#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsk s LYS 4 N 0.00 3.96 -0.13 5.55 -0.14 -0.53 -4.91 119.74 123.54 3hsk s LYS 4 Ca 0.00 0.45 -0.17 0.00 -1.36 0.00 0.00 55.97 54.89 3hsk s LYS 4 Cb 0.00 -3.15 -0.04 0.00 -1.68 0.00 0.00 37.83 32.96 3hsk s LYS 4 CO 0.00 0.63 0.44 0.15 -0.76 0.00 0.00 175.35 175.81 3hsk s LYS 5 N -1.34 4.32 -0.11 1.68 1.02 -1.26 -0.88 119.74 123.18 3hsk s LYS 5 Ca 0.28 0.38 0.02 0.00 0.02 0.00 0.00 55.97 56.66 3hsk s LYS 5 Cb -0.17 -3.44 -0.01 0.00 -0.52 0.00 0.00 37.83 33.69 3hsk s LYS 5 CO 0.16 0.16 -0.16 0.00 -0.92 0.00 0.00 175.35 174.59 3hsk s ALA 6 N 0.63 2.50 0.20 5.17 0.00 0.89 0.11 121.76 131.26 3hsk s ALA 6 Ca 0.24 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.28 3hsk s ALA 6 Cb -0.15 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 3hsk s ALA 6 CO 0.09 0.31 0.37 0.20 0.00 0.00 0.00 175.76 176.73 3hsk s GLY 7 N 0.16 1.65 -0.14 0.00 0.00 0.64 -0.63 107.32 108.99 3hsk s GLY 7 Ca -0.09 -0.96 -0.02 0.00 0.00 0.00 0.00 44.72 43.66 3hsk s GLY 7 CO 0.05 -0.93 0.01 0.14 0.00 0.00 0.00 173.10 172.37 3hsk s VAL 8 N -1.88 0.55 0.18 1.40 1.01 -0.16 -0.69 120.40 120.81 3hsk s VAL 8 Ca 0.37 -0.27 -0.18 0.00 0.00 0.00 0.00 61.98 61.90 3hsk s VAL 8 Cb -0.11 -0.86 -0.08 0.00 0.00 0.00 0.00 36.38 35.34 3hsk s VAL 8 CO 0.29 0.05 0.65 -0.76 0.00 0.00 0.00 175.10 175.33 3hsk s LEU 9 N 1.87 4.36 -1.25 3.92 1.43 0.18 -0.68 118.68 128.51 3hsk s LEU 9 Ca 0.02 1.28 -0.02 0.00 -1.03 0.00 0.00 54.13 54.38 3hsk s LEU 9 Cb -0.15 -3.41 0.00 0.00 0.03 0.00 0.00 46.19 42.66 3hsk s LEU 9 CO -0.07 0.08 1.02 0.61 0.23 0.00 0.00 176.35 178.22 3hsk n GLY 10 N 0.83 -0.40 0.22 -3.19 0.00 -0.56 -1.22 105.19 100.87 3hsk n GLY 10 Ca -0.04 0.14 0.01 0.00 0.00 0.00 0.00 46.02 46.13 3hsk n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hsk h ALA 11 N 0.92 1.39 0.00 4.61 0.00 -0.36 -2.85 119.26 122.98 3hsk h ALA 11 Ca -0.59 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.04 3hsk h ALA 11 Cb 1.35 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3hsk h ALA 11 CO 0.52 0.42 -0.06 1.79 0.00 0.00 0.00 179.25 181.93 3hsk h THR 12 N 0.18 0.12 -3.96 0.00 1.35 -1.91 -2.72 112.91 105.97 3hsk h THR 12 Ca 0.03 -0.86 -0.45 0.00 -0.55 0.00 0.00 66.41 64.59 3hsk h THR 12 Cb 0.52 1.77 0.15 0.00 -1.73 0.00 0.00 68.15 68.86 3hsk h THR 12 CO 0.04 0.06 0.24 -0.83 -0.25 0.00 0.00 175.52 174.77 3hsk s GLY 13 N -4.22 1.59 0.27 5.82 0.00 -1.07 -4.68 107.32 105.02 3hsk s GLY 13 Ca 0.03 -0.61 -0.01 0.00 0.00 0.00 0.00 44.72 44.14 3hsk s GLY 13 CO 0.61 0.05 1.85 0.23 0.00 0.00 0.00 173.10 175.84 3hsk h SER 14 N -1.85 0.94 -0.02 1.64 0.87 -1.89 0.96 113.55 114.19 3hsk h SER 14 Ca -0.51 0.03 -0.18 0.00 -1.23 0.00 0.00 61.79 59.90 3hsk h SER 14 Cb 1.32 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 63.13 3hsk h SER 14 CO 0.54 0.55 -0.70 0.58 -0.53 0.00 0.00 176.83 177.26 3hsk h VAL 15 N 1.04 1.38 -0.25 2.23 2.07 -1.88 -3.06 116.25 117.78 3hsk h VAL 15 Ca 0.46 -2.08 0.06 0.00 0.82 0.00 0.00 66.70 65.96 3hsk h VAL 15 Cb 0.35 2.46 -0.06 0.00 -1.52 0.00 0.00 31.29 32.52 3hsk h VAL 15 CO -0.23 0.62 -0.14 1.23 0.02 0.00 0.00 177.57 179.07 3hsk h GLY 16 N 0.08 0.05 0.15 2.17 0.00 -1.53 -0.55 103.07 103.44 3hsk h GLY 16 Ca -0.08 0.18 0.11 0.00 0.00 0.00 0.00 47.33 47.54 3hsk h GLY 16 CO 0.14 -0.15 0.11 1.46 0.00 0.00 0.00 176.54 178.09 3hsk h GLN 17 N -0.12 0.22 -0.70 4.80 4.20 -0.48 0.05 115.11 123.08 3hsk h GLN 17 Ca 0.14 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 3hsk h GLN 17 Cb 0.32 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 3hsk h GLN 17 CO -0.32 0.15 0.18 0.00 -0.67 0.00 0.00 178.83 178.17 3hsk h ARG 18 N 0.23 1.10 -0.02 1.46 3.08 -1.34 -0.63 114.38 118.26 3hsk h ARG 18 Ca 0.31 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 3hsk h ARG 18 Cb 0.47 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 3hsk h ARG 18 CO -0.42 0.96 0.01 0.74 -1.07 0.00 0.00 179.97 180.19 3hsk h PHE 19 N 1.05 0.02 0.04 3.04 0.04 -0.28 -1.76 116.94 119.09 3hsk h PHE 19 Ca 0.22 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.99 3hsk h PHE 19 Cb 0.34 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.49 3hsk h PHE 19 CO 0.03 0.10 -0.02 0.82 -0.60 0.00 0.00 178.31 178.63 3hsk h ILE 20 N -0.06 1.02 -0.25 -0.55 2.04 -0.83 -0.55 117.51 118.34 3hsk h ILE 20 Ca 0.01 -0.19 0.06 0.00 1.00 0.00 0.00 64.86 65.74 3hsk h ILE 20 Cb 0.08 1.15 -0.07 0.00 -0.74 0.00 0.00 36.82 37.24 3hsk h ILE 20 CO -0.00 0.05 -0.19 0.25 0.00 0.00 0.00 178.15 178.26 3hsk h LEU 21 N -0.14 -0.62 -0.93 1.44 7.12 -1.14 -0.73 115.31 120.31 3hsk h LEU 21 Ca -0.01 0.12 -0.11 0.00 0.13 0.00 0.00 57.88 58.02 3hsk h LEU 21 Cb 0.12 0.31 -0.01 0.00 -0.53 0.00 0.00 40.66 40.55 3hsk h LEU 21 CO 0.01 -0.23 -0.45 0.25 -0.13 0.00 0.00 178.44 177.89 3hsk h LEU 22 N -0.18 0.20 -0.73 2.25 6.46 -1.18 -2.82 115.31 119.31 3hsk h LEU 22 Ca 0.14 -0.09 -0.13 0.00 -0.12 0.00 0.00 57.88 57.68 3hsk h LEU 22 Cb 0.39 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 3hsk h LEU 22 CO -0.36 0.63 -0.44 -0.07 -0.62 0.00 0.00 178.44 177.58 3hsk h LEU 23 N 0.16 0.47 -1.75 2.25 3.38 -0.70 -3.09 115.31 116.03 3hsk h LEU 23 Ca 0.01 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 3hsk h LEU 23 Cb 0.85 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 3hsk h LEU 23 CO 0.07 0.85 -0.14 0.77 0.09 0.00 0.00 178.44 180.08 3hsk h SER 24 N 0.36 0.00 -0.48 -0.43 4.64 -0.88 -1.51 113.55 115.24 3hsk h SER 24 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3hsk h SER 24 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3hsk h SER 24 CO 0.08 0.14 0.00 0.29 -0.87 0.00 0.00 176.83 176.47 3hsk n LYS 25 N -3.56 2.41 -4.07 4.77 4.01 -1.17 -4.87 118.16 115.68 3hsk n LYS 25 Ca -0.01 -1.86 -0.32 0.00 -0.51 0.00 0.00 58.31 55.61 3hsk n LYS 25 Cb 0.28 -1.49 -0.16 0.00 -0.51 0.00 0.00 35.03 33.14 3hsk n LYS 25 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 3hsk s HIS 26 N -1.47 2.63 0.20 2.13 5.04 -0.57 -5.02 115.29 118.24 3hsk s HIS 26 Ca 0.34 -1.61 0.08 0.00 -1.54 0.00 0.00 55.06 52.34 3hsk s HIS 26 Cb 0.19 -1.81 0.09 0.00 0.04 0.00 0.00 32.58 31.10 3hsk s HIS 26 CO 0.21 -0.77 1.46 -1.00 -2.34 0.00 0.00 174.74 172.29 3hsk h PRO 27 N 7.95 0.01 0.00 2.88 0.13 -1.89 -3.20 132.00 137.88 3hsk h PRO 27 Ca -0.39 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3hsk h PRO 27 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3hsk h PRO 27 CO 0.57 0.80 0.00 0.93 -0.23 0.00 0.00 178.00 180.07 3hsk h GLU 28 N 0.01 0.00 -6.62 0.86 5.08 -1.95 -3.44 114.58 108.52 3hsk h GLU 28 Ca -0.01 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.69 3hsk h GLU 28 Cb 1.41 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.48 3hsk h GLU 28 CO 0.10 0.00 -0.79 -0.06 -1.00 0.00 0.00 179.01 177.27 3hsk s PHE 29 N -3.88 2.49 -0.14 4.33 0.08 -1.21 -1.45 117.98 118.21 3hsk s PHE 29 Ca -0.02 -0.28 0.02 0.00 0.12 0.00 0.00 56.93 56.76 3hsk s PHE 29 Cb 0.11 -1.27 0.00 0.00 -0.57 0.00 0.00 43.02 41.29 3hsk s PHE 29 CO 0.43 0.45 -0.19 -1.83 -0.10 0.00 0.00 175.22 173.98 3hsk s GLU 30 N -2.49 3.12 -0.49 0.44 -1.05 -0.06 -4.90 118.70 113.27 3hsk s GLU 30 Ca 0.21 -0.81 -0.28 0.00 -0.15 0.00 0.00 54.97 53.93 3hsk s GLU 30 Cb -0.09 -2.49 -0.00 0.00 -0.44 0.00 0.00 34.13 31.10 3hsk s GLU 30 CO 0.11 0.04 1.59 0.42 0.95 0.00 0.00 175.26 178.37 3hsk s ILE 31 N 0.71 3.66 -0.10 1.83 1.01 -1.26 -0.08 121.20 126.97 3hsk s ILE 31 Ca -0.09 0.59 0.09 0.00 0.00 0.00 0.00 60.65 61.24 3hsk s ILE 31 Cb -0.16 -4.12 -0.12 0.00 0.01 0.00 0.00 42.46 38.07 3hsk s ILE 31 CO 0.01 -0.87 0.03 1.57 0.00 0.00 0.00 174.94 175.68 3hsk n HIS 32 N 10.19 0.00 -3.76 3.97 -0.00 0.19 -4.93 115.22 120.89 3hsk n HIS 32 Ca 0.17 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.22 3hsk n HIS 32 Cb 0.49 -0.49 -0.11 0.00 -0.12 0.00 0.00 29.99 29.76 3hsk n HIS 32 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3hsk s ALA 33 N -2.24 -0.75 -0.10 1.57 0.00 -1.16 -4.83 121.76 114.25 3hsk s ALA 33 Ca -0.05 0.91 0.03 0.00 0.00 0.00 0.00 51.96 52.85 3hsk s ALA 33 Cb 0.03 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.62 3hsk s ALA 33 CO 0.40 -0.16 -0.18 -0.51 0.00 0.00 0.00 175.76 175.32 3hsk s LEU 34 N 0.36 1.85 0.06 0.00 1.43 -1.26 -0.99 118.68 120.13 3hsk s LEU 34 Ca -0.02 -0.46 0.08 0.00 -1.03 0.00 0.00 54.13 52.70 3hsk s LEU 34 Cb -0.03 -1.16 -0.03 0.00 0.03 0.00 0.00 46.19 44.99 3hsk s LEU 34 CO -0.01 0.07 -0.18 -0.83 0.23 0.00 0.00 176.35 175.62 3hsk s GLY 35 N 0.72 1.60 0.03 -3.19 0.00 0.14 0.80 107.32 107.43 3hsk s GLY 35 Ca -0.12 -1.24 -0.01 0.00 0.00 0.00 0.00 44.72 43.36 3hsk s GLY 35 CO 0.02 -1.15 0.06 0.00 0.00 0.00 0.00 173.10 172.03 3hsk n ALA 36 N 1.36 -0.12 -0.86 3.20 0.00 -0.66 0.23 120.51 123.65 3hsk n ALA 36 Ca -0.16 -0.11 -0.33 0.00 0.00 0.00 0.00 53.44 52.85 3hsk n ALA 36 Cb 0.52 0.09 0.13 0.00 0.00 0.00 0.00 19.45 20.19 3hsk n ALA 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hsk n SER 37 N -1.24 -0.58 0.20 0.00 3.41 -1.26 -3.70 113.62 110.44 3hsk n SER 37 Ca -0.01 0.44 0.14 0.00 -0.26 0.00 0.00 58.87 59.19 3hsk n SER 37 Cb 0.05 -1.36 0.66 0.00 -0.26 0.00 0.00 64.21 63.30 3hsk n SER 37 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3hsk h SER 38 N -1.42 0.00 0.73 4.04 0.02 -1.95 0.06 113.55 115.03 3hsk h SER 38 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 3hsk h SER 38 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 3hsk h SER 38 CO 0.40 0.00 -0.19 0.54 -1.14 0.00 0.00 176.83 176.43 3hsk n ARG 39 N -2.54 0.10 -0.12 3.45 3.00 -1.26 -3.68 116.66 115.61 3hsk n ARG 39 Ca 0.00 -0.03 -0.16 0.00 -0.01 0.00 0.00 57.85 57.65 3hsk n ARG 39 Cb 0.17 -1.50 -0.12 0.00 0.00 0.00 0.00 32.46 31.01 3hsk n ARG 39 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 3hsk n SER 40 N -1.42 1.79 -4.50 0.55 7.64 -0.12 -5.03 113.62 112.53 3hsk n SER 40 Ca 0.08 -0.12 -0.49 0.00 1.01 0.00 0.00 58.87 59.35 3hsk n SER 40 Cb 0.33 -0.21 -0.03 0.00 -1.01 0.00 0.00 64.21 63.29 3hsk n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hsk n ALA 41 N -3.17 -1.87 -0.73 -0.43 0.00 -0.46 -2.46 120.51 111.40 3hsk n ALA 41 Ca -0.43 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3hsk n ALA 41 Cb 1.00 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3hsk n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hsk n GLY 42 N 1.75 0.78 3.61 0.00 0.00 -0.39 -4.99 105.19 105.95 3hsk n GLY 42 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3hsk n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hsk s LYS 43 N -0.27 2.23 0.65 1.61 1.02 -1.03 -4.89 119.74 119.06 3hsk s LYS 43 Ca 0.00 -1.01 -0.17 0.00 0.02 0.00 0.00 55.97 54.81 3hsk s LYS 43 Cb 0.00 -2.35 -0.02 0.00 -0.52 0.00 0.00 37.83 34.94 3hsk s LYS 43 CO 0.00 0.51 1.06 1.63 -0.92 0.00 0.00 175.35 177.62 3hsk n LYS 44 N 0.56 0.84 -0.00 1.68 5.02 -1.26 -0.45 118.16 124.55 3hsk n LYS 44 Ca -0.12 0.34 0.01 0.00 -2.02 0.00 0.00 58.31 56.51 3hsk n LYS 44 Cb 0.53 -2.29 0.32 0.00 -0.02 0.00 0.00 35.03 33.57 3hsk n LYS 44 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 3hsk h TYR 45 N 0.27 0.54 0.00 2.13 3.20 -0.11 -1.41 116.97 121.59 3hsk h TYR 45 Ca -0.49 -0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.28 3hsk h TYR 45 Cb 1.35 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.45 3hsk h TYR 45 CO 0.39 0.49 -0.29 1.57 -1.64 0.00 0.00 178.16 178.68 3hsk h LYS 46 N 0.52 0.00 0.00 1.82 2.10 -1.76 -1.48 116.57 117.78 3hsk h LYS 46 Ca 0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.77 3hsk h LYS 46 Cb 0.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 3hsk h LYS 46 CO -0.00 0.29 -0.74 -0.25 -2.00 0.00 0.00 179.45 176.75 3hsk n ASP 47 N -3.62 0.66 -0.04 7.07 8.00 -0.74 -4.16 116.55 123.71 3hsk n ASP 47 Ca -0.01 0.01 -0.02 0.00 0.71 0.00 0.00 54.79 55.48 3hsk n ASP 47 Cb 0.41 0.35 -0.14 0.00 -0.02 0.00 0.00 41.12 41.72 3hsk n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hsk n ALA 48 N -1.81 1.92 -2.46 2.24 0.00 -0.61 -4.96 120.51 114.83 3hsk n ALA 48 Ca 0.03 -0.90 -0.31 0.00 0.00 0.00 0.00 53.44 52.26 3hsk n ALA 48 Cb 0.43 -0.56 -0.13 0.00 0.00 0.00 0.00 19.45 19.20 3hsk n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hsk s ALA 49 N -2.85 2.62 -0.61 0.00 0.00 -0.58 -4.97 121.76 115.36 3hsk s ALA 49 Ca -0.07 -1.16 -0.19 0.00 0.00 0.00 0.00 51.96 50.53 3hsk s ALA 49 Cb 0.09 -0.78 0.10 0.00 0.00 0.00 0.00 23.12 22.53 3hsk s ALA 49 CO 0.84 0.57 0.75 0.45 0.00 0.00 0.00 175.76 178.37 3hsk s SER 50 N -1.36 6.20 -0.55 0.00 0.15 -1.26 -4.82 113.70 112.06 3hsk s SER 50 Ca 0.14 -1.41 -0.26 0.00 0.70 0.00 0.00 55.95 55.12 3hsk s SER 50 Cb -0.11 -2.32 -0.05 0.00 -1.71 0.00 0.00 66.02 61.83 3hsk s SER 50 CO 0.05 -1.15 2.20 0.86 1.20 0.00 0.00 173.24 176.40 3hsk s TRP 51 N 2.83 1.30 -2.01 3.44 -0.11 -1.26 -4.80 118.94 118.32 3hsk s TRP 51 Ca 0.13 1.29 0.13 0.00 1.22 0.00 0.00 56.10 58.86 3hsk s TRP 51 Cb -0.23 -3.77 0.36 0.00 -1.50 0.00 0.00 33.47 28.34 3hsk s TRP 51 CO 0.06 -2.41 1.30 0.36 -4.62 0.00 0.00 176.95 171.64 3hsk n LYS 52 N 9.07 1.91 -3.36 5.86 -0.00 -1.26 -4.94 118.16 125.44 3hsk n LYS 52 Ca 0.31 -1.42 -0.24 0.00 -0.00 0.00 0.00 58.31 56.96 3hsk n LYS 52 Cb 0.53 -1.31 -0.01 0.00 -0.00 0.00 0.00 35.03 34.24 3hsk n LYS 52 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 3hsk s GLN 53 N -1.48 3.50 -0.07 -1.58 -1.52 -1.26 -5.04 119.66 112.22 3hsk s GLN 53 Ca 0.27 -0.29 -0.26 0.00 -1.95 0.00 0.00 55.36 53.12 3hsk s GLN 53 Cb 0.14 -2.66 -0.22 0.00 -0.22 0.00 0.00 33.01 30.05 3hsk s GLN 53 CO 0.18 0.15 1.04 1.15 -0.25 0.00 0.00 175.29 177.57 3hsk h THR 54 N 0.82 1.48 -3.54 -0.19 2.02 -2.04 -3.44 112.91 108.01 3hsk h THR 54 Ca -0.49 -1.58 -0.52 0.00 0.77 0.00 0.00 66.41 64.59 3hsk h THR 54 Cb 1.21 2.52 -0.02 0.00 -1.74 0.00 0.00 68.15 70.13 3hsk h THR 54 CO 0.62 0.40 0.31 -0.70 0.37 0.00 0.00 175.52 176.52 3hsk s GLU 55 N -3.43 4.66 0.50 6.66 2.12 -1.26 -5.05 118.70 122.91 3hsk s GLU 55 Ca -0.17 1.36 -0.14 0.00 0.36 0.00 0.00 54.97 56.39 3hsk s GLU 55 Cb -0.00 -3.37 -0.07 0.00 0.26 0.00 0.00 34.13 30.96 3hsk s GLU 55 CO 0.66 0.25 0.93 0.95 -0.54 0.00 0.00 175.26 177.51 3hsk s THR 56 N -0.10 4.64 0.13 -1.70 -4.23 -1.26 -5.06 115.64 108.06 3hsk s THR 56 Ca 0.44 0.96 -0.19 0.00 -1.18 0.00 0.00 61.69 61.73 3hsk s THR 56 Cb -0.23 -3.75 -0.07 0.00 1.34 0.00 0.00 72.50 69.79 3hsk s THR 56 CO 0.28 -0.73 0.62 -0.22 -0.54 0.00 0.00 174.62 174.03 3hsk s LEU 57 N -4.22 4.45 0.30 4.79 2.96 -1.26 -5.03 118.68 120.67 3hsk s LEU 57 Ca 0.56 1.29 -0.29 0.00 -0.22 0.00 0.00 54.13 55.46 3hsk s LEU 57 Cb -0.10 -3.17 -0.12 0.00 0.50 0.00 0.00 46.19 43.30 3hsk s LEU 57 CO 0.36 0.18 1.38 -2.65 -1.32 0.00 0.00 176.35 174.30 3hsk n PRO 58 N 1.29 2.21 0.27 0.98 -0.02 -1.26 -4.83 135.00 133.63 3hsk n PRO 58 Ca -0.07 0.78 0.15 0.00 -2.02 0.00 0.00 63.50 62.34 3hsk n PRO 58 Cb 0.51 -2.42 0.72 0.00 -0.02 0.00 0.00 33.50 32.29 3hsk n PRO 58 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3hsk h GLU 59 N 3.44 0.00 -0.31 -0.52 4.81 -1.99 -1.44 114.58 118.58 3hsk h GLU 59 Ca -0.46 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.68 3hsk h GLU 59 Cb 1.27 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 3hsk h GLU 59 CO 0.69 0.08 -0.18 0.00 -0.73 0.00 0.00 179.01 178.88 3hsk h THR 60 N 0.00 1.25 -0.23 0.32 1.03 -2.01 -2.33 112.91 110.95 3hsk h THR 60 Ca -0.00 -1.16 -0.12 0.00 -0.01 0.00 0.00 66.41 65.12 3hsk h THR 60 Cb 0.44 1.21 -0.01 0.00 -1.07 0.00 0.00 68.15 68.72 3hsk h THR 60 CO 0.01 0.38 -0.36 -0.33 -0.01 0.00 0.00 175.52 175.21 3hsk h GLU 61 N 0.51 0.50 0.00 0.00 3.07 -1.64 -3.16 114.58 113.86 3hsk h GLU 61 Ca 0.08 -0.23 -0.00 0.00 -0.50 0.00 0.00 59.36 58.71 3hsk h GLU 61 Cb 0.59 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.50 3hsk h GLU 61 CO 0.04 0.79 -0.01 1.96 -1.40 0.00 0.00 179.01 180.39 3hsk h GLN 62 N 0.42 0.00 -0.00 2.33 4.20 -1.06 -2.67 115.11 118.33 3hsk h GLN 62 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3hsk h GLN 62 Cb 0.83 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.61 3hsk h GLN 62 CO 0.07 0.01 -0.21 -0.25 -0.67 0.00 0.00 178.83 177.78 3hsk n ASP 63 N -4.50 0.29 -4.69 1.46 8.00 -1.03 -1.99 116.55 114.10 3hsk n ASP 63 Ca -0.03 -0.02 -0.44 0.00 0.71 0.00 0.00 54.79 55.01 3hsk n ASP 63 Cb 0.10 -0.13 -0.04 0.00 -0.02 0.00 0.00 41.12 41.03 3hsk n ASP 63 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3hsk n ILE 64 N -1.37 0.19 -2.91 0.53 5.41 -1.01 -4.64 119.36 115.56 3hsk n ILE 64 Ca 0.08 -0.03 -0.41 0.00 1.00 0.00 0.00 62.75 63.39 3hsk n ILE 64 Cb 0.32 -1.87 -0.04 0.00 -0.71 0.00 0.00 39.64 37.34 3hsk n ILE 64 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3hsk s VAL 65 N 1.95 4.91 0.52 1.39 1.01 -1.26 -0.45 120.40 128.47 3hsk s VAL 65 Ca 0.81 1.60 -0.20 0.00 0.00 0.00 0.00 61.98 64.19 3hsk s VAL 65 Cb -0.58 -4.12 -0.07 0.00 0.00 0.00 0.00 36.38 31.61 3hsk s VAL 65 CO 0.38 0.06 1.08 0.68 0.00 0.00 0.00 175.10 177.30 3hsk s VAL 66 N 1.93 3.54 0.37 2.92 -7.23 0.41 -4.66 120.40 117.68 3hsk s VAL 66 Ca 0.38 0.94 0.09 0.00 -1.81 0.00 0.00 61.98 61.58 3hsk s VAL 66 Cb -0.17 -3.38 -0.07 0.00 0.56 0.00 0.00 36.38 33.32 3hsk s VAL 66 CO 0.14 -0.23 -0.06 -1.58 -0.31 0.00 0.00 175.10 173.06 3hsk s GLN 67 N -3.32 1.87 0.47 4.82 0.74 0.24 -1.27 119.66 123.21 3hsk s GLN 67 Ca 0.69 -2.00 -0.22 0.00 0.05 0.00 0.00 55.36 53.88 3hsk s GLN 67 Cb -0.19 -1.68 -0.08 0.00 1.10 0.00 0.00 33.01 32.16 3hsk s GLN 67 CO 0.24 0.07 1.11 -2.00 -0.55 0.00 0.00 175.29 174.17 3hsk s GLU 68 N -3.65 3.77 -1.21 1.67 2.12 -1.26 -1.66 118.70 118.48 3hsk s GLU 68 Ca 0.33 1.62 -0.18 0.00 0.36 0.00 0.00 54.97 57.11 3hsk s GLU 68 Cb 0.05 -2.31 -0.02 0.00 0.26 0.00 0.00 34.13 32.11 3hsk s GLU 68 CO 0.17 -0.51 2.01 0.00 -0.54 0.00 0.00 175.26 176.39 3hsk s LYS 70 N 4.29 0.22 -1.07 0.00 1.02 -1.26 -4.93 119.74 118.02 3hsk s LYS 70 Ca 0.54 -0.25 -0.20 0.00 0.02 0.00 0.00 55.97 56.08 3hsk s LYS 70 Cb 0.10 0.09 0.09 0.00 -0.52 0.00 0.00 37.83 37.59 3hsk s LYS 70 CO 0.03 -0.04 1.42 -1.25 -0.92 0.00 0.00 175.35 174.59 3hsk s PRO 71 N -0.74 3.72 0.00 -1.68 0.04 -1.26 -4.66 135.00 130.43 3hsk s PRO 71 Ca -0.08 -1.59 0.00 0.00 0.04 0.00 0.00 61.00 59.37 3hsk s PRO 71 Cb -0.05 -5.25 0.00 0.00 0.04 0.00 0.00 34.50 29.24 3hsk s PRO 71 CO -0.00 -2.07 0.00 0.39 0.04 0.00 0.00 177.00 175.36 3hsk n GLU 72 N 7.89 0.00 0.00 4.56 1.02 -1.26 -4.77 120.64 128.08 3hsk n GLU 72 Ca 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 3hsk n GLU 72 Cb 0.49 -0.31 0.00 0.00 -0.02 0.00 0.00 31.44 31.60 3hsk n GLU 72 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hsk n GLY 73 N 2.16 1.22 0.25 0.62 0.00 -1.26 -4.75 105.19 103.43 3hsk n GLY 73 Ca 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.07 3hsk n GLY 73 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3hsk h ASN 74 N 0.00 0.00 -0.89 1.61 4.21 -1.95 -1.94 115.58 116.62 3hsk h ASN 74 Ca 0.00 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 3hsk h ASN 74 Cb 0.00 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.16 3hsk h ASN 74 CO 0.00 0.09 0.50 -0.26 -1.29 0.00 0.00 177.43 176.47 3hsk h PHE 75 N 0.00 1.20 0.00 1.19 0.05 -1.88 -2.70 116.94 114.81 3hsk h PHE 75 Ca -0.00 -0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.76 3hsk h PHE 75 Cb 0.17 -0.39 -0.00 0.00 2.00 0.00 0.00 35.95 37.73 3hsk h PHE 75 CO 0.00 0.82 -0.06 -0.07 -0.18 0.00 0.00 178.31 178.82 3hsk h LEU 76 N 1.24 0.00 -1.12 1.54 3.38 -1.64 -2.60 115.31 116.10 3hsk h LEU 76 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3hsk h LEU 76 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3hsk h LEU 76 CO -0.05 0.06 -0.23 -1.84 0.09 0.00 0.00 178.44 176.47 3hsk n GLU 77 N -3.61 1.49 -2.21 1.13 0.28 -1.03 -4.95 120.64 111.74 3hsk n GLU 77 Ca -0.02 -1.12 -0.41 0.00 -0.16 0.00 0.00 57.16 55.45 3hsk n GLU 77 Cb 0.17 -1.48 -0.03 0.00 1.43 0.00 0.00 31.44 31.53 3hsk n GLU 77 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3hsk h ASP 79 N 4.28 0.00 -3.49 0.00 3.32 -0.67 -3.46 116.42 116.40 3hsk h ASP 79 Ca -0.47 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.51 3hsk h ASP 79 Cb 1.22 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.54 3hsk h ASP 79 CO 0.71 0.00 -0.11 0.54 -1.72 0.00 0.00 179.24 178.66 3hsk s VAL 80 N -3.20 -0.01 -0.24 -1.35 0.11 -1.05 -4.58 120.40 110.08 3hsk s VAL 80 Ca 0.07 0.03 0.01 0.00 -2.93 0.00 0.00 61.98 59.16 3hsk s VAL 80 Cb 0.07 -0.78 0.04 0.00 -1.53 0.00 0.00 36.38 34.18 3hsk s VAL 80 CO 0.67 0.01 -0.12 -0.69 -3.33 0.00 0.00 175.10 171.64 3hsk s VAL 81 N 0.96 2.31 0.26 2.04 1.01 -0.04 -0.26 120.40 126.67 3hsk s VAL 81 Ca -0.05 -1.34 -0.21 0.00 0.00 0.00 0.00 61.98 60.38 3hsk s VAL 81 Cb -0.05 -2.23 -0.09 0.00 0.00 0.00 0.00 36.38 34.01 3hsk s VAL 81 CO -0.09 0.15 0.78 -0.36 0.00 0.00 0.00 175.10 175.58 3hsk s PHE 82 N 1.20 3.62 -0.07 5.22 0.08 0.13 -1.35 117.98 126.81 3hsk s PHE 82 Ca -0.04 1.46 0.04 0.00 0.12 0.00 0.00 56.93 58.51 3hsk s PHE 82 Cb -0.18 -2.68 0.00 0.00 -0.57 0.00 0.00 43.02 39.60 3hsk s PHE 82 CO -0.07 0.28 -0.19 0.45 -0.10 0.00 0.00 175.22 175.59 3hsk s SER 83 N -1.71 2.49 -0.16 1.36 0.15 0.04 0.49 113.70 116.36 3hsk s SER 83 Ca 0.46 -0.43 0.19 0.00 0.70 0.00 0.00 55.95 56.87 3hsk s SER 83 Cb -0.16 -1.01 0.45 0.00 -1.71 0.00 0.00 66.02 63.59 3hsk s SER 83 CO 0.21 0.13 1.17 0.61 1.20 0.00 0.00 173.24 176.56 3hsk n GLY 84 N 3.48 2.99 3.79 9.45 0.00 -0.36 -1.17 105.19 123.37 3hsk n GLY 84 Ca -0.20 -1.30 -0.36 0.00 0.00 0.00 0.00 46.02 44.16 3hsk n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hsk s LEU 85 N -2.30 4.00 0.42 0.99 1.43 -1.26 -4.67 118.68 117.29 3hsk s LEU 85 Ca 0.36 2.04 -0.25 0.00 -1.03 0.00 0.00 54.13 55.25 3hsk s LEU 85 Cb 0.37 -4.35 -0.08 0.00 0.03 0.00 0.00 46.19 42.16 3hsk s LEU 85 CO -0.08 -0.69 1.26 1.51 0.23 0.00 0.00 176.35 178.58 3hsk s ASP 86 N -1.69 6.24 0.66 2.29 1.47 -1.26 -4.52 116.67 119.85 3hsk s ASP 86 Ca 0.63 2.56 0.39 0.00 1.18 0.00 0.00 52.55 57.31 3hsk s ASP 86 Cb -0.21 -2.63 2.14 0.00 -0.34 0.00 0.00 42.92 41.88 3hsk s ASP 86 CO 0.26 -0.89 2.20 0.00 0.68 0.00 0.00 175.17 177.42 3hsk h ALA 87 N 2.48 1.11 0.00 2.11 0.00 -1.98 -1.98 119.26 121.00 3hsk h ALA 87 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3hsk h ALA 87 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3hsk h ALA 87 CO 0.62 -0.11 0.00 -0.40 0.00 0.00 0.00 179.25 179.36 3hsk n ASP 88 N -2.99 0.37 0.00 0.00 5.68 -1.26 -3.87 116.55 114.48 3hsk n ASP 88 Ca -0.03 0.54 0.00 0.00 -0.50 0.00 0.00 54.79 54.80 3hsk n ASP 88 Cb 0.17 -0.64 0.00 0.00 -1.14 0.00 0.00 41.12 39.51 3hsk n ASP 88 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 3hsk n VAL 89 N -1.85 0.00 -0.20 2.12 0.24 -0.85 -4.88 118.33 112.91 3hsk n VAL 89 Ca 0.06 -0.20 -0.04 0.00 -2.04 0.00 0.00 64.34 62.11 3hsk n VAL 89 Cb 0.36 0.74 0.13 0.00 -1.47 0.00 0.00 33.84 33.60 3hsk n VAL 89 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hsk h ALA 90 N 0.00 1.12 -0.56 2.33 0.00 -1.49 -2.98 119.26 117.69 3hsk h ALA 90 Ca 0.00 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.76 3hsk h ALA 90 Cb 0.00 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 3hsk h ALA 90 CO 0.00 0.60 0.28 0.78 0.00 0.00 0.00 179.25 180.91 3hsk h GLY 91 N 1.05 0.79 0.83 0.00 0.00 -1.87 -0.52 103.07 103.35 3hsk h GLY 91 Ca 0.21 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 3hsk h GLY 91 CO -0.01 0.11 0.01 -1.80 0.00 0.00 0.00 176.54 174.84 3hsk h ASP 92 N 0.53 0.02 -0.03 0.19 3.58 -1.90 -2.66 116.42 116.16 3hsk h ASP 92 Ca 0.25 -0.18 -0.02 0.00 0.42 0.00 0.00 57.03 57.51 3hsk h ASP 92 Cb 0.18 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.22 3hsk h ASP 92 CO -0.18 0.20 -0.05 0.40 -2.88 0.00 0.00 179.24 176.73 3hsk h ILE 93 N -0.15 1.42 -0.36 2.25 2.04 -1.42 -2.70 117.51 118.58 3hsk h ILE 93 Ca 0.01 -1.31 -0.00 0.00 1.00 0.00 0.00 64.86 64.55 3hsk h ILE 93 Cb 0.18 2.23 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 3hsk h ILE 93 CO -0.00 0.35 0.22 -0.33 0.00 0.00 0.00 178.15 178.39 3hsk h GLU 94 N -0.42 0.49 -0.00 2.37 5.08 -1.19 -1.74 114.58 119.16 3hsk h GLU 94 Ca 0.00 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3hsk h GLU 94 Cb 0.59 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 3hsk h GLU 94 CO 0.01 0.35 0.00 -0.22 -1.00 0.00 0.00 179.01 178.15 3hsk h LYS 95 N 0.50 0.01 -0.59 2.33 1.63 -1.44 -1.84 116.57 117.16 3hsk h LYS 95 Ca 0.13 -0.00 0.12 0.00 -0.85 0.00 0.00 60.65 60.05 3hsk h LYS 95 Cb -0.01 -0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 31.52 3hsk h LYS 95 CO -0.02 0.11 0.02 0.77 -3.45 0.00 0.00 179.45 176.88 3hsk h SER 96 N -0.10 -0.21 -0.20 4.20 0.02 -1.04 -1.66 113.55 114.56 3hsk h SER 96 Ca 0.00 0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3hsk h SER 96 Cb 0.11 0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 3hsk h SER 96 CO -0.00 -0.08 0.10 -0.26 -1.14 0.00 0.00 176.83 175.44 3hsk h PHE 97 N 0.14 0.28 -0.84 3.45 -1.00 -1.16 -0.57 116.94 117.25 3hsk h PHE 97 Ca 0.31 -0.01 0.03 0.00 2.81 0.00 0.00 57.97 61.10 3hsk h PHE 97 Cb 0.48 -0.09 -0.05 0.00 3.61 0.00 0.00 35.95 39.91 3hsk h PHE 97 CO -0.33 0.29 0.55 0.28 -1.61 0.00 0.00 178.31 177.48 3hsk h VAL 98 N 0.20 1.15 0.00 -0.55 2.07 -1.16 -1.34 116.25 116.61 3hsk h VAL 98 Ca 0.07 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 3hsk h VAL 98 Cb 0.11 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.88 3hsk h VAL 98 CO -0.01 0.19 -0.14 -0.33 0.02 0.00 0.00 177.57 177.30 3hsk h GLU 99 N 1.05 0.00 0.00 1.57 5.08 -0.94 -2.47 114.58 118.88 3hsk h GLU 99 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3hsk h GLU 99 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3hsk h GLU 99 CO -0.09 0.14 0.00 0.00 -1.00 0.00 0.00 179.01 178.06 3hsk n ALA 100 N -2.15 2.41 -0.05 3.43 0.00 -0.25 -4.91 120.51 119.00 3hsk n ALA 100 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3hsk n ALA 100 Cb 0.51 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.49 3hsk n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hsk n GLY 101 N 1.28 0.83 3.87 0.00 0.00 -0.93 -5.05 105.19 105.20 3hsk n GLY 101 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3hsk n GLY 101 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hsk s LEU 102 N 0.00 3.98 -0.48 0.99 1.43 -0.56 -3.72 118.68 120.32 3hsk s LEU 102 Ca 0.00 1.06 -0.21 0.00 -1.03 0.00 0.00 54.13 53.94 3hsk s LEU 102 Cb 0.00 -3.89 0.04 0.00 0.03 0.00 0.00 46.19 42.37 3hsk s LEU 102 CO 0.00 -0.26 0.72 0.00 0.23 0.00 0.00 176.35 177.04 3hsk s ALA 103 N -2.14 3.31 -0.16 4.21 0.00 -1.26 -2.41 121.76 123.31 3hsk s ALA 103 Ca 0.50 -1.30 -0.06 0.00 0.00 0.00 0.00 51.96 51.10 3hsk s ALA 103 Cb -0.10 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 3hsk s ALA 103 CO 0.26 -1.97 0.05 0.08 0.00 0.00 0.00 175.76 174.18 3hsk s VAL 104 N 3.07 4.68 -0.25 0.00 1.01 0.47 -0.86 120.40 128.53 3hsk s VAL 104 Ca 0.24 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.15 3hsk s VAL 104 Cb -0.15 -3.07 0.06 0.00 0.00 0.00 0.00 36.38 33.23 3hsk s VAL 104 CO 0.18 0.51 -0.05 -0.69 0.00 0.00 0.00 175.10 175.05 3hsk s VAL 105 N -0.00 1.63 -0.00 2.92 1.01 -0.46 -0.89 120.40 124.60 3hsk s VAL 105 Ca 0.05 -1.36 0.06 0.00 0.00 0.00 0.00 61.98 60.74 3hsk s VAL 105 Cb -0.12 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 3hsk s VAL 105 CO 0.01 -0.15 -0.19 -0.55 0.00 0.00 0.00 175.10 174.22 3hsk s SER 106 N 1.34 3.70 0.03 3.32 0.15 -0.25 -0.78 113.70 121.20 3hsk s SER 106 Ca -0.04 -0.36 0.24 0.00 0.70 0.00 0.00 55.95 56.48 3hsk s SER 106 Cb -0.19 -0.62 0.24 0.00 -1.71 0.00 0.00 66.02 63.74 3hsk s SER 106 CO -0.07 0.30 1.21 -3.20 1.20 0.00 0.00 173.24 172.68 3hsk n ASN 107 N 2.00 0.63 -4.77 5.45 5.15 -0.31 0.29 115.26 123.69 3hsk n ASN 107 Ca -0.16 -0.31 -0.35 0.00 -0.60 0.00 0.00 54.58 53.15 3hsk n ASN 107 Cb 0.52 0.51 -0.00 0.00 -0.53 0.00 0.00 39.78 40.28 3hsk n ASN 107 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hsk s ALA 108 N -3.08 2.76 -0.45 5.20 0.00 -1.26 -4.84 121.76 120.10 3hsk s ALA 108 Ca 0.08 0.85 0.25 0.00 0.00 0.00 0.00 51.96 53.14 3hsk s ALA 108 Cb 0.16 -3.36 0.63 0.00 0.00 0.00 0.00 23.12 20.55 3hsk s ALA 108 CO 0.76 -0.73 1.71 1.57 0.00 0.00 0.00 175.76 179.06 3hsk h LYS 109 N 1.40 0.00 -0.88 0.00 2.10 -1.93 -3.40 116.57 113.86 3hsk h LYS 109 Ca -0.50 0.00 0.20 0.00 -2.00 0.00 0.00 60.65 58.35 3hsk h LYS 109 Cb 1.26 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 32.47 3hsk h LYS 109 CO 0.58 0.00 0.40 -0.91 -2.00 0.00 0.00 179.45 177.51 3hsk h ASN 110 N 0.00 0.36 -0.22 7.07 2.35 -1.92 -2.34 115.58 120.89 3hsk h ASN 110 Ca 0.00 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3hsk h ASN 110 Cb 0.83 0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.31 3hsk h ASN 110 CO 0.00 0.04 0.00 -1.22 -1.65 0.00 0.00 177.43 174.60 3hsk n TYR 111 N -5.01 0.27 -0.19 1.19 4.01 -1.26 -4.66 117.16 111.51 3hsk n TYR 111 Ca 0.21 -0.19 0.03 0.00 -0.16 0.00 0.00 57.90 57.78 3hsk n TYR 111 Cb 0.60 -0.01 0.30 0.00 -0.31 0.00 0.00 39.34 39.92 3hsk n TYR 111 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hsk h ARG 112 N 3.23 0.87 -0.00 -0.72 3.08 -1.68 -2.62 114.38 116.54 3hsk h ARG 112 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3hsk h ARG 112 Cb 0.76 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3hsk h ARG 112 CO 0.00 0.57 -0.22 0.54 -1.07 0.00 0.00 179.97 179.79 3hsk n ARG 113 N -4.45 0.61 -1.94 0.04 1.74 -1.26 -4.74 116.66 106.67 3hsk n ARG 113 Ca 0.09 -0.30 -0.42 0.00 -0.77 0.00 0.00 57.85 56.45 3hsk n ARG 113 Cb 0.10 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.02 3hsk n ARG 113 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3hsk s GLU 114 N -2.59 4.22 0.57 5.56 0.41 -0.99 -4.89 118.70 121.00 3hsk s GLU 114 Ca 0.24 2.37 0.28 0.00 -0.41 0.00 0.00 54.97 57.45 3hsk s GLU 114 Cb 0.19 -3.11 1.72 0.00 -1.78 0.00 0.00 34.13 31.15 3hsk s GLU 114 CO 0.53 -0.53 2.22 0.87 -0.49 0.00 0.00 175.26 177.86 3hsk h LYS 115 N 5.66 0.00 -0.01 1.61 1.57 -1.90 -2.02 116.57 121.48 3hsk h LYS 115 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3hsk h LYS 115 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3hsk h LYS 115 CO 0.83 0.02 -0.71 -0.40 -0.57 0.00 0.00 179.45 178.63 3hsk n ASP 116 N -3.88 1.28 -4.58 0.86 5.75 -1.26 -0.16 116.55 114.57 3hsk n ASP 116 Ca -0.03 -1.14 -0.40 0.00 -0.01 0.00 0.00 54.79 53.21 3hsk n ASP 116 Cb 0.11 0.79 -0.08 0.00 -1.03 0.00 0.00 41.12 40.91 3hsk n ASP 116 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3hsk s VAL 117 N -2.58 5.08 0.16 2.12 1.01 -0.76 -4.81 120.40 120.62 3hsk s VAL 117 Ca 0.11 0.50 -0.31 0.00 0.00 0.00 0.00 61.98 62.28 3hsk s VAL 117 Cb 0.15 -3.85 -0.10 0.00 0.00 0.00 0.00 36.38 32.58 3hsk s VAL 117 CO 0.67 -0.04 1.63 -2.84 0.00 0.00 0.00 175.10 174.53 3hsk s PRO 118 N 2.26 4.19 -0.35 2.72 0.02 -1.26 -4.75 135.00 137.82 3hsk s PRO 118 Ca 0.18 2.43 -0.09 0.00 0.02 0.00 0.00 61.00 63.53 3hsk s PRO 118 Cb -0.16 -3.24 0.03 0.00 0.02 0.00 0.00 34.50 31.16 3hsk s PRO 118 CO 0.11 -0.67 0.16 -1.17 -0.33 0.00 0.00 177.00 175.10 3hsk s LEU 119 N 1.49 4.50 -0.13 -5.54 2.96 -1.26 -1.21 118.68 119.48 3hsk s LEU 119 Ca 0.72 -0.99 0.03 0.00 -0.22 0.00 0.00 54.13 53.67 3hsk s LEU 119 Cb -0.45 -1.96 0.01 0.00 0.50 0.00 0.00 46.19 44.29 3hsk s LEU 119 CO 0.32 -0.34 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.10 3hsk s VAL 120 N 1.51 2.03 -0.49 1.68 1.01 -0.45 -4.62 120.40 121.06 3hsk s VAL 120 Ca 0.01 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 60.90 3hsk s VAL 120 Cb -0.19 -1.78 0.12 0.00 0.00 0.00 0.00 36.38 34.52 3hsk s VAL 120 CO 0.05 0.55 0.40 -0.69 0.00 0.00 0.00 175.10 175.41 3hsk s VAL 121 N 0.71 4.66 -0.09 2.92 1.01 -1.26 -3.48 120.40 124.86 3hsk s VAL 121 Ca -0.10 -1.59 0.27 0.00 0.00 0.00 0.00 61.98 60.56 3hsk s VAL 121 Cb -0.16 -3.99 0.27 0.00 0.00 0.00 0.00 36.38 32.50 3hsk s VAL 121 CO 0.01 -0.77 1.82 1.55 0.00 0.00 0.00 175.10 177.70 3hsk h PRO 122 N 8.63 0.00 -0.02 2.72 0.13 -1.89 0.62 132.00 142.19 3hsk h PRO 122 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3hsk h PRO 122 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3hsk h PRO 122 CO 0.92 0.00 0.00 0.44 -0.23 0.00 0.00 178.00 179.13 3hsk n ILE 123 N -2.45 0.02 0.05 -3.56 -5.35 -1.26 -4.26 119.36 102.54 3hsk n ILE 123 Ca -0.01 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 3hsk n ILE 123 Cb 0.10 0.20 0.00 0.00 -1.74 0.00 0.00 39.64 38.20 3hsk n ILE 123 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 3hsk n VAL 124 N -0.15 1.08 -2.95 7.28 0.31 0.20 -4.76 118.33 119.35 3hsk n VAL 124 Ca 0.20 0.36 -0.24 0.00 -0.01 0.00 0.00 64.34 64.64 3hsk n VAL 124 Cb 0.28 -1.54 -0.03 0.00 -0.91 0.00 0.00 33.84 31.63 3hsk n VAL 124 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3hsk n ASN 125 N -3.45 3.58 0.26 4.52 6.94 -0.36 -4.85 115.26 121.90 3hsk n ASN 125 Ca 0.00 -3.51 0.15 0.00 -0.02 0.00 0.00 54.58 51.20 3hsk n ASN 125 Cb 0.05 -0.56 0.58 0.00 -2.36 0.00 0.00 39.78 37.48 3hsk n ASN 125 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 3hsk h PRO 126 N 2.95 0.00 0.00 -0.53 0.13 -1.76 -2.87 132.00 129.91 3hsk h PRO 126 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3hsk h PRO 126 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 3hsk h PRO 126 CO 0.74 0.06 0.00 -0.85 -0.23 0.00 0.00 178.00 177.71 3hsk n GLU 127 N -3.17 0.15 0.26 0.86 0.00 -1.26 -1.40 120.64 116.08 3hsk n GLU 127 Ca 0.01 0.55 0.16 0.00 0.00 0.00 0.00 57.16 57.88 3hsk n GLU 127 Cb 0.36 -1.90 0.55 0.00 0.00 0.00 0.00 31.44 30.44 3hsk n GLU 127 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3hsk h HIS 128 N 0.00 0.00 0.00 -1.84 3.86 -1.92 -2.68 115.15 112.58 3hsk h HIS 128 Ca 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 3hsk h HIS 128 Cb 0.13 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 3hsk h HIS 128 CO 0.00 0.00 -0.10 0.82 0.86 0.00 0.00 177.93 179.51 3hsk h ILE 129 N 0.00 0.47 -0.53 2.45 2.04 -1.45 -2.88 117.51 117.61 3hsk h ILE 129 Ca -0.00 -0.50 0.15 0.00 1.00 0.00 0.00 64.86 65.51 3hsk h ILE 129 Cb 0.65 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 3hsk h ILE 129 CO 0.00 0.10 0.48 0.44 0.00 0.00 0.00 178.15 179.17 3hsk h ASP 130 N 0.00 0.00 -0.03 1.72 5.19 -1.65 -0.08 116.42 121.57 3hsk h ASP 130 Ca -0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3hsk h ASP 130 Cb 0.34 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.85 3hsk h ASP 130 CO 0.01 0.00 0.00 0.58 -3.12 0.00 0.00 179.24 176.72 3hsk h VAL 131 N 0.00 1.22 -0.41 -1.35 2.07 -1.73 0.16 116.25 116.22 3hsk h VAL 131 Ca 0.25 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3hsk h VAL 131 Cb 1.21 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 3hsk h VAL 131 CO -0.00 0.18 0.26 0.58 0.02 0.00 0.00 177.57 178.61 3hsk h VAL 132 N -0.23 1.11 -0.03 2.57 2.07 -1.38 -2.17 116.25 118.19 3hsk h VAL 132 Ca 0.01 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.35 3hsk h VAL 132 Cb 0.29 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 3hsk h VAL 132 CO 0.00 0.11 -0.23 -0.08 0.02 0.00 0.00 177.57 177.39 3hsk h GLU 133 N 0.55 -0.33 -0.32 1.57 4.81 -0.94 0.11 114.58 120.02 3hsk h GLU 133 Ca 0.15 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 3hsk h GLU 133 Cb -0.05 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3hsk h GLU 133 CO -0.03 -0.22 0.05 -0.91 -0.73 0.00 0.00 179.01 177.17 3hsk h ASN 134 N -0.34 0.44 -0.40 1.04 2.35 -0.93 0.24 115.58 117.97 3hsk h ASN 134 Ca 0.07 -0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 3hsk h ASN 134 Cb 0.44 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 3hsk h ASN 134 CO -0.23 0.46 0.02 0.50 -1.65 0.00 0.00 177.43 176.53 3hsk h LYS 135 N 0.47 0.70 -0.52 0.81 3.64 -0.82 -0.27 116.57 120.58 3hsk h LYS 135 Ca 0.11 -0.21 -0.11 0.00 -1.27 0.00 0.00 60.65 59.16 3hsk h LYS 135 Cb 0.22 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3hsk h LYS 135 CO 0.00 0.78 -0.11 0.28 -2.27 0.00 0.00 179.45 178.12 3hsk h VAL 136 N 0.53 1.27 -0.80 2.00 2.07 -0.14 -1.04 116.25 120.14 3hsk h VAL 136 Ca 0.12 -1.26 0.05 0.00 0.82 0.00 0.00 66.70 66.42 3hsk h VAL 136 Cb 0.45 1.01 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 3hsk h VAL 136 CO 0.02 0.44 0.49 0.50 0.02 0.00 0.00 177.57 179.04 3hsk h LYS 137 N 0.86 0.89 -0.59 1.57 3.64 -0.48 -0.99 116.57 121.46 3hsk h LYS 137 Ca 0.13 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 3hsk h LYS 137 Cb 0.68 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 3hsk h LYS 137 CO 0.05 0.59 0.09 1.96 -2.27 0.00 0.00 179.45 179.87 3hsk h GLN 138 N 0.92 0.99 -0.04 1.90 4.20 -0.61 -2.67 115.11 119.79 3hsk h GLN 138 Ca 0.34 -0.27 -0.12 0.00 0.06 0.00 0.00 58.65 58.66 3hsk h GLN 138 Cb 0.12 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3hsk h GLN 138 CO -0.15 0.93 -0.53 0.00 -0.67 0.00 0.00 178.83 178.41 3hsk h ALA 139 N 1.01 1.04 -0.27 3.87 0.00 -0.82 -1.90 119.26 122.20 3hsk h ALA 139 Ca 0.18 -0.49 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 3hsk h ALA 139 Cb 0.43 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3hsk h ALA 139 CO 0.01 0.68 -0.18 0.28 0.00 0.00 0.00 179.25 180.04 3hsk h VAL 140 N 0.08 1.30 -0.70 0.00 2.07 -1.12 0.31 116.25 118.20 3hsk h VAL 140 Ca -0.00 -1.30 -0.07 0.00 0.82 0.00 0.00 66.70 66.15 3hsk h VAL 140 Cb 0.97 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.27 3hsk h VAL 140 CO 0.08 0.41 0.18 -1.28 0.02 0.00 0.00 177.57 176.97 3hsk h SER 141 N 0.33 1.05 0.12 0.57 0.87 -1.43 -2.49 113.55 112.58 3hsk h SER 141 Ca 0.06 -0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.38 3hsk h SER 141 Cb 0.71 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 3hsk h SER 141 CO 0.05 1.01 -0.06 0.50 -0.53 0.00 0.00 176.83 177.80 3hsk h LYS 142 N 1.05 -0.15 0.00 2.24 3.64 -1.29 -3.42 116.57 118.64 3hsk h LYS 142 Ca 0.22 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3hsk h LYS 142 Cb 0.36 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3hsk h LYS 142 CO 0.00 -0.10 -1.69 0.41 -2.27 0.00 0.00 179.45 175.80 3hsk n GLY 143 N 1.37 -0.69 0.44 5.01 0.00 0.11 -5.01 105.19 106.42 3hsk n GLY 143 Ca -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3hsk n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hsk n GLY 144 N 1.65 3.14 3.67 -0.02 0.00 -0.94 -5.01 105.19 107.68 3hsk n GLY 144 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 3hsk n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hsk s LYS 145 N -0.35 2.40 0.38 1.61 3.01 -1.26 -4.82 119.74 120.72 3hsk s LYS 145 Ca 0.00 -1.25 -0.26 0.00 -1.01 0.00 0.00 55.97 53.45 3hsk s LYS 145 Cb 0.00 -2.29 -0.09 0.00 -1.01 0.00 0.00 37.83 34.45 3hsk s LYS 145 CO 0.00 0.41 1.16 0.15 0.51 0.00 0.00 175.35 177.58 3hsk s LYS 146 N -3.38 4.17 0.27 1.68 1.02 -1.26 -3.94 119.74 118.29 3hsk s LYS 146 Ca 0.30 1.83 0.15 0.00 0.02 0.00 0.00 55.97 58.27 3hsk s LYS 146 Cb -0.08 -2.76 0.05 0.00 -0.52 0.00 0.00 37.83 34.52 3hsk s LYS 146 CO 0.20 -0.22 1.42 -1.00 -0.92 0.00 0.00 175.35 174.83 3hsk h PRO 147 N 2.84 0.00 0.00 -1.68 0.13 -1.88 -3.47 132.00 127.94 3hsk h PRO 147 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3hsk h PRO 147 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3hsk h PRO 147 CO 0.63 0.52 0.00 0.41 -0.23 0.00 0.00 178.00 179.34 3hsk n GLY 148 N 1.24 -0.21 3.64 1.56 0.00 -1.24 -4.47 105.19 105.70 3hsk n GLY 148 Ca 0.02 -1.39 -0.08 0.00 0.00 0.00 0.00 46.02 44.56 3hsk n GLY 148 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hsk s PHE 149 N -1.47 -0.32 -0.05 1.61 -0.12 -1.01 -4.93 117.98 111.68 3hsk s PHE 149 Ca 0.00 0.02 0.06 0.00 -0.05 0.00 0.00 56.93 56.97 3hsk s PHE 149 Cb 0.00 0.62 -0.01 0.00 -0.63 0.00 0.00 43.02 43.00 3hsk s PHE 149 CO 0.00 -0.93 -0.24 0.42 -0.05 0.00 0.00 175.22 174.42 3hsk s ILE 150 N -3.63 1.95 -0.13 -4.49 1.01 -1.26 -0.39 121.20 114.26 3hsk s ILE 150 Ca 0.07 -1.02 0.02 0.00 0.00 0.00 0.00 60.65 59.72 3hsk s ILE 150 Cb -0.03 -1.65 0.00 0.00 0.01 0.00 0.00 42.46 40.79 3hsk s ILE 150 CO -0.03 0.55 -0.19 -0.63 0.00 0.00 0.00 174.94 174.63 3hsk s ILE 151 N -0.20 2.39 0.08 2.92 1.09 -0.07 -4.30 121.20 123.10 3hsk s ILE 151 Ca -0.02 -0.88 -0.13 0.00 -1.10 0.00 0.00 60.65 58.53 3hsk s ILE 151 Cb -0.13 -1.97 -0.06 0.00 -1.06 0.00 0.00 42.46 39.24 3hsk s ILE 151 CO 0.03 0.54 0.45 0.00 -0.10 0.00 0.00 174.94 175.85 3hsk s ILE 153 N -1.32 5.33 0.41 0.00 1.01 0.15 -1.34 121.20 125.43 3hsk s ILE 153 Ca 0.32 0.16 -0.24 0.00 0.00 0.00 0.00 60.65 60.89 3hsk s ILE 153 Cb -0.15 -3.43 -0.09 0.00 0.01 0.00 0.00 42.46 38.80 3hsk s ILE 153 CO 0.17 0.45 1.04 -0.44 0.00 0.00 0.00 174.94 176.16 3hsk s SER 154 N 0.33 6.73 0.85 3.58 0.01 -1.23 -4.65 113.70 119.31 3hsk s SER 154 Ca 0.08 2.02 -0.11 0.00 1.31 0.00 0.00 55.95 59.24 3hsk s SER 154 Cb -0.11 -2.58 0.10 0.00 0.21 0.00 0.00 66.02 63.64 3hsk s SER 154 CO -0.02 -0.51 1.14 0.20 0.41 0.00 0.00 173.24 174.46 3hsk s ASN 155 N -1.62 3.55 0.47 2.44 0.01 -1.26 -4.75 114.94 113.78 3hsk s ASN 155 Ca 0.59 2.12 0.18 0.00 -0.71 0.00 0.00 52.86 55.03 3hsk s ASN 155 Cb -0.21 -2.56 1.16 0.00 0.41 0.00 0.00 41.25 40.05 3hsk s ASN 155 CO 0.26 -2.68 1.98 0.00 -1.51 0.00 0.00 177.10 175.16 3hsk h SER 157 N 0.26 0.64 -0.29 0.00 0.87 -1.92 -1.27 113.55 111.84 3hsk h SER 157 Ca 0.27 -0.27 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 3hsk h SER 157 Cb 0.71 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 3hsk h SER 157 CO -0.06 0.75 -0.15 0.74 -0.53 0.00 0.00 176.83 177.58 3hsk h THR 158 N 0.50 1.30 -0.92 2.23 2.02 -1.79 -2.89 112.91 113.36 3hsk h THR 158 Ca 0.12 -1.25 0.06 0.00 0.77 0.00 0.00 66.41 66.11 3hsk h THR 158 Cb 0.39 1.50 -0.06 0.00 -1.74 0.00 0.00 68.15 68.24 3hsk h THR 158 CO 0.01 0.40 0.59 0.00 0.37 0.00 0.00 175.52 176.88 3hsk h ALA 159 N 0.74 1.26 -0.53 6.16 0.00 -1.34 -1.60 119.26 123.96 3hsk h ALA 159 Ca 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3hsk h ALA 159 Cb 0.67 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3hsk h ALA 159 CO 0.04 0.37 0.25 0.78 0.00 0.00 0.00 179.25 180.70 3hsk h GLY 160 N 1.08 0.82 0.94 0.00 0.00 -1.21 -1.18 103.07 103.52 3hsk h GLY 160 Ca 0.39 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 3hsk h GLY 160 CO -0.16 0.39 -0.03 -2.00 0.00 0.00 0.00 176.54 174.74 3hsk h LEU 161 N 0.71 -0.06 -0.18 3.11 5.85 -1.21 -3.26 115.31 120.27 3hsk h LEU 161 Ca 0.18 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 3hsk h LEU 161 Cb 0.12 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3hsk h LEU 161 CO -0.02 0.02 -0.26 1.62 -0.34 0.00 0.00 178.44 179.45 3hsk h VAL 162 N -0.13 0.47 -0.11 1.05 3.04 -1.22 -3.36 116.25 115.99 3hsk h VAL 162 Ca -0.01 -1.57 0.04 0.00 -1.01 0.00 0.00 66.70 64.15 3hsk h VAL 162 Cb 0.11 2.16 -0.06 0.00 -2.01 0.00 0.00 31.29 31.49 3hsk h VAL 162 CO 0.01 0.26 -0.34 0.00 -1.01 0.00 0.00 177.57 176.49 3hsk h ALA 163 N 1.74 -0.42 0.00 3.17 0.00 -1.26 -2.15 119.26 120.34 3hsk h ALA 163 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hsk h ALA 163 Cb 1.14 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.55 3hsk h ALA 163 CO 0.03 -0.82 0.00 -0.35 0.00 0.00 0.00 179.25 178.11 3hsk n PRO 164 N -5.42 0.22 0.07 0.00 -0.04 -1.26 -3.50 135.00 125.08 3hsk n PRO 164 Ca -0.04 0.31 -0.12 0.00 -0.04 0.00 0.00 63.50 63.62 3hsk n PRO 164 Cb 0.33 -1.83 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 3hsk n PRO 164 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3hsk h LEU 165 N 0.00 0.44 0.12 1.53 3.38 -1.56 -3.31 115.31 115.92 3hsk h LEU 165 Ca 0.00 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.64 3hsk h LEU 165 Cb 0.54 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 3hsk h LEU 165 CO 0.00 1.15 -0.29 0.50 0.09 0.00 0.00 178.44 179.89 3hsk h LYS 166 N 0.19 -0.49 -0.51 1.13 1.63 -1.52 0.32 116.57 117.33 3hsk h LYS 166 Ca -0.07 0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.74 3hsk h LYS 166 Cb 1.54 0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 33.26 3hsk h LYS 166 CO 0.15 -0.33 0.18 -1.00 -3.45 0.00 0.00 179.45 175.01 3hsk h PRO 167 N -0.51 0.73 -0.34 1.90 0.13 -1.77 -1.58 132.00 130.57 3hsk h PRO 167 Ca 0.03 -0.11 -0.00 0.00 -0.87 0.00 0.00 66.00 65.05 3hsk h PRO 167 Cb 0.53 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.52 3hsk h PRO 167 CO -0.17 0.62 0.21 -0.07 -0.23 0.00 0.00 178.00 178.36 3hsk h LEU 168 N 0.72 0.40 -0.60 1.56 3.38 -1.50 -1.75 115.31 117.52 3hsk h LEU 168 Ca 0.17 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 3hsk h LEU 168 Cb 0.17 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3hsk h LEU 168 CO -0.01 0.32 -0.00 0.58 0.09 0.00 0.00 178.44 179.42 3hsk h VAL 169 N 0.45 1.27 -0.40 1.22 2.07 -0.73 0.31 116.25 120.42 3hsk h VAL 169 Ca 0.12 -1.15 0.05 0.00 0.82 0.00 0.00 66.70 66.53 3hsk h VAL 169 Cb -0.01 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 3hsk h VAL 169 CO -0.02 0.42 0.15 -0.33 0.02 0.00 0.00 177.57 177.81 3hsk h GLU 170 N 0.96 0.31 0.09 1.57 5.08 -1.07 -0.88 114.58 120.64 3hsk h GLU 170 Ca 0.17 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.39 3hsk h GLU 170 Cb 0.56 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.76 3hsk h GLU 170 CO 0.03 0.21 -0.56 -0.22 -1.00 0.00 0.00 179.01 177.47 3hsk h LYS 171 N 0.32 0.20 -0.26 2.33 3.64 -1.10 -3.39 116.57 118.31 3hsk h LYS 171 Ca 0.18 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3hsk h LYS 171 Cb 0.15 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3hsk h LYS 171 CO -0.18 1.16 0.00 1.19 -2.27 0.00 0.00 179.45 179.36 3hsk n PHE 172 N -4.28 0.34 0.00 1.91 3.01 0.11 -5.10 117.46 113.45 3hsk n PHE 172 Ca -0.13 -0.36 0.00 0.00 1.01 0.00 0.00 57.45 57.97 3hsk n PHE 172 Cb 0.71 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 40.16 3hsk n PHE 172 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hsk n GLY 173 N 0.56 -1.25 3.55 1.37 0.00 -0.34 -4.62 105.19 104.47 3hsk n GLY 173 Ca 0.10 -1.58 -0.35 0.00 0.00 0.00 0.00 46.02 44.19 3hsk n GLY 173 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hsk n PRO 174 N -1.20 0.33 -3.83 1.61 -0.02 -1.26 -4.22 135.00 126.41 3hsk n PRO 174 Ca 0.00 0.16 -0.36 0.00 -2.02 0.00 0.00 63.50 61.29 3hsk n PRO 174 Cb 0.00 -2.07 -0.13 0.00 -0.02 0.00 0.00 33.50 31.28 3hsk n PRO 174 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hsk s ILE 175 N -1.93 3.94 -1.25 4.25 1.01 -1.26 -0.95 121.20 125.01 3hsk s ILE 175 Ca 0.69 -0.30 0.23 0.00 0.00 0.00 0.00 60.65 61.27 3hsk s ILE 175 Cb -0.33 -2.82 -0.05 0.00 0.01 0.00 0.00 42.46 39.26 3hsk s ILE 175 CO 0.55 0.37 1.19 -0.90 0.00 0.00 0.00 174.94 176.15 3hsk n ASP 176 N 4.85 0.98 -3.75 3.58 5.68 -0.51 -4.61 116.55 122.77 3hsk n ASP 176 Ca -0.17 -0.81 -0.13 0.00 -0.50 0.00 0.00 54.79 53.19 3hsk n ASP 176 Cb 0.51 0.56 -0.11 0.00 -1.14 0.00 0.00 41.12 40.94 3hsk n ASP 176 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hsk s ALA 177 N -2.86 -0.79 -0.25 2.12 0.00 -1.22 -0.79 121.76 117.96 3hsk s ALA 177 Ca 0.13 0.97 -0.11 0.00 0.00 0.00 0.00 51.96 52.94 3hsk s ALA 177 Cb 0.17 -0.57 0.10 0.00 0.00 0.00 0.00 23.12 22.82 3hsk s ALA 177 CO 0.72 -0.17 0.58 -1.17 0.00 0.00 0.00 175.76 175.73 3hsk s LEU 178 N 0.38 -0.83 0.12 0.00 2.96 0.06 -1.24 118.68 120.14 3hsk s LEU 178 Ca -0.02 1.34 0.06 0.00 -0.22 0.00 0.00 54.13 55.30 3hsk s LEU 178 Cb -0.04 2.00 -0.04 0.00 0.50 0.00 0.00 46.19 48.62 3hsk s LEU 178 CO -0.02 -0.22 -0.03 0.42 -1.32 0.00 0.00 176.35 175.18 3hsk s THR 179 N 2.22 3.71 -0.11 3.68 -4.23 0.09 -0.91 115.64 120.09 3hsk s THR 179 Ca -0.07 -1.22 -0.05 0.00 -1.18 0.00 0.00 61.69 59.17 3hsk s THR 179 Cb -0.09 -2.79 0.05 0.00 1.34 0.00 0.00 72.50 71.01 3hsk s THR 179 CO -0.17 0.04 0.24 -0.89 -0.54 0.00 0.00 174.62 173.30 3hsk s THR 180 N -1.42 -0.14 -0.18 3.99 2.01 -0.14 -2.16 115.64 117.60 3hsk s THR 180 Ca 0.25 0.19 -0.04 0.00 0.31 0.00 0.00 61.69 62.40 3hsk s THR 180 Cb -0.11 -0.38 -0.02 0.00 0.01 0.00 0.00 72.50 72.00 3hsk s THR 180 CO 0.17 0.08 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.25 3hsk s THR 181 N 1.57 3.72 -0.01 -0.82 2.01 -0.54 0.18 115.64 121.76 3hsk s THR 181 Ca -0.06 -0.40 -0.01 0.00 0.31 0.00 0.00 61.69 61.53 3hsk s THR 181 Cb -0.11 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 3hsk s THR 181 CO -0.08 0.46 0.08 0.42 -0.69 0.00 0.00 174.62 174.80 3hsk s THR 182 N 0.82 4.70 -0.50 -0.82 -4.23 -0.25 -0.54 115.64 114.82 3hsk s THR 182 Ca -0.01 -0.40 0.04 0.00 -1.18 0.00 0.00 61.69 60.14 3hsk s THR 182 Cb -0.14 -3.14 0.13 0.00 1.34 0.00 0.00 72.50 70.68 3hsk s THR 182 CO 0.02 0.37 0.23 -0.76 -0.54 0.00 0.00 174.62 173.94 3hsk s LEU 183 N -1.68 4.39 -0.14 4.79 1.02 0.13 -2.03 118.68 125.16 3hsk s LEU 183 Ca 0.22 -2.90 -0.13 0.00 0.02 0.00 0.00 54.13 51.34 3hsk s LEU 183 Cb -0.12 -1.64 -0.05 0.00 0.02 0.00 0.00 46.19 44.40 3hsk s LEU 183 CO 0.13 -0.25 0.28 -1.10 0.02 0.00 0.00 176.35 175.43 3hsk s GLN 184 N -0.14 4.14 0.73 1.70 -0.21 0.80 -1.63 119.66 125.06 3hsk s GLN 184 Ca 0.16 0.09 -0.11 0.00 0.02 0.00 0.00 55.36 55.52 3hsk s GLN 184 Cb -0.25 -3.38 0.03 0.00 1.00 0.00 0.00 33.01 30.41 3hsk s GLN 184 CO -0.01 0.34 1.08 0.00 -2.12 0.00 0.00 175.29 174.58 3hsk s ALA 185 N 0.16 2.59 0.25 6.09 0.00 -1.26 -1.18 121.76 128.40 3hsk s ALA 185 Ca 0.17 -0.09 -0.04 0.00 0.00 0.00 0.00 51.96 51.99 3hsk s ALA 185 Cb -0.13 -3.12 0.28 0.00 0.00 0.00 0.00 23.12 20.15 3hsk s ALA 185 CO 0.05 -1.35 1.80 0.82 0.00 0.00 0.00 175.76 177.08 3hsk h ILE 186 N -0.81 1.24 0.00 0.00 2.04 -0.75 -3.47 117.51 115.77 3hsk h ILE 186 Ca -0.45 -0.82 -0.06 0.00 1.00 0.00 0.00 64.86 64.53 3hsk h ILE 186 Cb 1.23 0.49 0.01 0.00 -0.74 0.00 0.00 36.82 37.82 3hsk h ILE 186 CO 0.59 0.32 0.47 -0.24 0.00 0.00 0.00 178.15 179.29 3hsk n SER 187 N -4.27 -0.46 0.00 1.72 2.88 0.55 -4.96 113.62 109.08 3hsk n SER 187 Ca 0.06 -0.78 0.00 0.00 -1.33 0.00 0.00 58.87 56.82 3hsk n SER 187 Cb 0.21 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 3hsk n SER 187 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3hsk n PRO 193 N 3.73 0.00 0.00 -1.46 -0.04 -1.26 -5.09 135.00 130.88 3hsk n PRO 193 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 3hsk n PRO 193 Cb 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.64 3hsk n PRO 193 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hsk n GLY 194 N 0.00 -0.26 3.04 0.55 0.00 -1.26 -4.84 105.19 102.43 3hsk n GLY 194 Ca 0.00 -1.07 -0.02 0.00 0.00 0.00 0.00 46.02 44.93 3hsk n GLY 194 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hsk s VAL 195 N 0.00 -0.82 0.89 1.61 0.11 -1.26 -5.17 120.40 115.75 3hsk s VAL 195 Ca 0.00 -0.03 -0.12 0.00 -2.93 0.00 0.00 61.98 58.90 3hsk s VAL 195 Cb 0.00 -0.92 0.12 0.00 -1.53 0.00 0.00 36.38 34.06 3hsk s VAL 195 CO 0.00 -0.06 1.11 -0.94 -3.33 0.00 0.00 175.10 171.89 3hsk s SER 196 N 2.72 3.69 0.24 3.54 1.04 -1.26 -4.97 113.70 118.69 3hsk s SER 196 Ca 0.17 1.15 0.01 0.00 0.48 0.00 0.00 55.95 57.76 3hsk s SER 196 Cb -0.15 -1.80 0.27 0.00 0.10 0.00 0.00 66.02 64.44 3hsk s SER 196 CO -0.19 -2.46 1.60 1.23 0.98 0.00 0.00 173.24 174.41 3hsk h GLY 197 N -1.43 0.48 0.74 7.32 0.00 -2.00 -3.12 103.07 105.06 3hsk h GLY 197 Ca -0.50 -0.50 0.10 0.00 0.00 0.00 0.00 47.33 46.44 3hsk h GLY 197 CO 0.60 0.45 0.55 1.98 0.00 0.00 0.00 176.54 180.12 3hsk h MET 198 N 0.36 0.77 -0.17 4.80 -1.53 -1.93 0.98 114.93 118.20 3hsk h MET 198 Ca 0.02 -0.05 -0.22 0.00 -3.44 0.00 0.00 59.70 56.02 3hsk h MET 198 Cb 0.93 -0.17 0.01 0.00 -0.55 0.00 0.00 31.60 31.82 3hsk h MET 198 CO 0.08 0.51 -0.74 -0.44 0.14 0.00 0.00 176.91 176.46 3hsk h ASP 199 N 0.79 0.93 0.00 1.39 3.32 -1.93 -3.41 116.42 117.52 3hsk h ASP 199 Ca 0.40 -0.59 -0.22 0.00 0.02 0.00 0.00 57.03 56.64 3hsk h ASP 199 Cb 0.47 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 3hsk h ASP 199 CO -0.16 1.39 -1.82 0.00 -1.72 0.00 0.00 179.24 176.92 3hsk n ILE 200 N -3.94 0.83 -1.72 0.35 0.13 -1.01 -4.77 119.36 109.22 3hsk n ILE 200 Ca -0.07 -0.44 -0.43 0.00 -1.10 0.00 0.00 62.75 60.72 3hsk n ILE 200 Cb 0.73 -0.81 -0.03 0.00 -0.84 0.00 0.00 39.64 38.69 3hsk n ILE 200 CO 0.00 0.00 0.00 -0.11 2.80 0.00 0.00 176.55 179.24 3hsk n LEU 201 N -2.61 3.93 -4.03 9.51 7.94 0.31 -1.57 117.00 130.48 3hsk n LEU 201 Ca -0.22 1.10 -0.33 0.00 -1.11 0.00 0.00 56.01 55.46 3hsk n LEU 201 Cb 0.85 -1.55 0.01 0.00 0.53 0.00 0.00 43.42 43.26 3hsk n LEU 201 CO 0.21 0.06 0.06 -0.67 -1.11 0.00 0.00 177.39 175.94 3hsk n ASP 202 N 3.13 -4.33 -3.74 1.96 2.03 -1.26 -4.93 116.55 109.42 3hsk n ASP 202 Ca 0.13 -0.86 -0.09 0.00 0.52 0.00 0.00 54.79 54.49 3hsk n ASP 202 Cb 0.34 -3.48 -0.03 0.00 -0.72 0.00 0.00 41.12 37.24 3hsk n ASP 202 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 3hsk s ASN 203 N -3.28 -0.32 -0.02 1.67 2.47 -0.61 -5.15 114.94 109.70 3hsk s ASN 203 Ca 0.70 -0.46 0.04 0.00 0.42 0.00 0.00 52.86 53.56 3hsk s ASN 203 Cb -0.36 0.65 -0.01 0.00 -1.45 0.00 0.00 41.25 40.08 3hsk s ASN 203 CO 0.86 -1.17 -0.14 -0.63 -3.72 0.00 0.00 177.10 172.30 3hsk s ILE 204 N -3.88 1.14 -0.32 -5.21 1.01 -1.26 -4.17 121.20 108.51 3hsk s ILE 204 Ca 0.09 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.17 3hsk s ILE 204 Cb -0.03 -0.97 0.08 0.00 0.01 0.00 0.00 42.46 41.55 3hsk s ILE 204 CO 0.00 0.33 0.01 -0.69 0.00 0.00 0.00 174.94 174.59 3hsk s VAL 205 N -0.15 2.47 -0.05 2.92 1.01 -0.82 -4.99 120.40 120.79 3hsk s VAL 205 Ca 0.02 -1.93 0.00 0.00 0.00 0.00 0.00 61.98 60.07 3hsk s VAL 205 Cb -0.07 -2.63 0.05 0.00 0.00 0.00 0.00 36.38 33.73 3hsk s VAL 205 CO 0.00 -0.34 1.59 -0.81 0.00 0.00 0.00 175.10 175.54 3hsk n PRO 206 N 4.41 1.14 -3.62 2.72 -0.04 -1.26 -0.80 135.00 137.55 3hsk n PRO 206 Ca -0.05 -0.29 -0.02 0.00 -0.04 0.00 0.00 63.50 63.10 3hsk n PRO 206 Cb 0.42 -1.11 -0.04 0.00 -0.04 0.00 0.00 33.50 32.72 3hsk n PRO 206 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3hsk s TYR 207 N -0.33 -1.30 -0.21 0.54 5.04 -1.20 -4.76 117.35 115.13 3hsk s TYR 207 Ca 0.06 2.19 0.01 0.00 -2.44 0.00 0.00 57.07 56.89 3hsk s TYR 207 Cb 0.05 0.73 0.03 0.00 0.35 0.00 0.00 41.96 43.12 3hsk s TYR 207 CO 0.00 -0.66 -0.16 0.42 -1.34 0.00 0.00 175.55 173.81 3hsk s ILE 208 N 2.86 2.17 -0.04 3.14 1.01 -1.26 -4.80 121.20 124.28 3hsk s ILE 208 Ca -0.04 -1.15 -0.35 0.00 0.00 0.00 0.00 60.65 59.12 3hsk s ILE 208 Cb -0.12 -2.04 -0.13 0.00 0.01 0.00 0.00 42.46 40.18 3hsk s ILE 208 CO -0.18 0.35 1.76 -0.24 0.00 0.00 0.00 174.94 176.62 3hsk n SER 209 N 4.57 3.13 0.00 3.58 2.88 -1.26 -1.56 113.62 124.95 3hsk n SER 209 Ca -0.19 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.38 3hsk n SER 209 Cb 0.47 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 3hsk n SER 209 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hsk n GLY 210 N 4.02 2.68 0.06 0.46 0.00 -1.26 -4.90 105.19 106.25 3hsk n GLY 210 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 3hsk n GLY 210 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hsk h GLU 211 N 1.63 -0.04 -0.71 1.61 4.57 -1.73 -1.34 114.58 118.56 3hsk h GLU 211 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3hsk h GLU 211 Cb 0.00 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 3hsk h GLU 211 CO 0.00 0.23 0.39 0.93 -1.18 0.00 0.00 179.01 179.38 3hsk h GLU 212 N -0.30 0.99 -0.15 1.92 5.08 -1.90 0.21 114.58 120.43 3hsk h GLU 212 Ca -0.00 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3hsk h GLU 212 Cb 0.28 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3hsk h GLU 212 CO 0.01 0.74 -0.01 0.22 -1.00 0.00 0.00 179.01 178.97 3hsk h ASP 213 N 0.98 -0.07 0.05 1.42 3.58 -1.91 0.04 116.42 120.51 3hsk h ASP 213 Ca 0.25 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.73 3hsk h ASP 213 Cb 0.04 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.15 3hsk h ASP 213 CO -0.04 -0.01 -0.02 0.11 -2.88 0.00 0.00 179.24 176.39 3hsk h LYS 214 N 0.04 -0.07 -0.86 0.28 1.57 -0.97 -0.80 116.57 115.76 3hsk h LYS 214 Ca 0.07 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.99 3hsk h LYS 214 Cb 0.09 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.33 3hsk h LYS 214 CO -0.13 -0.01 0.47 1.25 -0.57 0.00 0.00 179.45 180.46 3hsk h LEU 215 N -0.11 0.60 0.01 2.94 5.85 -0.76 0.11 115.31 123.95 3hsk h LEU 215 Ca -0.01 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 3hsk h LEU 215 Cb 0.09 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.10 3hsk h LEU 215 CO 0.01 0.28 -0.24 -0.33 -0.34 0.00 0.00 178.44 177.82 3hsk h GLU 216 N 0.69 0.16 0.20 1.25 5.08 -0.74 -3.19 114.58 118.02 3hsk h GLU 216 Ca 0.45 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 3hsk h GLU 216 Cb 0.58 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3hsk h GLU 216 CO -0.33 0.93 -0.09 2.35 -1.00 0.00 0.00 179.01 180.87 3hsk h TRP 217 N -0.55 -0.24 -0.62 4.33 7.01 -1.03 -3.34 115.95 121.51 3hsk h TRP 217 Ca -0.03 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.02 3hsk h TRP 217 Cb 1.02 0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 28.13 3hsk h TRP 217 CO 0.19 0.15 0.41 0.93 -2.79 0.00 0.00 178.44 177.33 3hsk h GLU 218 N -0.75 0.61 -0.58 2.65 5.08 -0.93 -2.35 114.58 118.31 3hsk h GLU 218 Ca -0.03 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.38 3hsk h GLU 218 Cb 0.51 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.55 3hsk h GLU 218 CO 0.04 0.40 0.22 1.15 -1.00 0.00 0.00 179.01 179.83 3hsk h THR 219 N 0.63 0.80 -0.11 1.13 2.02 -1.67 0.42 112.91 116.12 3hsk h THR 219 Ca 0.26 -0.14 -0.07 0.00 0.77 0.00 0.00 66.41 67.23 3hsk h THR 219 Cb 0.24 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 3hsk h THR 219 CO -0.08 0.07 -0.27 0.11 0.37 0.00 0.00 175.52 175.73 3hsk h LYS 220 N 0.40 0.20 -0.00 6.66 1.57 -1.56 -0.56 116.57 123.29 3hsk h LYS 220 Ca 0.29 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.92 3hsk h LYS 220 Cb 0.33 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.63 3hsk h LYS 220 CO -0.28 0.46 -0.29 -0.22 -0.57 0.00 0.00 179.45 178.55 3hsk h LYS 221 N 0.18 0.20 -0.60 3.15 3.64 -1.44 -1.15 116.57 120.56 3hsk h LYS 221 Ca 0.03 -0.22 0.03 0.00 -1.27 0.00 0.00 60.65 59.23 3hsk h LYS 221 Cb 0.58 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.42 3hsk h LYS 221 CO 0.04 0.95 0.35 0.82 -2.27 0.00 0.00 179.45 179.34 3hsk h ILE 222 N -0.46 1.04 -0.12 2.00 2.04 -0.72 -1.60 117.51 119.69 3hsk h ILE 222 Ca -0.04 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.59 3hsk h ILE 222 Cb 1.05 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3hsk h ILE 222 CO 0.06 0.13 0.00 0.18 0.00 0.00 0.00 178.15 178.51 3hsk n LEU 223 N -4.76 1.60 0.00 1.44 4.77 -0.24 -4.74 117.00 115.07 3hsk n LEU 223 Ca 0.06 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 3hsk n LEU 223 Cb 0.10 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3hsk n LEU 223 CO 0.32 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3hsk n GLY 224 N 1.14 -0.76 0.00 -0.72 0.00 -0.60 -4.86 105.19 99.39 3hsk n GLY 224 Ca 0.17 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.52 3hsk n GLY 224 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hsk n GLY 225 N 5.00 6.36 3.29 -0.02 0.00 -0.63 -4.97 105.19 114.22 3hsk n GLY 225 Ca 0.00 -1.79 -0.25 0.00 0.00 0.00 0.00 46.02 43.98 3hsk n GLY 225 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hsk s VAL 226 N -0.08 1.80 0.92 1.61 1.01 -1.26 -0.46 120.40 123.93 3hsk s VAL 226 Ca 0.00 -1.45 -0.12 0.00 0.00 0.00 0.00 61.98 60.41 3hsk s VAL 226 Cb 0.00 -1.60 0.14 0.00 0.00 0.00 0.00 36.38 34.93 3hsk s VAL 226 CO 0.00 0.07 1.09 0.54 0.00 0.00 0.00 175.10 176.80 3hsk s ASN 227 N -1.65 3.24 0.28 3.32 2.20 -0.41 -4.79 114.94 117.13 3hsk s ASN 227 Ca 0.08 1.47 0.02 0.00 -0.94 0.00 0.00 52.86 53.49 3hsk s ASN 227 Cb -0.10 -2.15 0.66 0.00 -2.00 0.00 0.00 41.25 37.66 3hsk s ASN 227 CO 0.04 -2.78 1.71 0.00 -2.94 0.00 0.00 177.10 173.12 3hsk h ALA 228 N -1.65 1.36 0.00 3.54 0.00 -2.01 0.85 119.26 121.35 3hsk h ALA 228 Ca -0.50 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3hsk h ALA 228 Cb 1.29 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3hsk h ALA 228 CO 0.54 -0.27 0.00 1.05 0.00 0.00 0.00 179.25 180.57 3hsk h GLU 229 N 0.45 0.00 -1.55 0.00 -0.00 -1.96 -3.47 114.58 108.05 3hsk h GLU 229 Ca 0.52 0.00 -0.13 0.00 -0.00 0.00 0.00 59.36 59.76 3hsk h GLU 229 Cb 0.93 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.69 3hsk h GLU 229 CO -0.48 0.00 -0.18 0.41 -0.00 0.00 0.00 179.01 178.76 3hsk n GLY 230 N 0.43 0.26 0.00 1.06 0.00 0.29 -4.94 105.19 102.30 3hsk n GLY 230 Ca 0.03 -0.52 0.01 0.00 0.00 0.00 0.00 46.02 45.53 3hsk n GLY 230 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3hsk n THR 231 N -3.72 0.00 -4.03 2.61 5.66 -1.26 -4.63 114.28 108.92 3hsk n THR 231 Ca -0.05 -0.06 -0.08 0.00 -3.05 0.00 0.00 64.05 60.82 3hsk n THR 231 Cb 0.54 0.50 -0.09 0.00 -1.55 0.00 0.00 70.33 69.73 3hsk n THR 231 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3hsk s GLU 232 N -2.05 0.71 -0.08 1.09 2.02 -1.26 -4.63 118.70 114.51 3hsk s GLU 232 Ca -0.00 -1.16 -0.12 0.00 0.02 0.00 0.00 54.97 53.70 3hsk s GLU 232 Cb 0.01 0.25 -0.05 0.00 0.10 0.00 0.00 34.13 34.44 3hsk s GLU 232 CO 0.06 -0.17 0.30 -0.06 0.02 0.00 0.00 175.26 175.40 3hsk s PHE 233 N -3.91 3.62 -0.58 1.61 0.08 0.78 -1.29 117.98 118.29 3hsk s PHE 233 Ca 0.08 0.75 0.01 0.00 0.12 0.00 0.00 56.93 57.90 3hsk s PHE 233 Cb 0.07 -2.19 0.15 0.00 -0.57 0.00 0.00 43.02 40.47 3hsk s PHE 233 CO -0.09 0.58 0.35 0.08 -0.10 0.00 0.00 175.22 176.04 3hsk s VAL 234 N -0.69 3.06 0.60 -0.44 1.01 0.39 -4.86 120.40 119.47 3hsk s VAL 234 Ca 0.19 -3.26 -0.19 0.00 0.00 0.00 0.00 61.98 58.73 3hsk s VAL 234 Cb -0.14 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 3hsk s VAL 234 CO 0.08 -0.85 1.24 -2.16 0.00 0.00 0.00 175.10 173.41 3hsk s PRO 235 N -0.30 2.88 0.14 2.72 0.04 -1.26 -1.60 135.00 137.62 3hsk s PRO 235 Ca 0.18 1.91 -0.32 0.00 0.04 0.00 0.00 61.00 62.80 3hsk s PRO 235 Cb -0.23 -1.93 -0.12 0.00 0.04 0.00 0.00 34.50 32.27 3hsk s PRO 235 CO -0.02 -1.30 1.77 -0.89 0.04 0.00 0.00 177.00 176.60 3hsk n ILE 236 N -1.63 0.21 -1.61 0.56 5.41 -0.53 -4.89 119.36 116.89 3hsk n ILE 236 Ca 0.14 -0.04 -0.45 0.00 1.00 0.00 0.00 62.75 63.40 3hsk n ILE 236 Cb 0.49 -1.97 -0.02 0.00 -0.71 0.00 0.00 39.64 37.42 3hsk n ILE 236 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3hsk n PRO 237 N 4.85 1.49 -0.33 0.38 -0.04 -1.26 -4.83 135.00 135.25 3hsk n PRO 237 Ca 0.18 0.53 0.23 0.00 -0.04 0.00 0.00 63.50 64.39 3hsk n PRO 237 Cb 0.35 -1.99 0.44 0.00 -0.04 0.00 0.00 33.50 32.26 3hsk n PRO 237 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3hsk h GLU 238 N 2.69 0.02 0.00 0.54 4.22 -1.91 -0.90 114.58 119.25 3hsk h GLU 238 Ca -0.42 -0.00 -0.07 0.00 0.08 0.00 0.00 59.36 58.95 3hsk h GLU 238 Cb 1.33 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 3hsk h GLU 238 CO 0.65 0.02 -0.32 0.66 -2.18 0.00 0.00 179.01 177.84 3hsk h SER 239 N 0.03 0.00 0.34 1.04 4.64 -1.98 -3.10 113.55 114.52 3hsk h SER 239 Ca 0.73 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.05 3hsk h SER 239 Cb 1.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 3hsk h SER 239 CO -0.83 0.32 -0.93 -0.62 -0.87 0.00 0.00 176.83 173.90 3hsk n GLU 240 N -3.66 0.17 -3.41 4.77 -0.58 -0.37 -4.73 120.64 112.84 3hsk n GLU 240 Ca -0.01 -0.01 -0.18 0.00 -0.42 0.00 0.00 57.16 56.54 3hsk n GLU 240 Cb 0.43 -1.55 -0.10 0.00 -0.57 0.00 0.00 31.44 29.65 3hsk n GLU 240 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 3hsk s MET 241 N -3.12 0.31 -0.29 3.49 1.75 -1.06 -4.13 119.30 116.25 3hsk s MET 241 Ca 0.06 -0.16 -0.22 0.00 -1.25 0.00 0.00 55.69 54.12 3hsk s MET 241 Cb 0.15 -0.71 -0.01 0.00 2.84 0.00 0.00 34.83 37.11 3hsk s MET 241 CO 0.80 -1.02 0.70 0.15 -0.65 0.00 0.00 175.02 175.00 3hsk s LYS 242 N 2.34 3.99 -0.17 4.11 1.02 0.03 -4.71 119.74 126.35 3hsk s LYS 242 Ca 0.09 0.50 0.01 0.00 0.02 0.00 0.00 55.97 56.60 3hsk s LYS 242 Cb -0.14 -3.71 0.02 0.00 -0.52 0.00 0.00 37.83 33.48 3hsk s LYS 242 CO -0.33 -0.57 -0.19 0.14 -0.92 0.00 0.00 175.35 173.48 3hsk s VAL 243 N 2.73 1.95 -0.24 3.17 -7.23 -1.26 -0.76 120.40 118.76 3hsk s VAL 243 Ca 0.29 -0.88 0.02 0.00 -1.81 0.00 0.00 61.98 59.60 3hsk s VAL 243 Cb -0.15 -1.77 0.05 0.00 0.56 0.00 0.00 36.38 35.07 3hsk s VAL 243 CO 0.11 0.52 -0.13 -0.55 -0.31 0.00 0.00 175.10 174.74 3hsk s SER 244 N 1.27 4.06 -0.05 4.85 0.15 -0.08 -4.83 113.70 119.07 3hsk s SER 244 Ca 0.04 -1.13 -0.01 0.00 0.70 0.00 0.00 55.95 55.54 3hsk s SER 244 Cb -0.13 -1.54 -0.03 0.00 -1.71 0.00 0.00 66.02 62.60 3hsk s SER 244 CO -0.11 -0.13 0.02 0.00 1.20 0.00 0.00 173.24 174.21 3hsk s ALA 245 N 1.18 3.34 -0.24 5.45 0.00 -1.26 -0.97 121.76 129.25 3hsk s ALA 245 Ca -0.04 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 3hsk s ALA 245 Cb -0.18 -1.46 0.08 0.00 0.00 0.00 0.00 23.12 21.56 3hsk s ALA 245 CO -0.07 0.62 0.06 -0.65 0.00 0.00 0.00 175.76 175.72 3hsk s GLN 246 N -1.21 0.67 -0.18 0.00 -0.21 0.13 -4.89 119.66 113.97 3hsk s GLN 246 Ca 0.16 -0.68 -0.09 0.00 0.02 0.00 0.00 55.36 54.78 3hsk s GLN 246 Cb -0.11 -2.00 -0.05 0.00 1.00 0.00 0.00 33.01 31.85 3hsk s GLN 246 CO 0.06 -0.79 0.12 0.00 -2.12 0.00 0.00 175.29 172.56 3hsk s ASN 248 N 0.02 1.60 -0.12 0.00 0.01 -0.86 -3.22 114.94 112.36 3hsk s ASN 248 Ca 0.09 -0.52 -0.09 0.00 -0.71 0.00 0.00 52.86 51.63 3hsk s ASN 248 Cb -0.11 -0.07 -0.04 0.00 0.41 0.00 0.00 41.25 41.43 3hsk s ASN 248 CO -0.00 -0.02 0.19 -0.60 -1.51 0.00 0.00 177.10 175.15 3hsk s ARG 249 N -1.38 3.74 0.19 -0.60 6.06 0.02 -0.14 118.95 126.84 3hsk s ARG 249 Ca -0.01 -0.05 0.07 0.00 -2.50 0.00 0.00 55.73 53.25 3hsk s ARG 249 Cb -0.09 -3.27 -0.05 0.00 0.06 0.00 0.00 34.95 31.61 3hsk s ARG 249 CO 0.02 0.61 -0.14 0.14 -2.50 0.00 0.00 175.30 173.43 3hsk s VAL 250 N -0.60 1.60 -1.34 7.11 -7.23 -0.33 -1.95 120.40 117.67 3hsk s VAL 250 Ca 0.15 -2.15 -0.17 0.00 -1.81 0.00 0.00 61.98 58.00 3hsk s VAL 250 Cb -0.13 -1.97 0.04 0.00 0.56 0.00 0.00 36.38 34.88 3hsk s VAL 250 CO 0.04 -0.61 1.94 -2.65 -0.31 0.00 0.00 175.10 173.50 3hsk n PRO 251 N -0.28 2.93 -3.96 4.82 -0.02 -1.26 -4.36 135.00 132.87 3hsk n PRO 251 Ca -0.09 -2.94 -0.15 0.00 -2.02 0.00 0.00 63.50 58.30 3hsk n PRO 251 Cb 0.60 -3.41 -0.15 0.00 -0.02 0.00 0.00 33.50 30.52 3hsk n PRO 251 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hsk s VAL 252 N 4.20 0.18 -0.03 -1.45 1.01 -1.26 -5.04 120.40 118.02 3hsk s VAL 252 Ca 0.52 -0.01 -0.24 0.00 0.00 0.00 0.00 61.98 62.25 3hsk s VAL 252 Cb 0.08 -0.22 -0.18 0.00 0.00 0.00 0.00 36.38 36.06 3hsk s VAL 252 CO 0.02 0.10 1.13 0.40 0.00 0.00 0.00 175.10 176.75 3hsk h ILE 253 N 5.67 1.08 -3.63 2.22 2.04 -1.95 0.13 117.51 123.08 3hsk h ILE 253 Ca -0.35 -1.04 -0.19 0.00 1.00 0.00 0.00 64.86 64.28 3hsk h ILE 253 Cb 1.17 1.71 -0.25 0.00 -0.74 0.00 0.00 36.82 38.71 3hsk h ILE 253 CO 0.49 0.24 -0.62 -0.62 0.00 0.00 0.00 178.15 177.64 3hsk s ASP 254 N -5.50 0.00 0.00 1.72 2.15 -1.26 -0.33 116.67 113.45 3hsk s ASP 254 Ca -0.15 -0.04 0.00 0.00 0.43 0.00 0.00 52.55 52.79 3hsk s ASP 254 Cb 0.01 0.15 0.00 0.00 -0.30 0.00 0.00 42.92 42.79 3hsk s ASP 254 CO 0.59 -0.14 0.00 0.61 -0.17 0.00 0.00 175.17 176.06 3hsk n GLY 255 N 2.48 0.09 3.73 2.66 0.00 -1.26 -4.73 105.19 108.16 3hsk n GLY 255 Ca -0.16 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 3hsk n GLY 255 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hsk s HIS 256 N 0.00 3.71 -0.12 1.61 3.76 -1.26 -4.35 115.29 118.65 3hsk s HIS 256 Ca 0.00 1.70 -0.04 0.00 -0.15 0.00 0.00 55.06 56.57 3hsk s HIS 256 Cb 0.00 -3.16 -0.04 0.00 1.11 0.00 0.00 32.58 30.49 3hsk s HIS 256 CO 0.00 -0.20 0.03 0.99 -0.85 0.00 0.00 174.74 174.72 3hsk s THR 257 N -0.20 4.58 -0.12 1.30 2.01 -0.64 -1.46 115.64 121.11 3hsk s THR 257 Ca 0.48 -0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.35 3hsk s THR 257 Cb -0.27 -2.97 0.02 0.00 0.01 0.00 0.00 72.50 69.29 3hsk s THR 257 CO 0.33 0.57 -0.12 -1.61 -0.69 0.00 0.00 174.62 173.10 3hsk s GLU 258 N -0.56 1.96 -0.36 4.92 2.02 0.64 0.23 118.70 127.54 3hsk s GLU 258 Ca 0.10 -0.44 -0.18 0.00 0.02 0.00 0.00 54.97 54.47 3hsk s GLU 258 Cb -0.12 -1.81 -0.00 0.00 0.10 0.00 0.00 34.13 32.30 3hsk s GLU 258 CO 0.02 -0.18 0.50 0.00 0.02 0.00 0.00 175.26 175.62 3hsk s ILE 260 N 2.36 1.59 0.05 0.00 1.01 -0.46 -1.46 121.20 124.28 3hsk s ILE 260 Ca 0.18 -1.20 0.04 0.00 0.00 0.00 0.00 60.65 59.66 3hsk s ILE 260 Cb -0.16 -1.40 -0.02 0.00 0.01 0.00 0.00 42.46 40.89 3hsk s ILE 260 CO 0.14 0.15 -0.12 -0.44 0.00 0.00 0.00 174.94 174.67 3hsk s SER 261 N -1.24 1.38 -0.02 3.58 0.01 -0.92 -1.57 113.70 114.92 3hsk s SER 261 Ca 0.06 -0.51 -0.18 0.00 1.31 0.00 0.00 55.95 56.63 3hsk s SER 261 Cb -0.09 -0.04 0.03 0.00 0.21 0.00 0.00 66.02 66.13 3hsk s SER 261 CO 0.02 -0.07 0.38 -1.48 0.41 0.00 0.00 173.24 172.50 3hsk s LEU 262 N -1.40 0.58 -0.01 2.44 0.05 -0.48 -0.73 118.68 119.13 3hsk s LEU 262 Ca -0.03 0.21 0.03 0.00 0.05 0.00 0.00 54.13 54.39 3hsk s LEU 262 Cb -0.09 1.49 -0.01 0.00 -2.05 0.00 0.00 46.19 45.54 3hsk s LEU 262 CO 0.01 -0.47 -0.10 -0.60 -0.55 0.00 0.00 176.35 174.65 3hsk s ARG 263 N -1.28 0.77 0.15 1.48 3.52 -0.37 -0.74 118.95 122.48 3hsk s ARG 263 Ca -0.13 -0.36 -0.21 0.00 -0.13 0.00 0.00 55.73 54.90 3hsk s ARG 263 Cb -0.04 -0.75 -0.08 0.00 -1.56 0.00 0.00 34.95 32.53 3hsk s ARG 263 CO 0.05 0.20 0.67 -0.06 -0.81 0.00 0.00 175.30 175.36 3hsk s PHE 264 N -0.26 3.78 0.12 5.12 0.08 -1.26 -1.42 117.98 124.15 3hsk s PHE 264 Ca 0.03 1.40 -0.14 0.00 0.12 0.00 0.00 56.93 58.35 3hsk s PHE 264 Cb -0.04 -2.60 -0.04 0.00 -0.57 0.00 0.00 43.02 39.76 3hsk s PHE 264 CO -0.00 0.49 1.49 0.00 -0.10 0.00 0.00 175.22 177.10 3hsk h ALA 265 N 4.10 0.52 -1.85 5.36 0.00 -1.36 -3.42 119.26 122.62 3hsk h ALA 265 Ca -0.48 -0.36 -0.57 0.00 0.00 0.00 0.00 54.91 53.50 3hsk h ALA 265 Cb 1.20 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 3hsk h ALA 265 CO 0.65 0.47 1.02 -0.80 0.00 0.00 0.00 179.25 180.58 3hsk s ASN 266 N -6.50 6.49 0.02 0.00 0.01 -1.26 -5.02 114.94 108.68 3hsk s ASN 266 Ca -0.12 0.93 -0.07 0.00 -0.71 0.00 0.00 52.86 52.89 3hsk s ASN 266 Cb 0.10 -2.54 -0.05 0.00 0.41 0.00 0.00 41.25 39.17 3hsk s ASN 266 CO 0.83 -1.28 0.29 -0.13 -1.51 0.00 0.00 177.10 175.30 3hsk s ARG 267 N 4.59 3.61 0.61 -0.60 1.81 -1.26 -4.31 118.95 123.40 3hsk s ARG 267 Ca 0.58 -0.03 -0.08 0.00 -1.72 0.00 0.00 55.73 54.48 3hsk s ARG 267 Cb -0.14 -3.07 0.00 0.00 -0.45 0.00 0.00 34.95 31.29 3hsk s ARG 267 CO 0.29 0.64 0.95 -1.25 -0.68 0.00 0.00 175.30 175.24 3hsk s PRO 268 N -1.77 3.04 0.55 3.54 0.04 -1.26 -5.15 135.00 133.98 3hsk s PRO 268 Ca 0.28 0.21 -0.20 0.00 0.04 0.00 0.00 61.00 61.33 3hsk s PRO 268 Cb -0.13 -2.20 -0.05 0.00 0.04 0.00 0.00 34.50 32.16 3hsk s PRO 268 CO 0.16 -0.72 1.22 0.00 0.04 0.00 0.00 177.00 177.71 3hsk s ALA 269 N -3.07 2.71 1.11 8.56 0.00 -1.26 -5.04 121.76 124.76 3hsk s ALA 269 Ca 0.54 1.05 -0.15 0.00 0.00 0.00 0.00 51.96 53.40 3hsk s ALA 269 Cb -0.11 -3.45 0.24 0.00 0.00 0.00 0.00 23.12 19.80 3hsk s ALA 269 CO 0.48 -1.06 1.09 -1.25 0.00 0.00 0.00 175.76 175.01 3hsk s PRO 270 N -3.09 -0.44 0.61 0.00 0.04 -1.26 -5.06 135.00 125.81 3hsk s PRO 270 Ca 0.73 0.31 -0.08 0.00 0.04 0.00 0.00 61.00 62.00 3hsk s PRO 270 Cb -0.32 -1.65 -0.00 0.00 0.04 0.00 0.00 34.50 32.57 3hsk s PRO 270 CO 0.36 -3.27 0.95 -1.54 0.04 0.00 0.00 177.00 173.54 3hsk s SER 271 N -3.51 5.73 0.47 6.66 1.04 -1.26 -4.97 113.70 117.86 3hsk s SER 271 Ca 0.68 0.95 0.13 0.00 0.48 0.00 0.00 55.95 58.18 3hsk s SER 271 Cb -0.16 -1.94 1.07 0.00 0.10 0.00 0.00 66.02 65.09 3hsk s SER 271 CO 0.58 -1.05 2.08 1.62 0.98 0.00 0.00 173.24 177.45 3hsk h VAL 272 N -0.27 1.06 -0.28 5.02 3.04 -1.98 -2.54 116.25 120.31 3hsk h VAL 272 Ca -0.45 -0.22 -0.17 0.00 -1.01 0.00 0.00 66.70 64.85 3hsk h VAL 272 Cb 1.24 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 31.45 3hsk h VAL 272 CO 0.62 0.08 -0.49 -0.33 -1.01 0.00 0.00 177.57 176.44 3hsk h GLU 273 N 0.18 0.82 -0.82 4.17 3.07 -1.97 -2.44 114.58 117.58 3hsk h GLU 273 Ca 0.05 -0.51 0.03 0.00 -0.50 0.00 0.00 59.36 58.42 3hsk h GLU 273 Cb 0.06 0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 27.98 3hsk h GLU 273 CO -0.00 1.14 0.53 -0.44 -1.40 0.00 0.00 179.01 178.84 3hsk h ASP 274 N 0.59 0.88 -0.17 1.42 3.32 -1.85 -2.78 116.42 117.83 3hsk h ASP 274 Ca 0.02 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 3hsk h ASP 274 Cb 1.09 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 3hsk h ASP 274 CO 0.11 0.61 -0.01 0.58 -1.72 0.00 0.00 179.24 178.81 3hsk h VAL 275 N 1.03 1.26 -0.13 -1.35 2.07 -1.38 -2.03 116.25 115.72 3hsk h VAL 275 Ca 0.33 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 66.98 3hsk h VAL 275 Cb 0.00 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3hsk h VAL 275 CO -0.11 0.27 -0.03 0.11 0.02 0.00 0.00 177.57 177.83 3hsk h LYS 276 N 0.04 0.01 -0.02 1.57 1.57 -1.39 -2.46 116.57 115.88 3hsk h LYS 276 Ca 0.05 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.73 3hsk h LYS 276 Cb 0.41 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3hsk h LYS 276 CO 0.01 0.00 -0.44 0.37 -0.57 0.00 0.00 179.45 178.83 3hsk h GLN 277 N 0.01 0.05 -0.65 3.15 5.75 -1.53 -1.24 115.11 120.66 3hsk h GLN 277 Ca 0.06 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.53 3hsk h GLN 277 Cb 0.09 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 3hsk h GLN 277 CO -0.13 0.48 0.36 0.00 -2.65 0.00 0.00 178.83 176.90 3hsk h LEU 279 N 0.88 0.76 -1.23 0.00 3.38 -1.04 -2.92 115.31 115.14 3hsk h LEU 279 Ca 0.23 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 3hsk h LEU 279 Cb 0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3hsk h LEU 279 CO -0.04 1.16 0.12 0.03 0.09 0.00 0.00 178.44 179.80 3hsk h ARG 280 N 0.52 0.65 -0.00 1.13 3.08 -1.02 -3.16 114.38 115.57 3hsk h ARG 280 Ca 0.01 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3hsk h ARG 280 Cb 1.14 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.08 3hsk h ARG 280 CO 0.11 0.59 -0.48 0.39 -1.07 0.00 0.00 179.97 179.51 3hsk n GLU 281 N -4.32 0.28 -2.07 0.04 1.02 -0.57 -4.93 120.64 110.08 3hsk n GLU 281 Ca 0.03 -0.17 -0.42 0.00 -0.02 0.00 0.00 57.16 56.58 3hsk n GLU 281 Cb 0.19 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.09 3hsk n GLU 281 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3hsk s TYR 282 N -2.84 2.76 -0.18 -0.32 5.04 -1.11 -5.01 117.35 115.70 3hsk s TYR 282 Ca 0.15 0.62 0.01 0.00 -2.44 0.00 0.00 57.07 55.41 3hsk s TYR 282 Cb 0.18 -3.81 0.03 0.00 0.35 0.00 0.00 41.96 38.70 3hsk s TYR 282 CO 0.66 -3.09 -0.16 -2.00 -1.34 0.00 0.00 175.55 169.61 3hsk s GLU 283 N 2.19 2.61 0.63 4.97 2.12 -1.26 -3.68 118.70 126.27 3hsk s GLU 283 Ca 0.69 -0.77 -0.18 0.00 0.36 0.00 0.00 54.97 55.06 3hsk s GLU 283 Cb -0.37 -2.42 -0.02 0.00 0.26 0.00 0.00 34.13 31.59 3hsk s GLU 283 CO 0.30 -0.27 1.28 0.00 -0.54 0.00 0.00 175.26 176.03 3hsk h ALA 285 N 0.67 1.42 -0.36 0.00 0.00 -1.88 -1.96 119.26 117.15 3hsk h ALA 285 Ca -0.51 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.18 3hsk h ALA 285 Cb 1.33 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 3hsk h ALA 285 CO 0.54 0.20 -0.06 0.00 0.00 0.00 0.00 179.25 179.93 3hsk h ALA 286 N 1.84 1.22 -0.26 0.00 0.00 -1.91 -0.45 119.26 119.71 3hsk h ALA 286 Ca -0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 3hsk h ALA 286 Cb 0.36 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3hsk h ALA 286 CO 0.02 0.51 -0.34 1.03 0.00 0.00 0.00 179.25 180.47 3hsk h SER 287 N 0.56 0.57 0.99 0.00 0.87 -1.65 -1.94 113.55 112.94 3hsk h SER 287 Ca 0.11 -0.23 -0.07 0.00 -1.23 0.00 0.00 61.79 60.37 3hsk h SER 287 Cb 0.45 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 3hsk h SER 287 CO 0.02 0.87 -0.35 0.11 -0.53 0.00 0.00 176.83 176.95 3hsk h LYS 288 N 0.47 0.00 0.00 2.24 1.57 -1.09 -2.53 116.57 117.23 3hsk h LYS 288 Ca 0.05 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 3hsk h LYS 288 Cb 0.81 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 3hsk h LYS 288 CO 0.07 0.35 -0.15 1.25 -0.57 0.00 0.00 179.45 180.40 3hsk h LEU 289 N 0.00 0.00 0.00 2.94 6.46 -1.02 -3.47 115.31 120.22 3hsk h LEU 289 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3hsk h LEU 289 Cb 0.94 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.87 3hsk h LEU 289 CO 0.05 0.15 0.00 0.61 -0.62 0.00 0.00 178.44 178.63 3hsk n GLY 290 N 0.56 1.06 3.77 3.75 0.00 -0.95 -5.08 105.19 108.30 3hsk n GLY 290 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3hsk n GLY 290 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hsk h HIS 292 N 3.31 0.97 0.00 0.00 2.76 -1.95 -3.20 115.15 117.04 3hsk h HIS 292 Ca -0.50 -0.30 0.00 0.00 -2.20 0.00 0.00 60.37 57.38 3hsk h HIS 292 Cb 1.24 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 30.00 3hsk h HIS 292 CO 0.54 1.08 -0.43 0.43 -1.30 0.00 0.00 177.93 178.25 3hsk n SER 293 N -4.04 0.44 -4.70 3.26 7.64 -1.26 -4.89 113.62 110.07 3hsk n SER 293 Ca -0.02 -0.09 -0.42 0.00 1.01 0.00 0.00 58.87 59.35 3hsk n SER 293 Cb 0.55 0.12 -0.03 0.00 -1.01 0.00 0.00 64.21 63.84 3hsk n SER 293 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hsk s ALA 294 N -3.02 3.40 -0.04 -0.43 0.00 -1.21 -5.00 121.76 115.45 3hsk s ALA 294 Ca 0.11 0.68 -0.30 0.00 0.00 0.00 0.00 51.96 52.45 3hsk s ALA 294 Cb 0.17 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 3hsk s ALA 294 CO 0.68 -0.55 1.26 -1.25 0.00 0.00 0.00 175.76 175.90 3hsk s PRO 295 N 1.59 4.33 0.15 0.00 0.04 -1.26 -4.75 135.00 135.10 3hsk s PRO 295 Ca 0.56 1.76 -0.06 0.00 0.04 0.00 0.00 61.00 63.30 3hsk s PRO 295 Cb -0.25 -3.57 -0.02 0.00 0.04 0.00 0.00 34.50 30.70 3hsk s PRO 295 CO 0.25 -0.49 1.39 0.87 0.04 0.00 0.00 177.00 179.06 3hsk h LYS 296 N 7.59 0.58 -4.46 4.56 1.79 -1.94 -3.24 116.57 121.44 3hsk h LYS 296 Ca -0.35 -0.46 -0.75 0.00 -2.18 0.00 0.00 60.65 56.91 3hsk h LYS 296 Cb 1.16 0.09 -0.20 0.00 -1.58 0.00 0.00 32.23 31.71 3hsk h LYS 296 CO 0.89 1.08 1.22 0.94 -1.08 0.00 0.00 179.45 182.50 3hsk n GLN 297 N -3.89 3.42 -0.22 3.15 -0.06 -1.26 -4.34 117.38 114.18 3hsk n GLN 297 Ca -0.05 -3.96 -0.03 0.00 -2.00 0.00 0.00 57.00 50.96 3hsk n GLN 297 Cb 0.71 -2.94 0.15 0.00 -4.06 0.00 0.00 30.24 24.10 3hsk n GLN 297 CO 0.00 0.00 0.00 1.15 -0.20 0.00 0.00 177.06 178.01 3hsk h THR 298 N 4.41 1.24 -3.93 1.69 2.02 -1.63 -3.42 112.91 113.28 3hsk h THR 298 Ca 0.30 -0.70 -0.66 0.00 0.77 0.00 0.00 66.41 66.12 3hsk h THR 298 Cb 0.86 0.36 -0.32 0.00 -1.74 0.00 0.00 68.15 67.31 3hsk h THR 298 CO 1.22 0.29 -0.87 -0.63 0.37 0.00 0.00 175.52 175.90 3hsk s ILE 299 N -5.53 1.90 -0.39 3.11 1.01 -1.26 -1.22 121.20 118.82 3hsk s ILE 299 Ca -0.11 -0.97 -0.09 0.00 0.00 0.00 0.00 60.65 59.48 3hsk s ILE 299 Cb 0.16 -1.61 0.06 0.00 0.01 0.00 0.00 42.46 41.08 3hsk s ILE 299 CO 0.81 0.53 0.20 -2.28 0.00 0.00 0.00 174.94 174.20 3hsk s HIS 300 N -0.07 3.30 -0.05 3.97 2.46 -0.54 -4.76 115.29 119.60 3hsk s HIS 300 Ca -0.05 -1.40 -0.22 0.00 0.47 0.00 0.00 55.06 53.86 3hsk s HIS 300 Cb -0.14 -2.65 -0.04 0.00 -0.13 0.00 0.00 32.58 29.62 3hsk s HIS 300 CO 0.04 -0.77 0.65 0.14 -2.47 0.00 0.00 174.74 172.32 3hsk s VAL 301 N 1.44 5.01 -0.08 0.89 -7.23 -1.26 -0.63 120.40 118.54 3hsk s VAL 301 Ca 0.02 1.34 -0.01 0.00 -1.81 0.00 0.00 61.98 61.52 3hsk s VAL 301 Cb -0.21 -3.99 -0.03 0.00 0.56 0.00 0.00 36.38 32.71 3hsk s VAL 301 CO 0.03 0.31 -0.02 -0.76 -0.31 0.00 0.00 175.10 174.35 3hsk s LEU 302 N 0.50 3.47 -0.00 1.32 1.43 -0.36 -4.94 118.68 120.09 3hsk s LEU 302 Ca 0.35 0.10 0.22 0.00 -1.03 0.00 0.00 54.13 53.76 3hsk s LEU 302 Cb -0.18 -1.78 -0.21 0.00 0.03 0.00 0.00 46.19 44.05 3hsk s LEU 302 CO 0.17 0.37 0.78 0.47 0.23 0.00 0.00 176.35 178.37 3hsk n ASP 303 N 2.17 0.57 -4.76 2.29 8.00 -1.26 -4.24 116.55 119.31 3hsk n ASP 303 Ca -0.18 -0.49 -0.40 0.00 0.71 0.00 0.00 54.79 54.43 3hsk n ASP 303 Cb 0.53 1.32 -0.03 0.00 -0.02 0.00 0.00 41.12 42.92 3hsk n ASP 303 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3hsk s GLN 304 N -3.22 4.42 0.29 -1.24 1.11 -1.26 -4.93 119.66 114.83 3hsk s GLN 304 Ca 0.01 1.92 0.23 0.00 0.01 0.00 0.00 55.36 57.54 3hsk s GLN 304 Cb 0.15 -3.02 1.07 0.00 -1.01 0.00 0.00 33.01 30.20 3hsk s GLN 304 CO 0.87 -0.03 1.71 -0.35 0.01 0.00 0.00 175.29 177.50 3hsk n PRO 305 N 0.79 0.18 -0.38 2.91 -0.04 -1.26 -2.83 135.00 134.38 3hsk n PRO 305 Ca 0.01 0.51 0.07 0.00 -0.04 0.00 0.00 63.50 64.04 3hsk n PRO 305 Cb 0.44 -1.92 0.20 0.00 -0.04 0.00 0.00 33.50 32.19 3hsk n PRO 305 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3hsk n ASP 306 N -2.28 2.90 -4.25 3.54 5.75 -1.26 -4.84 116.55 116.11 3hsk n ASP 306 Ca 0.01 -3.25 -0.19 0.00 -0.01 0.00 0.00 54.79 51.35 3hsk n ASP 306 Cb 0.16 -0.52 -0.11 0.00 -1.03 0.00 0.00 41.12 39.62 3hsk n ASP 306 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3hsk s ARG 307 N -2.95 1.03 0.50 0.11 1.81 -1.13 -4.45 118.95 113.87 3hsk s ARG 307 Ca 0.38 -1.19 -0.19 0.00 -1.72 0.00 0.00 55.73 53.01 3hsk s ARG 307 Cb 0.33 -1.01 -0.08 0.00 -0.45 0.00 0.00 34.95 33.74 3hsk s ARG 307 CO 0.04 0.21 1.01 -1.25 -0.68 0.00 0.00 175.30 174.63 3hsk s PRO 308 N -2.40 3.84 -0.05 3.54 0.04 -1.26 -3.69 135.00 135.03 3hsk s PRO 308 Ca 0.07 1.19 0.06 0.00 0.04 0.00 0.00 61.00 62.37 3hsk s PRO 308 Cb -0.07 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.35 3hsk s PRO 308 CO 0.03 -0.38 -0.24 -0.65 0.04 0.00 0.00 177.00 175.81 3hsk s GLN 309 N -3.54 2.42 0.18 4.56 -0.21 -1.26 -4.97 119.66 116.83 3hsk s GLN 309 Ca 0.64 -0.88 -0.14 0.00 0.02 0.00 0.00 55.36 55.00 3hsk s GLN 309 Cb -0.13 -2.16 0.14 0.00 1.00 0.00 0.00 33.01 31.86 3hsk s GLN 309 CO 0.24 0.47 1.74 -1.35 -2.12 0.00 0.00 175.29 174.26 3hsk h PRO 310 N 5.80 0.29 0.00 2.91 0.11 -1.90 -0.56 132.00 138.65 3hsk h PRO 310 Ca -0.37 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.54 3hsk h PRO 310 Cb 1.15 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3hsk h PRO 310 CO 0.48 0.19 -0.86 -0.09 -0.21 0.00 0.00 178.00 177.51 3hsk h ARG 311 N 0.29 0.05 0.00 1.05 2.43 -1.95 -1.69 114.38 114.57 3hsk h ARG 311 Ca 0.22 -0.06 -0.15 0.00 -0.81 0.00 0.00 59.98 59.18 3hsk h ARG 311 Cb 0.24 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 3hsk h ARG 311 CO -0.24 0.88 -0.70 -0.07 -1.51 0.00 0.00 179.97 178.32 3hsk h LEU 312 N 0.03 0.00 -0.73 3.80 3.38 -1.92 -3.38 115.31 116.48 3hsk h LEU 312 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hsk h LEU 312 Cb 1.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.25 3hsk h LEU 312 CO 0.12 0.70 -0.07 0.47 0.09 0.00 0.00 178.44 179.75 3hsk n ASP 313 N -3.33 0.94 0.07 -0.43 8.00 -0.24 -4.62 116.55 116.93 3hsk n ASP 313 Ca 0.01 -0.97 -0.08 0.00 0.71 0.00 0.00 54.79 54.46 3hsk n ASP 313 Cb 0.79 0.38 0.04 0.00 -0.02 0.00 0.00 41.12 42.31 3hsk n ASP 313 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 3hsk h ARG 314 N 0.57 0.32 0.00 -1.24 0.11 -1.49 -0.21 114.38 112.44 3hsk h ARG 314 Ca 0.00 -0.26 -0.05 0.00 0.10 0.00 0.00 59.98 59.76 3hsk h ARG 314 Cb 0.16 0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.29 3hsk h ARG 314 CO 0.00 0.91 -0.32 -0.44 0.10 0.00 0.00 179.97 180.23 3hsk h ASP 315 N 0.21 0.00 -0.56 0.08 3.32 -1.84 -3.05 116.42 114.58 3hsk h ASP 315 Ca -0.03 -0.73 0.01 0.00 0.02 0.00 0.00 57.03 56.30 3hsk h ASP 315 Cb 1.30 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.82 3hsk h ASP 315 CO 0.12 1.05 0.37 -0.09 -1.72 0.00 0.00 179.24 178.97 3hsk h ARG 316 N -1.00 0.73 -0.34 3.56 2.43 -1.82 -2.60 114.38 115.34 3hsk h ARG 316 Ca -0.08 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 3hsk h ARG 316 Cb 0.94 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.32 3hsk h ARG 316 CO -0.05 0.48 0.00 -0.25 -1.51 0.00 0.00 179.97 178.65 3hsk n ASP 317 N -4.45 4.32 0.09 -3.80 9.92 -0.09 -4.69 116.55 117.84 3hsk n ASP 317 Ca 0.05 -3.02 0.08 0.00 -0.53 0.00 0.00 54.79 51.38 3hsk n ASP 317 Cb 0.05 -0.58 0.38 0.00 -0.64 0.00 0.00 41.12 40.33 3hsk n ASP 317 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3hsk n SER 318 N -0.26 0.36 -0.97 -2.24 3.41 -0.98 -1.87 113.62 111.08 3hsk n SER 318 Ca 0.23 0.63 0.11 0.00 -0.26 0.00 0.00 58.87 59.58 3hsk n SER 318 Cb 0.98 -0.69 0.15 0.00 -0.26 0.00 0.00 64.21 64.38 3hsk n SER 318 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hsk n GLY 319 N -0.79 1.24 3.95 5.00 0.00 -1.26 -4.53 105.19 108.80 3hsk n GLY 319 Ca 0.01 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 3hsk n GLY 319 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hsk s TYR 320 N -1.58 3.48 0.04 1.61 2.02 -0.78 -4.63 117.35 117.51 3hsk s TYR 320 Ca 0.31 0.24 -0.25 0.00 -0.37 0.00 0.00 57.07 56.99 3hsk s TYR 320 Cb 0.19 -1.79 -0.17 0.00 -0.40 0.00 0.00 41.96 39.79 3hsk s TYR 320 CO 0.28 0.28 1.49 0.78 -1.57 0.00 0.00 175.55 176.81 3hsk h GLY 321 N 1.20 -0.17 -4.30 0.71 0.00 -1.42 -3.41 103.07 95.69 3hsk h GLY 321 Ca -0.50 0.06 -0.13 0.00 0.00 0.00 0.00 47.33 46.76 3hsk h GLY 321 CO 0.63 -0.06 -0.51 -1.34 0.00 0.00 0.00 176.54 175.26 3hsk s VAL 322 N -5.29 0.11 -0.12 4.60 -7.23 -1.18 -2.32 120.40 108.97 3hsk s VAL 322 Ca -0.15 -0.94 -0.05 0.00 -1.81 0.00 0.00 61.98 59.03 3hsk s VAL 322 Cb 0.04 -0.72 -0.04 0.00 0.56 0.00 0.00 36.38 36.22 3hsk s VAL 322 CO 0.64 -0.52 0.05 -0.44 -0.31 0.00 0.00 175.10 174.52 3hsk s SER 323 N -1.86 5.64 -0.09 4.85 0.01 -0.50 -1.47 113.70 120.28 3hsk s SER 323 Ca -0.09 0.21 0.02 0.00 1.31 0.00 0.00 55.95 57.40 3hsk s SER 323 Cb -0.04 -1.77 0.02 0.00 0.21 0.00 0.00 66.02 64.44 3hsk s SER 323 CO -0.02 0.33 -0.13 -0.69 0.41 0.00 0.00 173.24 173.14 3hsk s VAL 324 N -0.59 1.32 0.35 3.43 1.01 0.20 -0.18 120.40 125.93 3hsk s VAL 324 Ca 0.11 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.58 3hsk s VAL 324 Cb -0.12 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 3hsk s VAL 324 CO 0.02 0.40 0.11 -0.83 0.00 0.00 0.00 175.10 174.81 3hsk s GLY 325 N 0.96 2.24 -1.45 4.51 0.00 0.99 -1.22 107.32 113.35 3hsk s GLY 325 Ca -0.08 -1.65 -0.07 0.00 0.00 0.00 0.00 44.72 42.91 3hsk s GLY 325 CO -0.00 -1.75 0.63 0.54 0.00 0.00 0.00 173.10 172.51 3hsk n ARG 326 N -0.73 -4.60 -2.14 2.90 1.74 -1.24 -0.43 116.66 112.15 3hsk n ARG 326 Ca -0.03 0.73 -0.43 0.00 -0.77 0.00 0.00 57.85 57.35 3hsk n ARG 326 Cb 0.66 -5.55 -0.02 0.00 -1.02 0.00 0.00 32.46 26.52 3hsk n ARG 326 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3hsk s ILE 327 N -3.11 3.69 0.10 0.55 1.01 -1.26 -4.19 121.20 117.99 3hsk s ILE 327 Ca 0.38 0.73 -0.12 0.00 0.00 0.00 0.00 60.65 61.65 3hsk s ILE 327 Cb -0.18 -3.82 0.01 0.00 0.01 0.00 0.00 42.46 38.48 3hsk s ILE 327 CO 0.47 -0.45 0.28 0.00 0.00 0.00 0.00 174.94 175.24 3hsk s ARG 328 N 5.05 0.94 0.44 2.79 1.70 -0.73 -5.03 118.95 124.11 3hsk s ARG 328 Ca 0.71 -0.85 -0.25 0.00 -0.47 0.00 0.00 55.73 54.88 3hsk s ARG 328 Cb -0.21 0.40 -0.09 0.00 -0.57 0.00 0.00 34.95 34.47 3hsk s ARG 328 CO 0.31 -0.33 1.18 0.39 -1.08 0.00 0.00 175.30 175.77 3hsk n GLU 329 N -0.13 1.69 -3.77 3.89 1.02 -1.26 -1.14 120.64 120.94 3hsk n GLU 329 Ca -0.15 0.61 -0.20 0.00 -0.02 0.00 0.00 57.16 57.39 3hsk n GLU 329 Cb 0.63 -2.28 -0.02 0.00 -0.02 0.00 0.00 31.44 29.75 3hsk n GLU 329 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3hsk s ASP 330 N -0.65 5.80 -0.05 1.62 2.15 0.45 -4.54 116.67 121.46 3hsk s ASP 330 Ca 0.63 -0.22 0.21 0.00 0.43 0.00 0.00 52.55 53.60 3hsk s ASP 330 Cb -0.51 -1.33 -0.31 0.00 -0.30 0.00 0.00 42.92 40.46 3hsk s ASP 330 CO 0.57 -0.27 0.43 -1.54 -0.17 0.00 0.00 175.17 174.19 3hsk n SER 331 N -1.45 0.03 -0.10 -0.34 3.41 -1.26 -4.67 113.62 109.24 3hsk n SER 331 Ca -0.04 0.01 -0.14 0.00 -0.26 0.00 0.00 58.87 58.44 3hsk n SER 331 Cb 0.58 1.77 -0.05 0.00 -0.26 0.00 0.00 64.21 66.26 3hsk n SER 331 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3hsk n LEU 332 N -2.36 1.94 0.00 1.04 7.94 -1.26 -5.04 117.00 119.26 3hsk n LEU 332 Ca -0.09 0.33 0.00 0.00 -1.11 0.00 0.00 56.01 55.14 3hsk n LEU 332 Cb 0.67 -0.76 0.00 0.00 0.53 0.00 0.00 43.42 43.86 3hsk n LEU 332 CO 0.45 -0.05 0.00 0.18 -1.11 0.00 0.00 177.39 176.86 3hsk n LEU 333 N -4.40 0.00 -0.07 -1.96 4.77 -1.26 -5.07 117.00 109.01 3hsk n LEU 333 Ca -0.24 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.64 3hsk n LEU 333 Cb 0.61 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.62 3hsk n LEU 333 CO 0.16 0.00 0.15 0.44 -1.33 0.00 0.00 177.39 176.81 3hsk h ASP 334 N 0.00 0.00 -4.76 -1.43 3.32 -1.22 -3.37 116.42 108.95 3hsk h ASP 334 Ca 0.00 -0.60 -0.27 0.00 0.02 0.00 0.00 57.03 56.18 3hsk h ASP 334 Cb 0.00 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 39.34 3hsk h ASP 334 CO 0.00 0.88 -0.73 -0.36 -1.72 0.00 0.00 179.24 177.31 3hsk s PHE 335 N -2.03 0.68 0.18 4.55 0.08 -0.75 -0.41 117.98 120.29 3hsk s PHE 335 Ca -0.14 -0.52 0.08 0.00 0.12 0.00 0.00 56.93 56.47 3hsk s PHE 335 Cb -0.01 -0.41 -0.04 0.00 -0.57 0.00 0.00 43.02 41.99 3hsk s PHE 335 CO 0.44 -0.09 -0.15 -1.59 -0.10 0.00 0.00 175.22 173.74 3hsk s LYS 336 N -1.68 1.26 -0.04 0.44 -2.85 -0.29 -1.38 119.74 115.20 3hsk s LYS 336 Ca -0.09 -1.49 -0.29 0.00 -1.00 0.00 0.00 55.97 53.10 3hsk s LYS 336 Cb -0.09 -1.13 0.11 0.00 -2.06 0.00 0.00 37.83 34.66 3hsk s LYS 336 CO 0.00 0.20 0.92 0.00 0.10 0.00 0.00 175.35 176.57 3hsk s MET 337 N -3.30 0.76 -0.21 1.78 0.23 -0.61 -1.78 119.30 116.17 3hsk s MET 337 Ca 0.19 -0.21 -0.07 0.00 -1.03 0.00 0.00 55.69 54.56 3hsk s MET 337 Cb -0.02 0.35 -0.03 0.00 -1.53 0.00 0.00 34.83 33.59 3hsk s MET 337 CO 0.06 -0.32 0.06 0.08 -2.03 0.00 0.00 175.02 172.87 3hsk s VAL 338 N -2.75 4.52 -0.11 5.16 1.01 0.42 -1.36 120.40 127.29 3hsk s VAL 338 Ca 0.04 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.91 3hsk s VAL 338 Cb -0.01 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 3hsk s VAL 338 CO -0.07 0.40 -0.14 -0.69 0.00 0.00 0.00 175.10 174.60 3hsk s VAL 339 N 0.99 2.98 -0.18 2.92 1.01 0.18 -0.01 120.40 128.29 3hsk s VAL 339 Ca 0.04 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 3hsk s VAL 339 Cb -0.14 -2.22 -0.00 0.00 0.00 0.00 0.00 36.38 34.01 3hsk s VAL 339 CO 0.03 0.54 -0.12 -0.22 0.00 0.00 0.00 175.10 175.33 3hsk s LEU 340 N 0.10 2.61 0.40 3.92 2.96 0.75 -0.26 118.68 129.15 3hsk s LEU 340 Ca -0.06 -0.45 -0.17 0.00 -0.22 0.00 0.00 54.13 53.23 3hsk s LEU 340 Cb -0.15 -1.62 -0.09 0.00 0.50 0.00 0.00 46.19 44.83 3hsk s LEU 340 CO 0.05 0.05 0.85 -0.94 -1.32 0.00 0.00 176.35 175.03 3hsk s SER 341 N 1.05 6.78 -0.31 3.68 1.04 -0.54 -1.41 113.70 123.99 3hsk s SER 341 Ca -0.00 1.44 0.03 0.00 0.48 0.00 0.00 55.95 57.89 3hsk s SER 341 Cb -0.15 -2.44 0.08 0.00 0.10 0.00 0.00 66.02 63.61 3hsk s SER 341 CO -0.03 -0.34 -0.01 -1.00 0.98 0.00 0.00 173.24 172.85 3hsk s HIS 342 N -2.19 3.51 0.38 5.02 0.09 -0.98 -4.26 115.29 116.86 3hsk s HIS 342 Ca 0.57 -2.60 0.13 0.00 -0.00 0.00 0.00 55.06 53.16 3hsk s HIS 342 Cb -0.10 -2.47 0.94 0.00 -0.00 0.00 0.00 32.58 30.96 3hsk s HIS 342 CO 0.20 -0.91 1.86 -0.97 -0.00 0.00 0.00 174.74 174.92 3hsk h ASN 343 N 7.74 0.54 -0.80 1.40 -0.73 -1.91 -1.06 115.58 120.75 3hsk h ASN 343 Ca -0.12 0.04 0.09 0.00 1.87 0.00 0.00 56.30 58.18 3hsk h ASN 343 Cb 1.03 -0.06 -0.05 0.00 0.27 0.00 0.00 38.32 39.51 3hsk h ASN 343 CO 0.51 0.25 0.52 0.74 -0.37 0.00 0.00 177.43 179.07 3hsk h THR 344 N 0.55 0.96 0.00 -3.57 2.02 -1.93 -0.65 112.91 110.29 3hsk h THR 344 Ca 0.46 -0.26 -0.28 0.00 0.77 0.00 0.00 66.41 67.10 3hsk h THR 344 Cb 0.92 0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 3hsk h THR 344 CO -0.20 0.14 -1.63 -0.38 0.37 0.00 0.00 175.52 173.81 3hsk n ILE 345 N -4.50 1.52 0.76 3.11 2.08 -0.48 -3.97 119.36 117.87 3hsk n ILE 345 Ca 0.13 -0.12 0.08 0.00 0.56 0.00 0.00 62.75 63.40 3hsk n ILE 345 Cb 0.31 -2.04 -0.04 0.00 -0.75 0.00 0.00 39.64 37.12 3hsk n ILE 345 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 3hsk n ILE 346 N -4.39 0.00 -0.98 1.39 -5.35 -0.72 -2.70 119.36 106.61 3hsk n ILE 346 Ca -0.37 -0.24 -0.28 0.00 -0.27 0.00 0.00 62.75 61.59 3hsk n ILE 346 Cb 0.70 1.12 0.20 0.00 -1.74 0.00 0.00 39.64 39.92 3hsk n ILE 346 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3hsk s GLY 347 N -2.21 1.56 0.19 3.28 0.00 -0.25 -4.46 107.32 105.42 3hsk s GLY 347 Ca 0.11 -0.30 -0.12 0.00 0.00 0.00 0.00 44.72 44.40 3hsk s GLY 347 CO 0.53 0.35 1.74 0.00 0.00 0.00 0.00 173.10 175.72 3hsk h ALA 348 N -2.14 0.61 0.18 3.20 0.00 -1.85 0.12 119.26 119.39 3hsk h ALA 348 Ca -0.57 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3hsk h ALA 348 Cb 1.33 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3hsk h ALA 348 CO 0.55 -0.24 -0.09 0.00 0.00 0.00 0.00 179.25 179.47 3hsk h ALA 349 N 1.36 -0.25 -0.97 0.00 0.00 -1.88 -0.42 119.26 117.10 3hsk h ALA 349 Ca 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hsk h ALA 349 Cb 0.29 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3hsk h ALA 349 CO -0.27 -0.47 0.62 0.78 0.00 0.00 0.00 179.25 179.91 3hsk h GLY 350 N -0.59 1.38 0.94 0.00 0.00 -1.64 -1.15 103.07 102.01 3hsk h GLY 350 Ca -0.03 -0.54 -0.06 0.00 0.00 0.00 0.00 47.33 46.71 3hsk h GLY 350 CO 0.04 0.52 -0.00 0.00 0.00 0.00 0.00 176.54 177.10 3hsk h ALA 351 N 1.34 0.51 -0.62 3.60 0.00 -0.55 -2.59 119.26 120.96 3hsk h ALA 351 Ca 0.35 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hsk h ALA 351 Cb -0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3hsk h ALA 351 CO -0.07 0.29 0.37 0.78 0.00 0.00 0.00 179.25 180.62 3hsk h GLY 352 N 0.50 0.90 0.98 0.00 0.00 -0.68 -1.28 103.07 103.49 3hsk h GLY 352 Ca 0.11 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 3hsk h GLY 352 CO 0.02 0.37 0.25 -2.22 0.00 0.00 0.00 176.54 174.96 3hsk h ILE 353 N 0.84 1.20 -0.79 2.60 5.03 -1.22 -1.41 117.51 123.76 3hsk h ILE 353 Ca 0.22 -0.57 -0.03 0.00 -0.12 0.00 0.00 64.86 64.36 3hsk h ILE 353 Cb -0.01 0.61 -0.04 0.00 -3.03 0.00 0.00 36.82 34.35 3hsk h ILE 353 CO -0.04 0.23 0.36 0.25 -0.68 0.00 0.00 178.15 178.26 3hsk h LEU 354 N 0.70 1.04 -0.29 1.44 5.85 -1.20 0.11 115.31 122.97 3hsk h LEU 354 Ca 0.18 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 3hsk h LEU 354 Cb 0.13 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3hsk h LEU 354 CO -0.02 0.90 0.17 0.40 -0.34 0.00 0.00 178.44 179.54 3hsk h ILE 355 N 1.13 1.12 -0.61 4.05 2.04 -0.99 -0.72 117.51 123.52 3hsk h ILE 355 Ca 0.27 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.84 3hsk h ILE 355 Cb 0.14 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 3hsk h ILE 355 CO -0.03 0.12 0.39 0.00 0.00 0.00 0.00 178.15 178.63 3hsk h ALA 356 N 1.05 1.54 -0.63 1.87 0.00 -0.78 0.18 119.26 122.49 3hsk h ALA 356 Ca 0.10 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3hsk h ALA 356 Cb 0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3hsk h ALA 356 CO -0.02 0.41 0.21 0.93 0.00 0.00 0.00 179.25 180.78 3hsk h GLU 357 N 0.83 0.97 -0.14 0.00 5.08 -0.28 -0.57 114.58 120.46 3hsk h GLU 357 Ca 0.22 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3hsk h GLU 357 Cb -0.08 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.03 3hsk h GLU 357 CO -0.05 0.85 -0.02 0.82 -1.00 0.00 0.00 179.01 179.61 3hsk h ILE 358 N 0.90 1.28 -0.78 3.13 2.04 -0.41 -0.90 117.51 122.76 3hsk h ILE 358 Ca 0.20 -0.93 0.14 0.00 1.00 0.00 0.00 64.86 65.27 3hsk h ILE 358 Cb 0.28 1.61 -0.09 0.00 -0.74 0.00 0.00 36.82 37.87 3hsk h ILE 358 CO -0.01 0.27 0.36 -0.07 0.00 0.00 0.00 178.15 178.71 3hsk h LEU 359 N -0.02 0.40 -0.41 1.44 3.38 -0.59 -0.53 115.31 118.98 3hsk h LEU 359 Ca 0.04 0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.94 3hsk h LEU 359 Cb 0.43 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3hsk h LEU 359 CO 0.01 0.17 -0.48 0.11 0.09 0.00 0.00 178.44 178.35 3hsk h LYS 360 N 0.53 0.81 -0.27 1.13 1.57 -0.99 0.29 116.57 119.65 3hsk h LYS 360 Ca 0.42 -0.47 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 3hsk h LYS 360 Cb 0.60 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 3hsk h LYS 360 CO -0.37 1.11 -0.33 0.00 -0.57 0.00 0.00 179.45 179.29 3hsk h ALA 361 N 0.81 0.93 -0.26 3.86 0.00 -0.63 -2.93 119.26 121.05 3hsk h ALA 361 Ca 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3hsk h ALA 361 Cb 1.06 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3hsk h ALA 361 CO 0.11 0.62 0.00 0.36 0.00 0.00 0.00 179.25 180.33 3hsk n LYS 362 N -4.07 1.60 -1.77 0.00 -0.00 -0.26 -4.91 118.16 108.76 3hsk n LYS 362 Ca -0.01 -0.93 -0.20 0.00 -0.00 0.00 0.00 58.31 57.17 3hsk n LYS 362 Cb 0.47 -1.21 -0.07 0.00 -0.00 0.00 0.00 35.03 34.22 3hsk n LYS 362 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3hsk n ASN 363 N 0.25 -5.53 0.04 -5.58 4.13 -1.11 -4.85 115.26 102.62 3hsk n ASN 363 Ca 0.09 0.39 -0.03 0.00 1.68 0.00 0.00 54.58 56.71 3hsk n ASN 363 Cb 0.22 -4.76 -0.08 0.00 -1.54 0.00 0.00 39.78 33.62 3hsk n ASN 363 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 3hsk h ILE 364 N 0.00 0.83 0.00 2.41 2.04 -1.28 -3.49 117.51 118.02 3hsk h ILE 364 Ca -0.43 -2.42 0.00 0.00 1.00 0.00 0.00 64.86 63.01 3hsk h ILE 364 Cb 1.33 2.32 0.00 0.00 -0.74 0.00 0.00 36.82 39.73 3hsk h ILE 364 CO 0.60 0.47 0.00 -0.38 0.00 0.00 0.00 178.15 178.84