -0.15 0.00 -0.57 0.00 0.00 34.95 34.73 3hxd s ARG 281 CO 0.77 -0.27 1.08 -2.30 -1.08 0.00 0.00 175.30 173.50 3hxd n PRO 282 N -0.02 1.17 0.00 3.89 -0.02 -1.26 -1.65 135.00 137.11 3hxd n PRO 282 Ca -0.15 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3hxd n PRO 282 Cb 0.62 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 3hxd n PRO 282 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hxd n GLY 283 N 1.75 2.74 3.91 -1.23 0.00 -1.26 -5.02 105.19 106.08 3hxd n GLY 283 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 3hxd n GLY 283 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hxd s ASP 284 N -3.25 4.26 0.13 1.61 -0.00 -0.66 -5.02 116.67 113.74 3hxd s ASP 284 Ca 0.00 0.62 -0.30 0.00 -0.00 0.00 0.00 52.55 52.87 3hxd s ASP 284 Cb 0.00 -1.04 -0.07 0.00 -0.00 0.00 0.00 42.92 41.81 3hxd s ASP 284 CO 0.00 -2.03 1.21 -0.32 -0.00 0.00 0.00 175.17 174.03 3hxd s MET 285 N -5.59 4.46 0.77 8.23 -2.45 -1.26 -4.64 119.30 118.81 3hxd s MET 285 Ca 0.64 1.84 -0.11 0.00 -1.25 0.00 0.00 55.69 56.81 3hxd s MET 285 Cb -0.09 -3.28 0.05 0.00 1.25 0.00 0.00 34.83 32.76 3hxd s MET 285 CO 0.49 -0.18 1.09 0.14 1.05 0.00 0.00 175.02 177.61 3hxd s VAL 286 N 0.48 3.28 0.15 10.11 -7.23 -1.26 -4.53 120.40 121.39 3hxd s VAL 286 Ca 0.56 0.41 -0.20 0.00 -1.81 0.00 0.00 61.98 60.94 3hxd s VAL 286 Cb -0.32 -3.18 0.05 0.00 0.56 0.00 0.00 36.38 33.50 3hxd s VAL 286 CO 0.33 -0.54 0.52 1.51 -0.31 0.00 0.00 175.10 176.61 3hxd s ASP 287 N -3.91 -0.42 0.41 4.85 1.47 -0.95 -4.94 116.67 113.18 3hxd s ASP 287 Ca 0.60 -0.16 0.08 0.00 1.18 0.00 0.00 52.55 54.25 3hxd s ASP 287 Cb -0.14 0.55 0.87 0.00 -0.34 0.00 0.00 42.92 43.86 3hxd s ASP 287 CO 0.54 -0.94 2.04 -0.65 0.68 0.00 0.00 175.17 176.85 3hxd h PRO 288 N 2.15 0.55 0.26 2.11 0.11 -1.98 -1.97 132.00 133.22 3hxd h PRO 288 Ca -0.33 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 3hxd h PRO 288 Cb 1.29 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hxd h PRO 288 CO 0.41 0.36 -0.12 0.35 -0.21 0.00 0.00 178.00 178.79 3hxd h PHE 289 N 0.56 -0.32 0.00 0.65 3.04 -1.94 -1.28 116.94 117.65 3hxd h PHE 289 Ca 0.18 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.10 3hxd h PHE 289 Cb 0.04 0.11 -0.00 0.00 2.56 0.00 0.00 35.95 38.66 3hxd h PHE 289 CO -0.00 -0.19 -0.14 0.45 -2.02 0.00 0.00 178.31 176.41 3hxd h HIS 290 N -0.36 0.00 -0.09 0.41 3.86 -1.78 -2.41 115.15 114.78 3hxd h HIS 290 Ca -0.04 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 3hxd h HIS 290 Cb 0.28 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.74 3hxd h HIS 290 CO -0.05 0.14 -0.03 1.15 0.86 0.00 0.00 177.93 179.99 3hxd h THR 291 N 0.00 1.31 0.01 2.45 2.02 -1.02 0.12 112.91 117.80 3hxd h THR 291 Ca -0.00 -0.99 0.02 0.00 0.77 0.00 0.00 66.41 66.21 3hxd h THR 291 Cb 0.75 1.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.92 3hxd h THR 291 CO 0.02 0.28 -0.18 0.25 0.37 0.00 0.00 175.52 176.25 3hxd h LEU 292 N -0.18 -0.53 -0.79 2.58 5.85 -1.10 -2.02 115.31 119.13 3hxd h LEU 292 Ca 0.02 0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.69 3hxd h LEU 292 Cb 0.45 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 3hxd h LEU 292 CO 0.01 -0.25 -0.58 -0.26 -0.34 0.00 0.00 178.44 177.02 3hxd h PHE 293 N -0.30 0.09 -0.35 1.25 0.04 -1.41 0.10 116.94 116.36 3hxd h PHE 293 Ca 0.05 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 3hxd h PHE 293 Cb 0.37 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 3hxd h PHE 293 CO -0.22 0.63 0.17 0.78 -0.60 0.00 0.00 178.31 179.07 3hxd h GLY 294 N 1.65 0.54 1.11 -1.45 0.00 -0.95 -0.64 103.07 103.33 3hxd h GLY 294 Ca -0.00 -0.27 -0.16 0.00 0.00 0.00 0.00 47.33 46.89 3hxd h GLY 294 CO 0.08 0.26 -0.41 -2.22 0.00 0.00 0.00 176.54 174.24 3hxd h ILE 295 N 0.43 1.28 -0.65 2.60 1.08 -1.07 -2.46 117.51 118.71 3hxd h ILE 295 Ca 0.12 -1.59 -0.08 0.00 -0.39 0.00 0.00 64.86 62.92 3hxd h ILE 295 Cb 0.12 1.48 -0.03 0.00 -3.07 0.00 0.00 36.82 35.33 3hxd h ILE 295 CO -0.01 0.53 0.11 0.00 -0.69 0.00 0.00 178.15 178.08 3hxd h ALA 296 N 0.74 0.87 -0.38 1.87 0.00 -0.80 -1.34 119.26 120.21 3hxd h ALA 296 Ca 0.05 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.72 3hxd h ALA 296 Cb 1.01 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3hxd h ALA 296 CO 0.10 0.63 0.19 0.78 0.00 0.00 0.00 179.25 180.95 3hxd h GLY 297 N 1.00 0.52 1.17 0.00 0.00 -1.03 -1.72 103.07 102.99 3hxd h GLY 297 Ca 0.20 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 3hxd h GLY 297 CO 0.01 0.11 0.51 1.41 0.00 0.00 0.00 176.54 178.57 3hxd h LEU 298 N 0.40 0.97 -0.28 3.11 3.38 -1.22 -1.64 115.31 120.04 3hxd h LEU 298 Ca 0.16 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3hxd h LEU 298 Cb 0.06 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3hxd h LEU 298 CO -0.10 0.74 0.06 -1.28 0.09 0.00 0.00 178.44 177.94 3hxd h SER 299 N 1.13 0.43 -0.10 -0.43 0.87 -0.93 -1.94 113.55 112.59 3hxd h SER 299 Ca 0.30 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 3hxd h SER 299 Cb -0.07 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 3hxd h SER 299 CO -0.06 0.56 0.04 -0.07 -0.53 0.00 0.00 176.83 176.77 3hxd h LEU 300 N 0.28 0.18 0.00 2.23 3.38 -1.04 -0.55 115.31 119.78 3hxd h LEU 300 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hxd h LEU 300 Cb 0.30 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3hxd h LEU 300 CO 0.00 0.19 0.00 0.18 0.09 0.00 0.00 178.44 178.90 3hxd n LEU 301 N -4.45 0.00 -0.00 1.67 4.77 -0.64 -4.91 117.00 113.44 3hxd n LEU 301 Ca -0.01 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 3hxd n LEU 301 Cb 0.13 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3hxd n LEU 301 CO 0.35 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3hxd n GLY 302 N 1.04 1.88 3.67 -0.72 0.00 -0.22 -5.06 105.19 105.79 3hxd n GLY 302 Ca 0.13 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3hxd n GLY 302 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hxd s GLU 303 N -1.02 4.26 0.34 1.61 2.56 -0.78 -4.93 118.70 120.74 3hxd s GLU 303 Ca 0.00 1.84 0.04 0.00 0.00 0.00 0.00 54.97 56.85 3hxd s GLU 303 Cb 0.00 -3.70 0.66 0.00 2.00 0.00 0.00 34.13 33.08 3hxd s GLU 303 CO 0.00 -0.64 1.95 0.93 -0.56 0.00 0.00 175.26 176.94 3hxd h GLU 304 N 8.17 0.84 0.00 4.30 5.08 -1.95 -2.94 114.58 128.07 3hxd h GLU 304 Ca -0.33 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 3hxd h GLU 304 Cb 1.15 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.21 3hxd h GLU 304 CO 0.93 0.55 0.00 1.04 -1.00 0.00 0.00 179.01 180.53 3hxd n GLN 305 N -4.48 0.14 -5.05 2.33 6.02 -1.26 -4.77 117.38 110.31 3hxd n GLN 305 Ca 0.11 0.07 -0.32 0.00 -0.01 0.00 0.00 57.00 56.85 3hxd n GLN 305 Cb 0.20 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 29.82 3hxd n GLN 305 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3hxd s ILE 306 N -2.83 2.65 0.57 5.09 1.01 -1.11 -4.84 121.20 121.73 3hxd s ILE 306 Ca 0.17 -0.87 -0.21 0.00 0.00 0.00 0.00 60.65 59.73 3hxd s ILE 306 Cb 0.16 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 3hxd s ILE 306 CO 0.42 0.58 1.34 -0.54 0.00 0.00 0.00 174.94 176.74 3hxd s LYS 307 N -0.57 3.00 0.30 2.79 1.02 -0.16 -4.85 119.74 121.26 3hxd s LYS 307 Ca 0.08 2.18 -0.30 0.00 0.02 0.00 0.00 55.97 57.95 3hxd s LYS 307 Cb -0.11 -2.15 -0.12 0.00 -0.52 0.00 0.00 37.83 34.93 3hxd s LYS 307 CO 0.01 -1.28 1.48 -2.30 -0.92 0.00 0.00 175.35 172.33 3hxd n PRO 308 N -1.26 2.43 -4.87 -1.68 -0.02 -1.26 -4.88 135.00 123.47 3hxd n PRO 308 Ca 0.12 0.86 -0.32 0.00 -2.02 0.00 0.00 63.50 62.13 3hxd n PRO 308 Cb 0.46 -2.57 -0.13 0.00 -0.02 0.00 0.00 33.50 31.24 3hxd n PRO 308 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hxd s VAL 309 N -0.34 2.98 -0.05 -1.45 0.11 -1.26 -1.30 120.40 119.09 3hxd s VAL 309 Ca 0.62 -0.82 -0.30 0.00 -2.93 0.00 0.00 61.98 58.56 3hxd s VAL 309 Cb -0.55 -2.18 -0.04 0.00 -1.53 0.00 0.00 36.38 32.09 3hxd s VAL 309 CO 0.53 0.55 1.32 -0.55 -3.33 0.00 0.00 175.10 173.62 3hxd s SER 310 N -0.85 6.93 0.52 3.54 0.15 0.44 -4.74 113.70 119.67 3hxd s SER 310 Ca 0.12 1.94 0.28 0.00 0.70 0.00 0.00 55.95 58.99 3hxd s SER 310 Cb -0.11 -2.55 1.42 0.00 -1.71 0.00 0.00 66.02 63.07 3hxd s SER 310 CO 0.01 -0.69 2.05 1.55 1.20 0.00 0.00 173.24 177.36 3hxd h PRO 311 N 7.88 0.00 0.03 5.44 0.13 -1.91 -0.33 132.00 143.24 3hxd h PRO 311 Ca -0.35 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.73 3hxd h PRO 311 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3hxd h PRO 311 CO 0.91 0.12 -0.28 0.28 -0.23 0.00 0.00 178.00 178.80 3hxd h VAL 312 N 0.00 1.66 -0.00 1.56 2.07 -1.91 -3.40 116.25 116.23 3hxd h VAL 312 Ca -0.00 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.15 3hxd h VAL 312 Cb 0.39 3.25 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 3hxd h VAL 312 CO 0.02 0.61 -0.76 0.49 0.02 0.00 0.00 177.57 177.95 3hxd n PHE 313 N -4.49 0.00 -3.81 1.57 3.01 -1.23 -4.95 117.46 107.56 3hxd n PHE 313 Ca -0.13 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.00 3hxd n PHE 313 Cb 0.57 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 40.06 3hxd n PHE 313 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hxd s MET 315 N -6.37 0.67 0.24 0.00 -1.94 -1.26 -4.94 119.30 105.70 3hxd s MET 315 Ca 0.38 -0.84 -0.31 0.00 -1.71 0.00 0.00 55.69 53.21 3hxd s MET 315 Cb -0.15 0.27 -0.13 0.00 2.01 0.00 0.00 34.83 36.82 3hxd s MET 315 CO 0.89 -0.18 1.49 -2.30 -0.01 0.00 0.00 175.02 174.90 3hxd n PRO 316 N 0.47 2.24 -0.21 2.03 -0.02 -1.26 -0.42 135.00 137.83 3hxd n PRO 316 Ca -0.17 0.80 0.14 0.00 -2.02 0.00 0.00 63.50 62.25 3hxd n PRO 316 Cb 0.60 -2.51 0.45 0.00 -0.02 0.00 0.00 33.50 32.02 3hxd n PRO 316 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3hxd h GLU 317 N 4.65 0.52 0.00 -0.52 4.39 -1.49 -1.63 114.58 120.50 3hxd h GLU 317 Ca -0.45 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.18 3hxd h GLU 317 Cb 1.26 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.79 3hxd h GLU 317 CO 0.79 0.34 -0.16 1.05 -1.16 0.00 0.00 179.01 179.87 3hxd h GLU 318 N 0.54 0.00 -0.15 2.33 4.11 -1.90 0.19 114.58 119.70 3hxd h GLU 318 Ca 0.41 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.80 3hxd h GLU 318 Cb 0.80 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 3hxd h GLU 318 CO -0.16 0.16 -0.07 0.28 0.07 0.00 0.00 179.01 179.29 3hxd h VAL 319 N 0.00 1.31 -0.26 -1.06 2.07 -1.67 -2.81 116.25 113.84 3hxd h VAL 319 Ca -0.00 -1.10 -0.10 0.00 0.82 0.00 0.00 66.70 66.31 3hxd h VAL 319 Cb 0.31 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 3hxd h VAL 319 CO 0.02 0.32 -0.27 -0.07 0.02 0.00 0.00 177.57 177.60 3hxd h LEU 320 N -0.02 0.52 -0.62 2.57 3.38 -1.21 -2.45 115.31 117.49 3hxd h LEU 320 Ca 0.03 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.87 3hxd h LEU 320 Cb 0.54 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 3hxd h LEU 320 CO 0.02 0.78 0.34 1.56 0.09 0.00 0.00 178.44 181.23 3hxd h GLN 321 N 0.45 0.62 -0.68 1.13 4.20 -0.69 -0.24 115.11 119.90 3hxd h GLN 321 Ca 0.06 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.78 3hxd h GLN 321 Cb 0.70 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 28.29 3hxd h GLN 321 CO 0.05 0.41 0.40 -0.09 -0.67 0.00 0.00 178.83 178.94 3hxd h ARG 322 N 0.64 0.74 -0.13 1.46 2.43 -1.16 -1.82 114.38 116.53 3hxd h ARG 322 Ca 0.27 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3hxd h ARG 322 Cb 0.15 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3hxd h ARG 322 CO -0.17 0.49 0.00 1.33 -1.51 0.00 0.00 179.97 180.11 3hxd n VAL 323 N -4.73 0.15 -3.63 0.20 0.24 -1.09 -4.97 118.33 104.50 3hxd n VAL 323 Ca 0.08 -0.36 -0.21 0.00 -2.04 0.00 0.00 64.34 61.81 3hxd n VAL 323 Cb 0.14 0.55 0.05 0.00 -1.47 0.00 0.00 33.84 33.11 3hxd n VAL 323 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3hxd n ASN 324 N 0.45 -1.96 -3.82 -1.34 2.85 -0.15 -4.98 115.26 106.32 3hxd n ASN 324 Ca 0.17 -0.74 -0.30 0.00 -0.11 0.00 0.00 54.58 53.60 3hxd n ASN 324 Cb 0.38 -4.42 -0.14 0.00 1.24 0.00 0.00 39.78 36.85 3hxd n ASN 324 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3hxd s VAL 325 N -3.53 1.88 -0.41 3.44 0.11 -0.88 -5.04 120.40 115.97 3hxd s VAL 325 Ca 0.08 -2.81 0.02 0.00 -2.93 0.00 0.00 61.98 56.34 3hxd s VAL 325 Cb -0.04 -2.32 0.15 0.00 -1.53 0.00 0.00 36.38 32.65 3hxd s VAL 325 CO 0.78 -0.84 0.29 -1.10 -3.33 0.00 0.00 175.10 170.90 3hxd s GLN 326 N 0.16 0.91 0.23 1.54 -0.21 -1.26 -4.72 119.66 116.30 3hxd s GLN 326 Ca 0.17 -1.88 -0.32 0.00 0.02 0.00 0.00 55.36 53.35 3hxd s GLN 326 Cb -0.25 -1.59 -0.14 0.00 1.00 0.00 0.00 33.01 32.03 3hxd s GLN 326 CO -0.01 -1.29 1.41 -2.30 -2.12 0.00 0.00 175.29 170.98 3hxd n PRO 327 N 3.31 1.99 -2.13 2.91 -0.02 -1.26 -4.95 135.00 134.86 3hxd n PRO 327 Ca 0.20 0.71 -0.41 0.00 -2.02 0.00 0.00 63.50 61.98 3hxd n PRO 327 Cb 0.42 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 3hxd n PRO 327 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3hxd s GLU 328 N -0.29 4.34 0.57 -0.52 2.02 -1.26 -5.04 118.70 118.52 3hxd s GLU 328 Ca 0.69 2.16 0.09 0.00 0.02 0.00 0.00 54.97 57.94 3hxd s GLU 328 Cb -0.67 -3.15 0.08 0.00 0.10 0.00 0.00 34.13 30.49 3hxd s GLU 328 CO 0.49 -0.31 0.73 -0.51 0.02 0.00 0.00 175.26 175.68 3hxd s LEU 329 N -0.39 3.05 0.03 1.80 1.43 -1.26 -4.88 118.68 118.45 3hxd s LEU 329 Ca 0.57 -0.90 -0.21 0.00 -1.03 0.00 0.00 54.13 52.56 3hxd s LEU 329 Cb -0.39 -1.59 -0.16 0.00 0.03 0.00 0.00 46.19 44.09 3hxd s LEU 329 CO 0.42 -1.29 1.32 0.58 0.23 0.00 0.00 176.35 177.60 3hxd h VAL 330 N 0.28 1.36 0.00 -1.59 2.07 -1.43 -3.49 116.25 113.45 3hxd h VAL 330 Ca -0.31 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 65.89 3hxd h VAL 330 Cb 1.29 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 3hxd h VAL 330 CO 0.43 0.38 0.00 -1.54 0.02 0.00 0.00 177.57 176.87