#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a0q s GLU 3 N 0.00 3.67 -0.12 0.38 8.01 -1.26 -4.82 118.70 124.56 1a0q s GLU 3 Ca 0.00 0.05 0.01 0.00 0.01 0.00 0.00 54.97 55.03 1a0q s GLU 3 Cb 0.00 -3.04 0.02 0.00 -4.31 0.00 0.00 34.13 26.80 1a0q s GLU 3 CO 0.00 0.60 -0.12 -0.51 0.01 0.00 0.00 175.26 175.24 1a0q s LEU 4 N -1.85 1.52 -0.43 1.80 1.43 -1.26 -1.35 118.68 118.54 1a0q s LEU 4 Ca 0.30 -0.40 -0.14 0.00 -1.03 0.00 0.00 54.13 52.87 1a0q s LEU 4 Cb -0.14 -1.02 0.04 0.00 0.03 0.00 0.00 46.19 45.11 1a0q s LEU 4 CO 0.17 -0.05 0.32 -0.89 0.23 0.00 0.00 176.35 176.13 1a0q s THR 5 N 1.37 5.10 -0.09 5.49 2.01 -0.14 -4.45 115.64 124.93 1a0q s THR 5 Ca 0.01 -0.88 -0.08 0.00 0.31 0.00 0.00 61.69 61.04 1a0q s THR 5 Cb -0.13 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 1a0q s THR 5 CO -0.07 -0.41 0.19 -1.58 -0.69 0.00 0.00 174.62 172.06 1a0q s GLN 6 N 1.63 3.53 -0.03 4.92 0.74 -1.26 -1.65 119.66 127.53 1a0q s GLN 6 Ca 0.04 -0.04 -0.05 0.00 0.05 0.00 0.00 55.36 55.36 1a0q s GLN 6 Cb -0.21 -3.19 0.01 0.00 1.10 0.00 0.00 33.01 30.72 1a0q s GLN 6 CO 0.08 0.76 0.12 0.45 -0.55 0.00 0.00 175.29 176.15 1a0q s SER 7 N -1.10 -0.07 0.74 6.67 0.15 -0.60 -4.53 113.70 114.96 1a0q s SER 7 Ca 0.17 0.10 -0.11 0.00 0.70 0.00 0.00 55.95 56.81 1a0q s SER 7 Cb -0.13 0.24 0.04 0.00 -1.71 0.00 0.00 66.02 64.46 1a0q s SER 7 CO 0.07 -0.15 1.08 -2.16 1.20 0.00 0.00 173.24 173.28 1a0q s PRO 8 N -0.40 2.53 0.35 5.44 0.04 -1.26 -0.84 135.00 140.86 1a0q s PRO 8 Ca -0.05 0.81 0.07 0.00 0.04 0.00 0.00 61.00 61.87 1a0q s PRO 8 Cb -0.03 -1.96 0.65 0.00 0.04 0.00 0.00 34.50 33.20 1a0q s PRO 8 CO 0.00 -1.35 1.84 1.03 0.04 0.00 0.00 177.00 178.57 1a0q h SER 9 N -0.90 0.30 -5.00 6.66 0.87 -1.80 -3.37 113.55 110.32 1a0q h SER 9 Ca -0.45 -0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 59.97 1a0q h SER 9 Cb 1.24 -0.08 -0.18 0.00 -0.44 0.00 0.00 62.40 62.94 1a0q h SER 9 CO 0.58 0.50 0.15 -0.94 -0.53 0.00 0.00 176.83 176.59 1a0q s SER 10 N -6.85 -0.59 0.03 6.23 1.04 -1.26 -2.14 113.70 110.16 1a0q s SER 10 Ca -0.06 0.52 -0.14 0.00 0.48 0.00 0.00 55.95 56.75 1a0q s SER 10 Cb 0.15 0.53 0.02 0.00 0.10 0.00 0.00 66.02 66.82 1a0q s SER 10 CO 0.75 -0.66 0.30 -0.22 0.98 0.00 0.00 173.24 174.39 1a0q s LEU 11 N -1.51 0.90 -0.13 2.42 2.96 -0.49 -4.90 118.68 117.92 1a0q s LEU 11 Ca -0.09 -0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 53.68 1a0q s LEU 11 Cb -0.01 1.31 0.04 0.00 0.50 0.00 0.00 46.19 48.04 1a0q s LEU 11 CO 0.05 -0.57 -0.03 -0.55 -1.32 0.00 0.00 176.35 173.93 1a0q s SER 12 N -1.90 2.37 0.07 3.68 0.15 -1.26 -1.10 113.70 115.72 1a0q s SER 12 Ca -0.07 -0.46 0.06 0.00 0.70 0.00 0.00 55.95 56.18 1a0q s SER 12 Cb -0.02 -0.72 -0.03 0.00 -1.71 0.00 0.00 66.02 63.54 1a0q s SER 12 CO -0.02 -0.19 -0.16 0.00 1.20 0.00 0.00 173.24 174.07 1a0q s ALA 13 N 1.77 1.37 0.94 5.45 0.00 -0.60 -4.94 121.76 125.76 1a0q s ALA 13 Ca 0.03 -1.03 -0.11 0.00 0.00 0.00 0.00 51.96 50.84 1a0q s ALA 13 Cb -0.14 -0.17 0.14 0.00 0.00 0.00 0.00 23.12 22.95 1a0q s ALA 13 CO -0.07 0.24 0.99 0.43 0.00 0.00 0.00 175.76 177.35 1a0q n SER 14 N 1.38 -0.27 -4.70 0.00 7.64 -1.26 -0.77 113.62 115.63 1a0q n SER 14 Ca -0.20 0.36 -0.42 0.00 1.01 0.00 0.00 58.87 59.62 1a0q n SER 14 Cb 0.54 -1.41 -0.03 0.00 -1.01 0.00 0.00 64.21 62.30 1a0q n SER 14 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1a0q s LEU 15 N -5.57 4.33 0.00 -3.43 2.96 -1.25 -2.85 118.68 112.86 1a0q s LEU 15 Ca 0.65 1.88 0.00 0.00 -0.22 0.00 0.00 54.13 56.44 1a0q s LEU 15 Cb -0.23 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.89 1a0q s LEU 15 CO 0.60 -0.49 0.00 0.61 -1.32 0.00 0.00 176.35 175.75 1a0q n GLY 16 N 3.24 0.60 0.00 7.98 0.00 0.02 -4.86 105.19 112.17 1a0q n GLY 16 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1a0q n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a0q n GLY 17 N -2.78 2.53 3.49 -0.02 0.00 -1.13 -3.84 105.19 103.44 1a0q n GLY 17 Ca 0.00 -2.12 -0.24 0.00 0.00 0.00 0.00 46.02 43.66 1a0q n GLY 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a0q s LYS 18 N -1.00 1.70 -0.12 1.61 2.20 -1.26 -0.96 119.74 121.91 1a0q s LYS 18 Ca 0.00 -1.83 -0.09 0.00 -0.36 0.00 0.00 55.97 53.69 1a0q s LYS 18 Cb 0.00 -1.64 0.04 0.00 -1.51 0.00 0.00 37.83 34.71 1a0q s LYS 18 CO 0.00 0.22 0.31 0.54 -0.36 0.00 0.00 175.35 176.06 1a0q s VAL 19 N -2.63 -0.01 -0.08 4.02 0.11 -0.38 -4.83 120.40 116.60 1a0q s VAL 19 Ca 0.30 0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.40 1a0q s VAL 19 Cb -0.01 -0.44 0.02 0.00 -1.53 0.00 0.00 36.38 34.42 1a0q s VAL 19 CO 0.15 0.02 -0.09 -0.89 -3.33 0.00 0.00 175.10 170.96 1a0q s THR 20 N 0.53 0.96 -0.10 5.04 2.01 -1.26 -2.19 115.64 120.64 1a0q s THR 20 Ca -0.03 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 61.65 1a0q s THR 20 Cb -0.05 -0.94 -0.03 0.00 0.01 0.00 0.00 72.50 71.50 1a0q s THR 20 CO -0.03 0.33 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.52 1a0q s ILE 21 N 1.16 3.52 0.05 1.82 1.01 -0.29 -4.64 121.20 123.82 1a0q s ILE 21 Ca -0.06 -0.53 0.06 0.00 0.00 0.00 0.00 60.65 60.12 1a0q s ILE 21 Cb -0.14 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 1a0q s ILE 21 CO -0.02 0.56 -0.12 0.42 0.00 0.00 0.00 174.94 175.79 1a0q s THR 22 N -0.31 3.26 -0.02 2.92 -4.23 -0.02 -1.26 115.64 116.00 1a0q s THR 22 Ca 0.04 -1.09 0.03 0.00 -1.18 0.00 0.00 61.69 59.49 1a0q s THR 22 Cb -0.13 -2.45 -0.01 0.00 1.34 0.00 0.00 72.50 71.26 1a0q s THR 22 CO 0.02 0.27 -0.12 0.00 -0.54 0.00 0.00 174.62 174.26 1a0q s LYS 24 N -0.14 1.43 0.55 0.00 2.47 -0.66 -1.16 119.74 122.23 1a0q s LYS 24 Ca 0.02 -1.04 -0.19 0.00 -1.56 0.00 0.00 55.97 53.21 1a0q s LYS 24 Cb -0.06 -2.54 -0.05 0.00 -1.46 0.00 0.00 37.83 33.71 1a0q s LYS 24 CO -0.00 -0.68 1.10 0.00 0.16 0.00 0.00 175.35 175.93 1a0q s ALA 25 N 1.41 2.71 -0.03 3.13 0.00 -0.31 -0.97 121.76 127.70 1a0q s ALA 25 Ca -0.02 0.68 0.22 0.00 0.00 0.00 0.00 51.96 52.84 1a0q s ALA 25 Cb -0.19 -3.31 0.61 0.00 0.00 0.00 0.00 23.12 20.22 1a0q s ALA 25 CO -0.09 -0.75 1.69 0.66 0.00 0.00 0.00 175.76 177.28 1a0q h SER 26 N 1.02 0.00 -4.64 0.00 4.64 -1.55 -3.46 113.55 109.56 1a0q h SER 26 Ca -0.49 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.50 1a0q h SER 26 Cb 1.25 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.19 1a0q h SER 26 CO 0.57 0.27 -0.62 -1.10 -0.87 0.00 0.00 176.83 175.07 1a0q s GLN 27 N -3.38 1.35 0.07 4.77 -0.21 -1.26 -5.01 119.66 115.98 1a0q s GLN 27 Ca 0.02 -1.72 -0.31 0.00 0.02 0.00 0.00 55.36 53.38 1a0q s GLN 27 Cb 0.09 -0.19 -0.08 0.00 1.00 0.00 0.00 33.01 33.82 1a0q s GLN 27 CO 0.67 -0.29 1.57 0.34 -2.12 0.00 0.00 175.29 175.46 1a0q s ASP 28 N -3.28 6.67 -0.01 5.90 2.15 -1.26 -4.50 116.67 122.34 1a0q s ASP 28 Ca 0.36 2.41 0.13 0.00 0.43 0.00 0.00 52.55 55.88 1a0q s ASP 28 Cb 0.08 -2.57 0.38 0.00 -0.30 0.00 0.00 42.92 40.51 1a0q s ASP 28 CO 0.12 -0.82 1.32 2.30 -0.17 0.00 0.00 175.17 177.92 1a0q n ILE 29 N 4.54 1.11 -3.99 4.11 -5.35 -0.77 -4.99 119.36 114.01 1a0q n ILE 29 Ca 0.15 -1.06 -0.30 0.00 -0.27 0.00 0.00 62.75 61.27 1a0q n ILE 29 Cb 0.41 0.44 -0.00 0.00 -1.74 0.00 0.00 39.64 38.75 1a0q n ILE 29 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1a0q n LYS 30 N 0.63 -4.21 -0.96 6.28 4.01 -1.25 -1.51 118.16 121.15 1a0q n LYS 30 Ca 0.14 0.49 0.00 0.00 -0.51 0.00 0.00 58.31 58.43 1a0q n LYS 30 Cb 0.50 -5.11 0.00 0.00 -0.51 0.00 0.00 35.03 29.91 1a0q n LYS 30 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1a0q n LYS 31 N -4.48 -1.13 -2.18 1.97 5.02 -1.26 -4.93 118.16 111.17 1a0q n LYS 31 Ca -0.07 0.28 -0.42 0.00 -2.02 0.00 0.00 58.31 56.08 1a0q n LYS 31 Cb 0.57 -4.24 0.00 0.00 -0.02 0.00 0.00 35.03 31.34 1a0q n LYS 31 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1a0q n TYR 32 N -2.30 3.30 -4.28 2.13 4.02 -0.57 -2.57 117.16 116.89 1a0q n TYR 32 Ca 0.00 -2.88 -0.18 0.00 -0.01 0.00 0.00 57.90 54.82 1a0q n TYR 32 Cb 0.28 -2.18 -0.13 0.00 -0.02 0.00 0.00 39.34 37.29 1a0q n TYR 32 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 176.86 174.35 1a0q s ILE 33 N 1.48 0.94 0.17 -0.72 2.07 -1.26 -1.47 121.20 122.42 1a0q s ILE 33 Ca 0.43 -0.93 0.07 0.00 -1.41 0.00 0.00 60.65 58.80 1a0q s ILE 33 Cb 0.10 -0.87 -0.04 0.00 0.13 0.00 0.00 42.46 41.78 1a0q s ILE 33 CO -0.02 -0.05 -0.13 -0.83 -1.91 0.00 0.00 174.94 171.99 1a0q s GLY 34 N -1.11 1.27 -0.07 1.50 0.00 0.54 -1.65 107.32 107.80 1a0q s GLY 34 Ca -0.00 -1.55 0.01 0.00 0.00 0.00 0.00 44.72 43.17 1a0q s GLY 34 CO 0.01 -1.64 -0.06 -0.98 0.00 0.00 0.00 173.10 170.43 1a0q s TRP 35 N -2.91 1.01 0.09 1.90 0.52 0.26 -0.16 118.94 119.65 1a0q s TRP 35 Ca 0.19 -0.36 0.08 0.00 0.02 0.00 0.00 56.10 56.02 1a0q s TRP 35 Cb -0.01 -0.87 -0.04 0.00 -1.15 0.00 0.00 33.47 31.40 1a0q s TRP 35 CO 0.04 -0.29 -0.15 0.71 0.02 0.00 0.00 176.95 177.28 1a0q s TYR 36 N 1.18 2.61 -0.23 -1.98 1.51 0.13 -1.14 117.35 119.44 1a0q s TYR 36 Ca -0.06 -0.22 -0.03 0.00 -1.01 0.00 0.00 57.07 55.74 1a0q s TYR 36 Cb -0.14 -1.40 0.00 0.00 -0.11 0.00 0.00 41.96 40.31 1a0q s TYR 36 CO -0.02 0.37 -0.05 -1.14 -1.11 0.00 0.00 175.55 173.61 1a0q s GLN 37 N -2.00 3.18 -0.36 -0.62 0.74 0.01 -1.32 119.66 119.28 1a0q s GLN 37 Ca 0.18 -0.76 -0.02 0.00 0.05 0.00 0.00 55.36 54.82 1a0q s GLN 37 Cb -0.11 -3.01 0.09 0.00 1.10 0.00 0.00 33.01 31.08 1a0q s GLN 37 CO 0.10 -0.28 0.12 -1.58 -0.55 0.00 0.00 175.29 173.11 1a0q s HIS 38 N 1.43 3.48 0.05 1.67 2.46 0.11 -0.72 115.29 123.77 1a0q s HIS 38 Ca 0.04 -2.24 -0.18 0.00 0.47 0.00 0.00 55.06 53.15 1a0q s HIS 38 Cb -0.15 -2.80 -0.06 0.00 -0.13 0.00 0.00 32.58 29.44 1a0q s HIS 38 CO -0.04 -0.91 0.51 0.15 -2.47 0.00 0.00 174.74 171.99 1a0q s LYS 39 N 1.17 4.10 -0.18 2.88 1.02 -1.24 -1.29 119.74 126.21 1a0q s LYS 39 Ca 0.04 0.63 -0.41 0.00 0.02 0.00 0.00 55.97 56.24 1a0q s LYS 39 Cb -0.21 -3.23 -0.18 0.00 -0.52 0.00 0.00 37.83 33.69 1a0q s LYS 39 CO -0.03 0.66 1.48 -2.30 -0.92 0.00 0.00 175.35 174.23 1a0q n PRO 40 N 1.75 0.67 -2.38 -1.68 -0.01 -1.26 -1.76 135.00 130.34 1a0q n PRO 40 Ca -0.12 0.24 -0.20 0.00 -0.01 0.00 0.00 63.50 63.42 1a0q n PRO 40 Cb 0.51 -1.84 -0.01 0.00 -0.01 0.00 0.00 33.50 32.15 1a0q n PRO 40 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1a0q n GLY 41 N 3.20 -0.44 0.00 -1.23 0.00 -1.26 -4.96 105.19 100.51 1a0q n GLY 41 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1a0q n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1a0q n LYS 42 N -2.94 0.21 -1.92 1.61 5.02 -0.72 -5.13 118.16 114.28 1a0q n LYS 42 Ca -0.24 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.63 1a0q n LYS 42 Cb 0.68 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.66 1a0q n LYS 42 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1a0q s GLN 43 N 0.65 4.20 -0.07 1.97 -2.07 -1.26 -4.77 119.66 118.32 1a0q s GLN 43 Ca 0.00 2.35 -0.30 0.00 -1.82 0.00 0.00 55.36 55.60 1a0q s GLN 43 Cb 0.00 -3.44 -0.06 0.00 -1.09 0.00 0.00 33.01 28.42 1a0q s GLN 43 CO 0.00 -0.69 1.75 -2.14 -1.32 0.00 0.00 175.29 172.89 1a0q s PRO 44 N 2.11 4.05 -0.19 9.60 0.02 -1.26 -3.61 135.00 145.72 1a0q s PRO 44 Ca 0.73 2.20 -0.01 0.00 0.02 0.00 0.00 61.00 63.94 1a0q s PRO 44 Cb -0.41 -4.06 0.01 0.00 0.02 0.00 0.00 34.50 30.06 1a0q s PRO 44 CO 0.32 -1.01 -0.14 0.50 -0.33 0.00 0.00 177.00 176.34 1a0q s ARG 45 N 4.37 3.16 0.10 5.54 3.52 0.10 -4.93 118.95 130.81 1a0q s ARG 45 Ca 0.78 -0.74 -0.30 0.00 -0.13 0.00 0.00 55.73 55.33 1a0q s ARG 45 Cb -0.34 -2.74 -0.06 0.00 -1.56 0.00 0.00 34.95 30.25 1a0q s ARG 45 CO 0.32 -0.18 1.12 -1.17 -0.81 0.00 0.00 175.30 174.58 1a0q s LEU 46 N 1.31 4.42 -0.14 -0.88 2.96 -1.26 -0.81 118.68 124.28 1a0q s LEU 46 Ca 0.04 1.99 -0.06 0.00 -0.22 0.00 0.00 54.13 55.88 1a0q s LEU 46 Cb -0.14 -3.59 -0.07 0.00 0.50 0.00 0.00 46.19 42.90 1a0q s LEU 46 CO -0.08 -0.32 -0.18 0.18 -1.32 0.00 0.00 176.35 174.63 1a0q n LEU 47 N 3.22 1.23 -3.89 -0.68 4.77 -0.29 -4.80 117.00 116.56 1a0q n LEU 47 Ca 0.06 0.15 -0.19 0.00 -0.03 0.00 0.00 56.01 55.99 1a0q n LEU 47 Cb 0.47 -0.43 -0.16 0.00 -2.33 0.00 0.00 43.42 40.97 1a0q n LEU 47 CO 0.54 0.35 -0.40 -0.63 -1.33 0.00 0.00 177.39 175.91 1a0q s ILE 48 N -2.27 0.49 0.24 -0.08 1.01 -1.10 -0.23 121.20 119.27 1a0q s ILE 48 Ca -0.20 -0.10 0.08 0.00 0.00 0.00 0.00 60.65 60.43 1a0q s ILE 48 Cb 0.07 -0.52 -0.05 0.00 0.01 0.00 0.00 42.46 41.97 1a0q s ILE 48 CO 0.26 0.21 -0.12 -1.38 0.00 0.00 0.00 174.94 173.92 1a0q s HIS 49 N 0.90 1.86 -1.31 3.97 -3.43 0.86 -0.57 115.29 117.57 1a0q s HIS 49 Ca -0.11 -0.60 -0.09 0.00 -0.80 0.00 0.00 55.06 53.46 1a0q s HIS 49 Cb -0.14 -0.94 0.00 0.00 -1.43 0.00 0.00 32.58 30.07 1a0q s HIS 49 CO 0.00 0.36 0.55 0.98 -2.00 0.00 0.00 174.74 174.63 1a0q n TYR 50 N -0.48 -1.70 0.00 0.38 9.36 -0.70 -1.43 117.16 122.57 1a0q n TYR 50 Ca -0.07 0.60 0.00 0.00 3.32 0.00 0.00 57.90 61.76 1a0q n TYR 50 Cb 0.61 -3.57 0.00 0.00 -0.63 0.00 0.00 39.34 35.75 1a0q n TYR 50 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1a0q n THR 51 N -4.38 0.00 0.08 2.97 -1.04 -0.66 -3.82 114.28 107.43 1a0q n THR 51 Ca -0.23 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 61.80 1a0q n THR 51 Cb 0.65 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.14 1a0q n THR 51 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1a0q n SER 52 N 1.02 1.99 -4.64 8.00 7.64 -1.24 -4.00 113.62 122.38 1a0q n SER 52 Ca 0.00 -0.32 -0.43 0.00 1.01 0.00 0.00 58.87 59.13 1a0q n SER 52 Cb 0.00 1.07 -0.02 0.00 -1.01 0.00 0.00 64.21 64.25 1a0q n SER 52 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1a0q s THR 53 N -1.73 4.60 0.26 0.44 2.01 -0.52 -4.61 115.64 116.10 1a0q s THR 53 Ca 0.00 1.77 -0.30 0.00 0.31 0.00 0.00 61.69 63.48 1a0q s THR 53 Cb 0.02 -4.35 -0.09 0.00 0.01 0.00 0.00 72.50 68.09 1a0q s THR 53 CO 0.14 -0.35 1.02 -0.22 -0.69 0.00 0.00 174.62 174.52 1a0q s LEU 54 N 3.42 4.59 0.65 4.42 2.96 -1.26 -0.10 118.68 133.36 1a0q s LEU 54 Ca 0.43 2.11 -0.10 0.00 -0.22 0.00 0.00 54.13 56.36 1a0q s LEU 54 Cb -0.13 -3.64 -0.00 0.00 0.50 0.00 0.00 46.19 42.92 1a0q s LEU 54 CO 0.12 -0.01 1.03 -0.76 -1.32 0.00 0.00 176.35 175.41 1a0q s LEU 55 N -1.36 3.07 0.29 -0.68 1.02 0.68 -4.90 118.68 116.81 1a0q s LEU 55 Ca 0.43 1.10 -0.29 0.00 0.02 0.00 0.00 54.13 55.39 1a0q s LEU 55 Cb -0.29 -3.96 -0.10 0.00 0.02 0.00 0.00 46.19 41.87 1a0q s LEU 55 CO 0.36 -1.15 1.26 -2.84 0.02 0.00 0.00 176.35 174.01 1a0q s PRO 56 N -5.22 4.42 0.00 1.29 0.02 -1.26 -2.94 135.00 131.32 1a0q s PRO 56 Ca 0.56 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.67 1a0q s PRO 56 Cb -0.11 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.29 1a0q s PRO 56 CO 0.51 -0.12 0.00 0.41 -0.33 0.00 0.00 177.00 177.47 1a0q n GLY 57 N 1.25 2.96 3.69 0.52 0.00 -1.26 -4.99 105.19 107.35 1a0q n GLY 57 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1a0q n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a0q s ILE 58 N -1.69 3.48 0.64 -0.61 -1.09 -1.15 -4.95 121.20 115.82 1a0q s ILE 58 Ca 0.00 0.86 -0.17 0.00 -2.23 0.00 0.00 60.65 59.10 1a0q s ILE 58 Cb 0.00 -3.55 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 1a0q s ILE 58 CO 0.00 -0.01 0.91 -2.65 -1.23 0.00 0.00 174.94 171.96 1a0q n PRO 59 N 5.64 0.73 -0.26 2.79 -0.02 -1.26 -4.91 135.00 137.71 1a0q n PRO 59 Ca 0.14 0.29 0.18 0.00 -2.02 0.00 0.00 63.50 62.10 1a0q n PRO 59 Cb 0.42 -2.13 0.48 0.00 -0.02 0.00 0.00 33.50 32.25 1a0q n PRO 59 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1a0q h SER 60 N 0.22 0.47 0.12 2.55 0.87 -2.00 -1.92 113.55 113.85 1a0q h SER 60 Ca -0.48 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1a0q h SER 60 Cb 1.36 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 1a0q h SER 60 CO 0.49 0.18 0.00 -2.11 -0.53 0.00 0.00 176.83 174.86 1a0q n ARG 61 N -4.55 0.06 -3.48 2.24 1.85 -1.26 -4.47 116.66 107.05 1a0q n ARG 61 Ca 0.20 0.51 -0.37 0.00 -1.00 0.00 0.00 57.85 57.19 1a0q n ARG 61 Cb 0.68 -1.68 -0.07 0.00 -1.05 0.00 0.00 32.46 30.35 1a0q n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1a0q s PHE 62 N -3.21 3.50 0.06 2.89 0.40 -0.73 -1.89 117.98 119.02 1a0q s PHE 62 Ca 0.00 0.71 -0.00 0.00 -0.60 0.00 0.00 56.93 57.05 1a0q s PHE 62 Cb 0.04 -2.38 -0.04 0.00 0.51 0.00 0.00 43.02 41.15 1a0q s PHE 62 CO 0.13 0.27 -0.04 1.03 0.70 0.00 0.00 175.22 177.31 1a0q s ARG 63 N 0.32 0.67 0.01 0.44 0.52 -0.22 -4.96 118.95 115.72 1a0q s ARG 63 Ca 0.20 -1.23 0.00 0.00 -0.52 0.00 0.00 55.73 54.18 1a0q s ARG 63 Cb -0.14 0.08 -0.01 0.00 0.52 0.00 0.00 34.95 35.40 1a0q s ARG 63 CO 0.07 -0.08 -0.02 0.20 0.02 0.00 0.00 175.30 175.49 1a0q s GLY 64 N -2.89 0.13 0.18 -3.53 0.00 -1.26 -1.52 107.32 98.43 1a0q s GLY 64 Ca 0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 44.72 44.48 1a0q s GLY 64 CO -0.08 -0.33 0.12 -0.56 0.00 0.00 0.00 173.10 172.25 1a0q s SER 65 N -0.71 0.19 0.00 1.64 0.01 -0.18 -4.27 113.70 110.38 1a0q s SER 65 Ca -0.07 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 55.87 1a0q s SER 65 Cb -0.05 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.54 1a0q s SER 65 CO -0.00 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.44 1a0q n GLY 66 N -0.22 2.72 3.69 3.44 0.00 -1.26 -1.67 105.19 111.88 1a0q n GLY 66 Ca -0.00 -2.01 -0.02 0.00 0.00 0.00 0.00 46.02 43.98 1a0q n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a0q s SER 67 N 0.00 -0.14 1.72 1.61 1.04 -1.11 -4.89 113.70 111.93 1a0q s SER 67 Ca 0.00 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1a0q s SER 67 Cb 0.00 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1a0q s SER 67 CO 0.00 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.18 1a0q n GLY 68 N -0.45 3.07 0.00 7.32 0.00 -1.26 -2.01 105.19 111.86 1a0q n GLY 68 Ca -0.07 0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.06 1a0q n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a0q n ARG 69 N 9.28 2.32 -3.79 1.61 1.74 -1.26 -1.85 116.66 124.71 1a0q n ARG 69 Ca 0.00 -0.04 -0.37 0.00 -0.77 0.00 0.00 57.85 56.68 1a0q n ARG 69 Cb 0.00 -1.09 -0.13 0.00 -1.02 0.00 0.00 32.46 30.22 1a0q n ARG 69 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1a0q s ASP 70 N -2.46 4.95 0.07 0.55 1.01 -0.85 -1.16 116.67 118.79 1a0q s ASP 70 Ca 0.01 -0.59 0.07 0.00 0.71 0.00 0.00 52.55 52.75 1a0q s ASP 70 Cb 0.07 -1.85 -0.03 0.00 1.01 0.00 0.00 42.92 42.12 1a0q s ASP 70 CO 0.43 -0.13 -0.18 -0.31 0.21 0.00 0.00 175.17 175.18 1a0q s TYR 71 N 1.50 1.56 0.09 4.23 2.02 -0.31 -2.76 117.35 123.68 1a0q s TYR 71 Ca 0.04 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.34 1a0q s TYR 71 Cb -0.16 -0.88 -0.04 0.00 -0.40 0.00 0.00 41.96 40.47 1a0q s TYR 71 CO 0.01 0.12 -0.06 -1.54 -1.57 0.00 0.00 175.55 172.51 1a0q s SER 72 N -1.62 1.05 -0.06 2.29 1.04 -0.67 -1.21 113.70 114.52 1a0q s SER 72 Ca 0.04 -0.96 -0.06 0.00 0.48 0.00 0.00 55.95 55.44 1a0q s SER 72 Cb -0.09 0.10 0.01 0.00 0.10 0.00 0.00 66.02 66.14 1a0q s SER 72 CO 0.03 -0.46 0.16 0.12 0.98 0.00 0.00 173.24 174.08 1a0q s PHE 73 N -3.45 -0.16 0.05 5.02 5.36 -0.39 -1.01 117.98 123.41 1a0q s PHE 73 Ca 0.09 0.38 0.01 0.00 -0.96 0.00 0.00 56.93 56.46 1a0q s PHE 73 Cb 0.04 0.05 -0.03 0.00 -0.34 0.00 0.00 43.02 42.74 1a0q s PHE 73 CO -0.05 -0.11 -0.06 -1.12 -1.46 0.00 0.00 175.22 172.42 1a0q s SER 74 N -0.08 0.68 -0.03 6.13 0.01 -0.58 -1.14 113.70 118.69 1a0q s SER 74 Ca -0.02 -0.66 -0.01 0.00 1.31 0.00 0.00 55.95 56.57 1a0q s SER 74 Cb -0.02 0.08 0.03 0.00 0.21 0.00 0.00 66.02 66.32 1a0q s SER 74 CO 0.00 -0.32 0.04 -0.63 0.41 0.00 0.00 173.24 172.75 1a0q s ILE 75 N -2.04 -0.07 0.30 1.44 1.01 -0.93 -1.06 121.20 119.85 1a0q s ILE 75 Ca -0.06 0.32 0.10 0.00 0.00 0.00 0.00 60.65 61.01 1a0q s ILE 75 Cb -0.06 -0.13 -0.05 0.00 0.01 0.00 0.00 42.46 42.23 1a0q s ILE 75 CO -0.02 0.14 -0.09 -0.94 0.00 0.00 0.00 174.94 174.03 1a0q s SER 76 N 1.65 3.97 -1.10 3.58 1.04 -0.79 -1.25 113.70 120.80 1a0q s SER 76 Ca -0.02 -0.95 -0.13 0.00 0.48 0.00 0.00 55.95 55.33 1a0q s SER 76 Cb -0.12 -0.49 -0.04 0.00 0.10 0.00 0.00 66.02 65.47 1a0q s SER 76 CO -0.03 -0.07 0.85 0.59 0.98 0.00 0.00 173.24 175.57 1a0q n ASN 77 N -0.78 -5.86 -4.74 7.02 3.02 -0.13 -4.81 115.26 108.97 1a0q n ASN 77 Ca -0.05 -0.87 -0.42 0.00 -0.03 0.00 0.00 54.58 53.21 1a0q n ASN 77 Cb 0.61 -4.27 -0.02 0.00 -0.61 0.00 0.00 39.78 35.49 1a0q n ASN 77 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1a0q n LEU 78 N -3.74 4.31 -4.43 3.41 7.99 -1.00 -4.68 117.00 118.86 1a0q n LEU 78 Ca -0.09 1.15 -0.29 0.00 -0.01 0.00 0.00 56.01 56.77 1a0q n LEU 78 Cb 0.61 -1.58 -0.12 0.00 -0.11 0.00 0.00 43.42 42.21 1a0q n LEU 78 CO 0.63 0.11 -0.53 -1.61 -1.51 0.00 0.00 177.39 174.48 1a0q s GLU 79 N -0.61 1.66 0.34 3.23 2.02 -1.26 -0.80 118.70 123.28 1a0q s GLU 79 Ca 0.64 -1.22 0.11 0.00 0.02 0.00 0.00 54.97 54.52 1a0q s GLU 79 Cb -0.50 -2.02 0.92 0.00 0.10 0.00 0.00 34.13 32.63 1a0q s GLU 79 CO 0.50 0.48 1.75 -1.35 0.02 0.00 0.00 175.26 176.65 1a0q h PRO 80 N 3.98 0.54 -0.25 0.39 0.11 -1.90 -2.14 132.00 132.73 1a0q h PRO 80 Ca -0.50 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 65.65 1a0q h PRO 80 Cb 1.17 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1a0q h PRO 80 CO 0.43 0.36 0.39 1.05 -0.21 0.00 0.00 178.00 180.02 1a0q h GLU 81 N 0.56 0.00 -0.20 1.05 4.11 -1.86 -2.36 114.58 115.88 1a0q h GLU 81 Ca 0.62 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.05 1a0q h GLU 81 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1a0q h GLU 81 CO -0.40 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.43 1a0q n ASP 82 N -3.43 0.53 -4.63 3.06 8.00 -0.80 -4.80 116.55 114.46 1a0q n ASP 82 Ca 0.04 -2.01 -0.43 0.00 0.71 0.00 0.00 54.79 53.09 1a0q n ASP 82 Cb 0.51 -0.12 -0.02 0.00 -0.02 0.00 0.00 41.12 41.47 1a0q n ASP 82 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1a0q s ILE 83 N -1.80 4.06 0.08 0.53 1.01 -0.89 -4.94 121.20 119.26 1a0q s ILE 83 Ca 0.05 1.21 -0.27 0.00 0.00 0.00 0.00 60.65 61.64 1a0q s ILE 83 Cb 0.03 -4.04 0.09 0.00 0.01 0.00 0.00 42.46 38.54 1a0q s ILE 83 CO 0.03 -0.40 1.12 0.00 0.00 0.00 0.00 174.94 175.69 1a0q s ALA 84 N 4.43 -1.93 -0.18 9.38 0.00 -1.24 -4.80 121.76 127.41 1a0q s ALA 84 Ca 0.59 0.34 -0.08 0.00 0.00 0.00 0.00 51.96 52.81 1a0q s ALA 84 Cb -0.19 0.53 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 1a0q s ALA 84 CO 0.23 -1.05 0.08 0.99 0.00 0.00 0.00 175.76 176.01 1a0q s THR 85 N -2.79 4.98 -0.10 0.00 2.01 -0.41 -1.46 115.64 117.87 1a0q s THR 85 Ca 0.14 0.03 -0.02 0.00 0.31 0.00 0.00 61.69 62.15 1a0q s THR 85 Cb 0.01 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.25 1a0q s THR 85 CO -0.00 0.48 0.00 -0.31 -0.69 0.00 0.00 174.62 174.09 1a0q s TYR 86 N 0.19 3.15 0.03 4.92 1.51 -0.06 -0.71 117.35 126.38 1a0q s TYR 86 Ca 0.06 0.14 0.06 0.00 -1.01 0.00 0.00 57.07 56.32 1a0q s TYR 86 Cb -0.12 -1.82 -0.02 0.00 -0.11 0.00 0.00 41.96 39.88 1a0q s TYR 86 CO -0.00 0.40 -0.19 0.71 -1.11 0.00 0.00 175.55 175.36 1a0q s TYR 87 N -0.67 1.64 0.43 2.71 2.02 -0.44 -1.30 117.35 121.73 1a0q s TYR 87 Ca 0.11 -0.35 0.01 0.00 -0.37 0.00 0.00 57.07 56.47 1a0q s TYR 87 Cb -0.12 -0.99 -0.01 0.00 -0.40 0.00 0.00 41.96 40.44 1a0q s TYR 87 CO 0.02 0.06 0.63 0.00 -1.57 0.00 0.00 175.55 174.69 1a0q s LEU 89 N -4.48 -0.83 0.02 0.00 2.96 0.77 -1.60 118.68 115.52 1a0q s LEU 89 Ca 0.47 0.94 -0.19 0.00 -0.22 0.00 0.00 54.13 55.13 1a0q s LEU 89 Cb -0.10 1.59 -0.06 0.00 0.50 0.00 0.00 46.19 48.13 1a0q s LEU 89 CO 0.37 -0.25 0.55 0.00 -1.32 0.00 0.00 176.35 175.70 1a0q s GLN 90 N 2.69 4.22 -0.16 1.98 1.03 -0.81 -0.34 119.66 128.27 1a0q s GLN 90 Ca 0.03 0.68 0.16 0.00 0.04 0.00 0.00 55.36 56.27 1a0q s GLN 90 Cb -0.13 -3.29 0.43 0.00 0.03 0.00 0.00 33.01 30.05 1a0q s GLN 90 CO -0.16 0.51 1.19 2.48 -2.54 0.00 0.00 175.29 176.78 1a0q n TYR 91 N 2.24 0.35 -0.02 9.60 4.11 -0.54 -2.47 117.16 130.43 1a0q n TYR 91 Ca -0.09 -1.30 -0.15 0.00 -0.00 0.00 0.00 57.90 56.36 1a0q n TYR 91 Cb 0.51 -0.23 -0.10 0.00 -0.00 0.00 0.00 39.34 39.52 1a0q n TYR 91 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 1a0q h TYR 92 N 1.22 0.41 -2.83 -3.48 3.20 -1.84 -3.42 116.97 110.22 1a0q h TYR 92 Ca -0.04 -0.20 -0.41 0.00 3.14 0.00 0.00 58.73 61.22 1a0q h TYR 92 Cb 1.35 -0.06 -0.39 0.00 1.54 0.00 0.00 36.73 39.18 1a0q h TYR 92 CO 0.57 0.97 -0.71 1.21 -1.64 0.00 0.00 178.16 178.56 1a0q s ASN 93 N -6.42 2.06 0.97 -2.11 3.84 -1.26 -5.08 114.94 106.94 1a0q s ASN 93 Ca -0.15 -0.52 0.00 0.00 0.21 0.00 0.00 52.86 52.40 1a0q s ASN 93 Cb 0.03 -0.01 0.00 0.00 -0.55 0.00 0.00 41.25 40.72 1a0q s ASN 93 CO 0.77 -0.35 0.00 0.18 -2.79 0.00 0.00 177.10 174.91 1a0q n LEU 94 N 5.29 0.00 -4.02 3.21 4.77 -1.26 -4.82 117.00 120.17 1a0q n LEU 94 Ca -0.06 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.75 1a0q n LEU 94 Cb 0.49 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.44 1a0q n LEU 94 CO 0.09 0.00 -0.42 -0.13 -1.33 0.00 0.00 177.39 175.60 1a0q s ARG 96 N 0.00 0.62 -0.10 3.23 3.00 -1.26 -4.21 118.95 120.23 1a0q s ARG 96 Ca 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 55.73 55.27 1a0q s ARG 96 Cb 0.00 -0.56 0.05 0.00 0.00 0.00 0.00 34.95 34.44 1a0q s ARG 96 CO 0.00 0.14 0.21 0.99 0.00 0.00 0.00 175.30 176.64 1a0q s THR 97 N -0.49 -0.18 0.48 0.02 2.01 -1.03 -5.00 115.64 111.44 1a0q s THR 97 Ca 0.00 0.23 -0.06 0.00 0.31 0.00 0.00 61.69 62.17 1a0q s THR 97 Cb -0.05 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 72.08 1a0q s THR 97 CO 0.00 0.10 0.79 -0.36 -0.69 0.00 0.00 174.62 174.46 1a0q s PHE 98 N 1.73 3.56 0.88 4.92 0.08 -1.26 -1.92 117.98 125.97 1a0q s PHE 98 Ca -0.04 0.86 -0.13 0.00 0.12 0.00 0.00 56.93 57.74 1a0q s PHE 98 Cb -0.11 -2.33 0.16 0.00 -0.57 0.00 0.00 43.02 40.16 1a0q s PHE 98 CO -0.07 -0.28 1.23 0.20 -0.10 0.00 0.00 175.22 176.20 1a0q s GLY 99 N -4.00 1.73 0.05 4.36 0.00 -0.63 -4.58 107.32 104.25 1a0q s GLY 99 Ca 0.48 -1.12 0.20 0.00 0.00 0.00 0.00 44.72 44.28 1a0q s GLY 99 CO 0.44 -0.46 1.64 0.61 0.00 0.00 0.00 173.10 175.33 1a0q n GLY 100 N -3.51 -1.21 0.00 0.20 0.00 -1.26 -4.81 105.19 94.61 1a0q n GLY 100 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1a0q n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a0q n GLY 101 N 0.47 0.19 2.83 -0.02 0.00 -1.26 -5.00 105.19 102.40 1a0q n GLY 101 Ca 0.04 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.18 1a0q n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a0q s THR 102 N -2.85 1.04 -0.37 2.61 2.01 -0.42 -4.31 115.64 113.36 1a0q s THR 102 Ca 0.00 -0.98 -0.27 0.00 0.31 0.00 0.00 61.69 60.74 1a0q s THR 102 Cb 0.00 -1.47 0.02 0.00 0.01 0.00 0.00 72.50 71.05 1a0q s THR 102 CO 0.00 -0.22 1.01 -0.75 -0.69 0.00 0.00 174.62 173.97 1a0q s LYS 103 N 1.61 3.90 -0.15 4.92 2.20 -0.91 -0.88 119.74 130.43 1a0q s LYS 103 Ca -0.02 0.75 -0.07 0.00 -0.36 0.00 0.00 55.97 56.27 1a0q s LYS 103 Cb -0.18 -3.80 -0.04 0.00 -1.51 0.00 0.00 37.83 32.30 1a0q s LYS 103 CO -0.09 -1.00 0.08 -1.17 -0.36 0.00 0.00 175.35 172.81 1a0q s LEU 104 N 3.69 3.95 0.02 5.43 2.96 -0.53 -1.39 118.68 132.80 1a0q s LEU 104 Ca 0.42 0.20 0.06 0.00 -0.22 0.00 0.00 54.13 54.59 1a0q s LEU 104 Cb -0.11 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 1a0q s LEU 104 CO 0.20 0.27 -0.15 -0.70 -1.32 0.00 0.00 176.35 174.65 1a0q s GLU 105 N -0.22 2.26 -0.17 1.98 2.12 -0.26 -3.72 118.70 120.69 1a0q s GLU 105 Ca 0.08 -0.87 0.01 0.00 0.36 0.00 0.00 54.97 54.55 1a0q s GLU 105 Cb -0.12 -2.29 0.01 0.00 0.26 0.00 0.00 34.13 31.99 1a0q s GLU 105 CO 0.01 0.57 -0.19 0.42 -0.54 0.00 0.00 175.26 175.53 1a0q s ILE 106 N -0.91 2.20 0.95 -3.70 1.01 -1.26 -1.56 121.20 117.93 1a0q s ILE 106 Ca 0.15 -0.90 -0.12 0.00 0.00 0.00 0.00 60.65 59.78 1a0q s ILE 106 Cb -0.11 -1.92 0.10 0.00 0.01 0.00 0.00 42.46 40.55 1a0q s ILE 106 CO 0.05 0.53 0.76 0.29 0.00 0.00 0.00 174.94 176.57 1a0q n LYS 107 N 4.44 -0.51 -3.73 2.79 5.02 0.05 -4.89 118.16 121.33 1a0q n LYS 107 Ca -0.20 -0.10 -0.09 0.00 -2.02 0.00 0.00 58.31 55.90 1a0q n LYS 107 Cb 0.51 -2.10 -0.03 0.00 -0.02 0.00 0.00 35.03 33.38 1a0q n LYS 107 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1a0q s ARG 108 N -4.12 1.52 0.19 1.97 3.52 -1.26 -3.94 118.95 116.83 1a0q s ARG 108 Ca 0.62 -0.84 -0.31 0.00 -0.13 0.00 0.00 55.73 55.06 1a0q s ARG 108 Cb -0.22 0.57 -0.10 0.00 -1.56 0.00 0.00 34.95 33.64 1a0q s ARG 108 CO 0.63 -0.67 1.55 0.00 -0.81 0.00 0.00 175.30 176.00 1a0q s ALA 109 N -3.87 3.75 0.15 6.12 0.00 -1.26 -4.91 121.76 121.74 1a0q s ALA 109 Ca 0.09 1.39 -0.34 0.00 0.00 0.00 0.00 51.96 53.09 1a0q s ALA 109 Cb -0.03 -3.61 -0.16 0.00 0.00 0.00 0.00 23.12 19.32 1a0q s ALA 109 CO -0.01 -0.79 1.29 -0.25 0.00 0.00 0.00 175.76 176.00 1a0q n ASP 110 N 3.51 1.79 -3.94 0.00 9.92 -1.26 -4.72 116.55 121.86 1a0q n ASP 110 Ca 0.12 1.13 -0.22 0.00 -0.53 0.00 0.00 54.79 55.29 1a0q n ASP 110 Cb 0.39 -1.26 -0.16 0.00 -0.64 0.00 0.00 41.12 39.44 1a0q n ASP 110 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1a0q s ALA 111 N 0.14 0.91 0.26 2.24 0.00 -1.09 -4.87 121.76 119.35 1a0q s ALA 111 Ca 0.76 -0.21 -0.30 0.00 0.00 0.00 0.00 51.96 52.22 1a0q s ALA 111 Cb -0.84 -0.50 -0.09 0.00 0.00 0.00 0.00 23.12 21.69 1a0q s ALA 111 CO 0.49 0.00 1.02 0.00 0.00 0.00 0.00 175.76 177.27 1a0q s ALA 112 N 0.88 3.37 0.62 0.00 0.00 -1.26 -1.57 121.76 123.80 1a0q s ALA 112 Ca -0.11 0.76 -0.16 0.00 0.00 0.00 0.00 51.96 52.45 1a0q s ALA 112 Cb -0.15 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 1a0q s ALA 112 CO 0.01 0.02 1.10 -1.25 0.00 0.00 0.00 175.76 175.64 1a0q s PRO 113 N -1.30 3.06 -0.32 0.00 0.04 -1.26 -4.60 135.00 130.62 1a0q s PRO 113 Ca 0.43 1.39 -0.10 0.00 0.04 0.00 0.00 61.00 62.75 1a0q s PRO 113 Cb -0.29 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 1a0q s PRO 113 CO 0.37 -1.04 0.16 0.99 0.04 0.00 0.00 177.00 177.52 1a0q s THR 114 N -2.25 4.65 0.01 1.26 2.01 -0.25 -4.88 115.64 116.19 1a0q s THR 114 Ca 0.67 -0.42 -0.09 0.00 0.31 0.00 0.00 61.69 62.15 1a0q s THR 114 Cb -0.20 -3.38 -0.05 0.00 0.01 0.00 0.00 72.50 68.88 1a0q s THR 114 CO 0.37 0.05 0.32 -0.69 -0.69 0.00 0.00 174.62 173.98 1a0q s VAL 115 N 1.62 5.20 -0.17 3.82 1.01 -1.25 -0.33 120.40 130.30 1a0q s VAL 115 Ca 0.05 0.41 -0.04 0.00 0.00 0.00 0.00 61.98 62.39 1a0q s VAL 115 Cb -0.17 -3.60 0.08 0.00 0.00 0.00 0.00 36.38 32.69 1a0q s VAL 115 CO 0.07 0.42 0.27 -0.44 0.00 0.00 0.00 175.10 175.41 1a0q s SER 116 N -1.50 0.66 0.04 3.32 0.01 0.20 -4.97 113.70 111.45 1a0q s SER 116 Ca 0.27 0.28 -0.09 0.00 1.31 0.00 0.00 55.95 57.72 1a0q s SER 116 Cb -0.14 0.67 -0.05 0.00 0.21 0.00 0.00 66.02 66.70 1a0q s SER 116 CO 0.15 -0.28 0.35 -0.51 0.41 0.00 0.00 173.24 173.36 1a0q s ILE 117 N 2.41 5.17 -0.04 1.44 2.07 -1.26 -1.59 121.20 129.39 1a0q s ILE 117 Ca 0.05 0.39 0.01 0.00 -1.41 0.00 0.00 60.65 59.69 1a0q s ILE 117 Cb -0.14 -3.62 0.02 0.00 0.13 0.00 0.00 42.46 38.86 1a0q s ILE 117 CO -0.11 0.35 -0.03 -0.36 -1.91 0.00 0.00 174.94 172.88 1a0q s PHE 118 N -1.32 0.64 0.97 3.50 0.08 -0.09 -5.01 117.98 116.74 1a0q s PHE 118 Ca 0.30 -0.15 -0.11 0.00 0.12 0.00 0.00 56.93 57.08 1a0q s PHE 118 Cb -0.14 -0.61 0.17 0.00 -0.57 0.00 0.00 43.02 41.88 1a0q s PHE 118 CO 0.16 -0.18 1.11 -2.14 -0.10 0.00 0.00 175.22 174.07 1a0q s PRO 119 N 0.98 0.64 0.46 0.24 0.02 -1.26 -2.13 135.00 133.95 1a0q s PRO 119 Ca -0.10 1.29 -0.25 0.00 0.02 0.00 0.00 61.00 61.96 1a0q s PRO 119 Cb -0.14 -1.70 -0.08 0.00 0.02 0.00 0.00 34.50 32.60 1a0q s PRO 119 CO -0.01 -2.81 1.40 -0.35 -0.33 0.00 0.00 177.00 174.91 1a0q n PRO 120 N -4.33 2.13 -2.28 5.54 -0.04 -1.11 -4.73 135.00 130.18 1a0q n PRO 120 Ca 0.09 0.76 -0.32 0.00 -0.04 0.00 0.00 63.50 63.99 1a0q n PRO 120 Cb 0.53 -2.59 -0.02 0.00 -0.04 0.00 0.00 33.50 31.38 1a0q n PRO 120 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1a0q s SER 121 N -0.54 6.37 0.33 3.54 1.04 -1.26 -4.95 113.70 118.23 1a0q s SER 121 Ca 0.63 1.63 0.26 0.00 0.48 0.00 0.00 55.95 58.95 1a0q s SER 121 Cb -0.45 -2.51 1.01 0.00 0.10 0.00 0.00 66.02 64.17 1a0q s SER 121 CO 0.56 -0.76 1.78 0.77 0.98 0.00 0.00 173.24 176.58 1a0q h SER 122 N 0.74 0.00 -0.01 7.02 4.64 -1.98 -2.21 113.55 121.74 1a0q h SER 122 Ca -0.47 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.67 1a0q h SER 122 Cb 1.19 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1a0q h SER 122 CO 0.60 0.00 -0.70 -0.33 -0.87 0.00 0.00 176.83 175.53 1a0q h GLU 123 N 0.00 0.50 -0.84 4.77 3.07 -2.01 -3.20 114.58 116.87 1a0q h GLU 123 Ca 0.00 -0.52 -0.03 0.00 -0.50 0.00 0.00 59.36 58.31 1a0q h GLU 123 Cb 0.49 0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 28.51 1a0q h GLU 123 CO 0.00 1.16 0.42 0.37 -1.40 0.00 0.00 179.01 179.56 1a0q h GLN 124 N 0.05 1.19 0.00 2.33 4.15 -1.76 -2.08 115.11 118.99 1a0q h GLN 124 Ca -0.08 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.18 1a0q h GLN 124 Cb 1.39 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.86 1a0q h GLN 124 CO 0.14 0.90 0.00 1.28 -1.93 0.00 0.00 178.83 179.22 1a0q n LEU 125 N -4.32 0.00 0.18 -2.39 4.77 -0.88 -1.06 117.00 113.30 1a0q n LEU 125 Ca 0.08 0.08 0.04 0.00 -0.03 0.00 0.00 56.01 56.18 1a0q n LEU 125 Cb 0.13 -0.08 0.33 0.00 -2.33 0.00 0.00 43.42 41.47 1a0q n LEU 125 CO 0.39 -0.05 0.67 0.74 -1.33 0.00 0.00 177.39 177.81 1a0q h THR 126 N 0.00 1.10 -2.39 -5.08 2.02 -1.38 -3.44 112.91 103.74 1a0q h THR 126 Ca 0.00 -1.52 -0.46 0.00 0.77 0.00 0.00 66.41 65.20 1a0q h THR 126 Cb 0.03 1.87 0.08 0.00 -1.74 0.00 0.00 68.15 68.39 1a0q h THR 126 CO 0.00 0.41 0.11 -0.94 0.37 0.00 0.00 175.52 175.47 1a0q s SER 127 N -6.65 4.42 -0.13 4.18 1.04 -0.22 -5.00 113.70 111.34 1a0q s SER 127 Ca -0.01 -0.24 0.05 0.00 0.48 0.00 0.00 55.95 56.22 1a0q s SER 127 Cb 0.13 -0.20 0.33 0.00 0.10 0.00 0.00 66.02 66.37 1a0q s SER 127 CO 0.71 -1.81 1.14 0.61 0.98 0.00 0.00 173.24 174.87 1a0q n GLY 128 N -2.83 2.42 3.22 7.32 0.00 -1.26 -4.72 105.19 109.34 1a0q n GLY 128 Ca 0.14 -0.41 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 1a0q n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a0q s GLY 129 N -0.21 1.00 -0.24 -0.02 0.00 -1.26 -1.83 107.32 104.76 1a0q s GLY 129 Ca 0.23 -1.31 -0.04 0.00 0.00 0.00 0.00 44.72 43.61 1a0q s GLY 129 CO 0.06 -1.38 0.42 0.00 0.00 0.00 0.00 173.10 172.20 1a0q s ALA 130 N -2.51 -1.29 -0.11 3.20 0.00 0.09 -4.08 121.76 117.06 1a0q s ALA 130 Ca 0.10 1.21 -0.02 0.00 0.00 0.00 0.00 51.96 53.24 1a0q s ALA 130 Cb -0.03 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.39 1a0q s ALA 130 CO 0.02 -1.15 -0.02 -1.12 0.00 0.00 0.00 175.76 173.49 1a0q s SER 131 N 2.61 5.03 -0.22 0.00 0.01 -1.26 -1.50 113.70 118.37 1a0q s SER 131 Ca 0.10 0.04 -0.06 0.00 1.31 0.00 0.00 55.95 57.34 1a0q s SER 131 Cb -0.15 -1.53 -0.02 0.00 0.21 0.00 0.00 66.02 64.53 1a0q s SER 131 CO -0.16 0.31 0.03 -0.69 0.41 0.00 0.00 173.24 173.13 1a0q s VAL 132 N -0.45 4.06 0.06 3.43 1.01 0.09 -2.76 120.40 125.84 1a0q s VAL 132 Ca 0.08 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 61.84 1a0q s VAL 132 Cb -0.12 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1a0q s VAL 132 CO 0.02 0.39 -0.06 -0.69 0.00 0.00 0.00 175.10 174.76 1a0q s VAL 133 N 1.29 3.66 -0.09 2.92 1.01 -0.91 -1.40 120.40 126.89 1a0q s VAL 133 Ca 0.04 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 60.98 1a0q s VAL 133 Cb -0.15 -2.68 0.05 0.00 0.00 0.00 0.00 36.38 33.60 1a0q s VAL 133 CO 0.02 0.21 0.11 0.00 0.00 0.00 0.00 175.10 175.44 1a0q s PHE 135 N 2.21 3.44 -0.57 0.00 0.08 -0.62 -1.89 117.98 120.63 1a0q s PHE 135 Ca 0.04 0.52 0.04 0.00 0.12 0.00 0.00 56.93 57.64 1a0q s PHE 135 Cb -0.13 -2.29 0.14 0.00 -0.57 0.00 0.00 43.02 40.17 1a0q s PHE 135 CO -0.06 0.25 0.33 -0.51 -0.10 0.00 0.00 175.22 175.13 1a0q s LEU 136 N 0.45 4.49 0.14 -0.37 1.02 -0.18 -0.63 118.68 123.59 1a0q s LEU 136 Ca 0.14 -3.24 -0.18 0.00 0.02 0.00 0.00 54.13 50.87 1a0q s LEU 136 Cb -0.12 -1.65 -0.07 0.00 0.02 0.00 0.00 46.19 44.36 1a0q s LEU 136 CO 0.02 -0.20 0.62 0.20 0.02 0.00 0.00 176.35 177.01 1a0q s ASN 137 N -0.56 7.01 -0.64 2.29 0.01 0.55 -1.77 114.94 121.83 1a0q s ASN 137 Ca 0.19 1.27 -0.17 0.00 -0.71 0.00 0.00 52.86 53.44 1a0q s ASN 137 Cb -0.20 -2.36 0.03 0.00 0.41 0.00 0.00 41.25 39.12 1a0q s ASN 137 CO -0.04 0.16 0.64 0.59 -1.51 0.00 0.00 177.10 176.93 1a0q n ASN 138 N 1.17 -5.56 -4.26 -1.22 3.02 -0.83 -1.09 115.26 106.50 1a0q n ASN 138 Ca -0.06 -0.46 -0.23 0.00 -0.03 0.00 0.00 54.58 53.79 1a0q n ASN 138 Cb 0.51 -2.20 -0.13 0.00 -0.61 0.00 0.00 39.78 37.36 1a0q n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1a0q s PHE 139 N -2.34 1.67 -0.03 3.10 -0.71 -0.38 -4.47 117.98 114.83 1a0q s PHE 139 Ca 0.18 -0.42 0.03 0.00 -1.04 0.00 0.00 56.93 55.68 1a0q s PHE 139 Cb -0.02 -0.93 -0.00 0.00 -1.21 0.00 0.00 43.02 40.85 1a0q s PHE 139 CO 0.87 0.16 -0.13 -0.47 -1.34 0.00 0.00 175.22 174.31 1a0q s TYR 140 N -1.13 1.28 0.00 3.49 5.04 -0.61 -0.76 117.35 124.67 1a0q s TYR 140 Ca 0.05 -0.33 0.00 0.00 -2.44 0.00 0.00 57.07 54.35 1a0q s TYR 140 Cb -0.10 -0.87 0.00 0.00 0.35 0.00 0.00 41.96 41.34 1a0q s TYR 140 CO 0.04 -0.11 0.00 0.45 -1.34 0.00 0.00 175.55 174.59 1a0q n SER 141 N 3.14 0.00 -0.18 4.32 2.88 -1.26 -2.67 113.62 119.84 1a0q n SER 141 Ca -0.17 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.46 1a0q n SER 141 Cb 0.54 0.00 0.39 0.00 -0.75 0.00 0.00 64.21 64.39 1a0q n SER 141 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1a0q h LYS 142 N 0.00 0.64 -6.49 -1.46 3.64 -1.98 -3.43 116.57 107.48 1a0q h LYS 142 Ca 0.00 -0.04 -0.58 0.00 -1.27 0.00 0.00 60.65 58.76 1a0q h LYS 142 Cb 0.00 -0.14 0.05 0.00 -0.41 0.00 0.00 32.23 31.73 1a0q h LYS 142 CO 0.00 0.42 0.83 -0.25 -2.27 0.00 0.00 179.45 178.18 1a0q n ASP 143 N -4.49 3.16 -3.64 4.20 9.92 -1.26 -4.99 116.55 119.44 1a0q n ASP 143 Ca 0.12 1.07 -0.07 0.00 -0.53 0.00 0.00 54.79 55.38 1a0q n ASP 143 Cb 0.33 -1.43 -0.07 0.00 -0.64 0.00 0.00 41.12 39.31 1a0q n ASP 143 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1a0q s ILE 144 N 1.18 0.00 -0.13 0.53 2.07 -1.26 -4.69 121.20 118.90 1a0q s ILE 144 Ca 0.80 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 60.00 1a0q s ILE 144 Cb -0.67 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 40.89 1a0q s ILE 144 CO 0.39 0.00 -0.00 0.21 -1.91 0.00 0.00 174.94 173.62 1a0q s ASN 145 N 0.48 5.13 -0.34 4.50 2.47 -0.79 -4.96 114.94 121.43 1a0q s ASN 145 Ca 0.01 0.03 -0.00 0.00 0.42 0.00 0.00 52.86 53.31 1a0q s ASN 145 Cb -0.05 -1.67 0.08 0.00 -1.45 0.00 0.00 41.25 38.16 1a0q s ASN 145 CO -0.09 0.26 0.06 -0.69 -3.72 0.00 0.00 177.10 172.93 1a0q s VAL 146 N -0.18 2.83 -0.21 -5.21 1.01 -1.26 -1.26 120.40 116.12 1a0q s VAL 146 Ca 0.05 -1.84 -0.17 0.00 0.00 0.00 0.00 61.98 60.02 1a0q s VAL 146 Cb -0.13 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 1a0q s VAL 146 CO 0.02 -0.39 0.45 -0.75 0.00 0.00 0.00 175.10 174.43 1a0q s LYS 147 N 1.12 4.16 0.05 2.72 2.20 -0.52 -4.93 119.74 124.54 1a0q s LYS 147 Ca 0.02 0.28 -0.11 0.00 -0.36 0.00 0.00 55.97 55.79 1a0q s LYS 147 Cb -0.21 -3.57 -0.06 0.00 -1.51 0.00 0.00 37.83 32.49 1a0q s LYS 147 CO -0.04 -0.13 0.39 -1.58 -0.36 0.00 0.00 175.35 173.64 1a0q s TRP 148 N 1.59 3.63 -0.06 4.03 0.52 -1.26 -1.14 118.94 126.25 1a0q s TRP 148 Ca 0.21 0.85 0.00 0.00 0.02 0.00 0.00 56.10 57.18 1a0q s TRP 148 Cb -0.15 -2.19 0.02 0.00 -1.15 0.00 0.00 33.47 30.00 1a0q s TRP 148 CO 0.09 0.57 -0.03 0.15 0.02 0.00 0.00 176.95 177.74 1a0q s LYS 149 N -1.61 0.85 -0.24 4.98 1.02 -0.50 -1.24 119.74 123.00 1a0q s LYS 149 Ca 0.29 -0.06 0.02 0.00 0.02 0.00 0.00 55.97 56.25 1a0q s LYS 149 Cb -0.15 -0.97 0.05 0.00 -0.52 0.00 0.00 37.83 36.24 1a0q s LYS 149 CO 0.16 -0.17 -0.13 0.42 -0.92 0.00 0.00 175.35 174.70 1a0q s ILE 150 N 1.35 2.12 -1.27 2.17 1.01 0.18 -0.98 121.20 125.79 1a0q s ILE 150 Ca -0.04 -1.43 -0.02 0.00 0.00 0.00 0.00 60.65 59.16 1a0q s ILE 150 Cb -0.13 -2.15 -0.00 0.00 0.01 0.00 0.00 42.46 40.18 1a0q s ILE 150 CO -0.02 0.13 0.76 0.47 0.00 0.00 0.00 174.94 176.27 1a0q n ASP 151 N 4.49 -1.79 0.00 3.58 8.00 -0.62 -2.35 116.55 127.86 1a0q n ASP 151 Ca -0.16 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.54 1a0q n ASP 151 Cb 0.44 -4.23 0.00 0.00 -0.02 0.00 0.00 41.12 37.32 1a0q n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a0q n GLY 152 N -1.50 0.40 3.48 0.44 0.00 -1.26 -5.00 105.19 101.75 1a0q n GLY 152 Ca -0.28 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 1a0q n GLY 152 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a0q s SER 153 N -2.25 4.55 0.12 1.61 0.15 -0.99 -5.02 113.70 111.87 1a0q s SER 153 Ca 0.00 -0.16 -0.31 0.00 0.70 0.00 0.00 55.95 56.17 1a0q s SER 153 Cb 0.00 -1.62 -0.09 0.00 -1.71 0.00 0.00 66.02 62.60 1a0q s SER 153 CO 0.00 0.20 1.52 -0.70 1.20 0.00 0.00 173.24 175.46 1a0q s GLU 154 N 0.14 4.25 -0.25 5.44 2.12 -1.26 -0.65 118.70 128.49 1a0q s GLU 154 Ca -0.03 2.24 -0.02 0.00 0.36 0.00 0.00 54.97 57.53 1a0q s GLU 154 Cb -0.14 -3.29 0.03 0.00 0.26 0.00 0.00 34.13 30.99 1a0q s GLU 154 CO 0.03 -0.58 -0.05 1.03 -0.54 0.00 0.00 175.26 175.15 1a0q s ARG 155 N 1.47 2.83 -0.22 4.30 1.81 -0.38 -4.92 118.95 123.84 1a0q s ARG 155 Ca 0.69 -0.98 0.03 0.00 -1.72 0.00 0.00 55.73 53.74 1a0q s ARG 155 Cb -0.40 -3.00 -0.20 0.00 -0.45 0.00 0.00 34.95 30.90 1a0q s ARG 155 CO 0.31 -0.41 -0.06 1.04 -0.68 0.00 0.00 175.30 175.49 1a0q n GLN 156 N 4.67 0.67 -3.22 3.54 6.02 -1.26 -4.17 117.38 123.63 1a0q n GLN 156 Ca -0.16 0.15 -0.32 0.00 -0.01 0.00 0.00 57.00 56.66 1a0q n GLN 156 Cb 0.47 -1.56 -0.05 0.00 1.02 0.00 0.00 30.24 30.12 1a0q n GLN 156 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1a0q s ASN 157 N -6.45 6.64 0.00 1.08 0.02 -1.26 -4.25 114.94 110.72 1a0q s ASN 157 Ca -0.29 1.06 0.00 0.00 -1.02 0.00 0.00 52.86 52.61 1a0q s ASN 157 Cb 0.08 -2.29 0.00 0.00 0.02 0.00 0.00 41.25 39.07 1a0q s ASN 157 CO 0.67 -0.18 0.00 0.61 0.02 0.00 0.00 177.10 178.21 1a0q n GLY 158 N -0.48 0.60 3.83 0.66 0.00 -1.26 -4.91 105.19 103.62 1a0q n GLY 158 Ca 0.02 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 1a0q n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a0q s VAL 159 N -2.00 5.07 -0.22 1.61 1.01 -1.26 -1.92 120.40 122.68 1a0q s VAL 159 Ca 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 61.77 1a0q s VAL 159 Cb 0.00 -3.30 0.06 0.00 0.00 0.00 0.00 36.38 33.14 1a0q s VAL 159 CO 0.00 0.41 -0.03 -0.22 0.00 0.00 0.00 175.10 175.26 1a0q s LEU 160 N -1.62 2.16 0.11 3.92 0.20 0.07 -4.94 118.68 118.57 1a0q s LEU 160 Ca 0.22 -1.07 0.05 0.00 0.69 0.00 0.00 54.13 54.02 1a0q s LEU 160 Cb -0.12 -1.01 -0.04 0.00 -0.43 0.00 0.00 46.19 44.59 1a0q s LEU 160 CO 0.13 -0.26 0.02 0.20 -0.29 0.00 0.00 176.35 176.15 1a0q s ASN 161 N 1.53 5.05 -0.29 3.68 0.01 -1.26 -0.83 114.94 122.83 1a0q s ASN 161 Ca -0.04 -0.20 -0.15 0.00 -0.71 0.00 0.00 52.86 51.76 1a0q s ASN 161 Cb -0.18 -1.20 0.12 0.00 0.41 0.00 0.00 41.25 40.40 1a0q s ASN 161 CO -0.07 0.15 0.80 -0.55 -1.51 0.00 0.00 177.10 175.92 1a0q s SER 162 N -2.49 -0.82 0.14 -1.22 0.15 -0.80 -5.00 113.70 103.65 1a0q s SER 162 Ca 0.27 1.24 0.03 0.00 0.70 0.00 0.00 55.95 58.19 1a0q s SER 162 Cb -0.11 1.59 -0.04 0.00 -1.71 0.00 0.00 66.02 65.75 1a0q s SER 162 CO 0.19 -0.19 0.23 0.26 1.20 0.00 0.00 173.24 174.93 1a0q s TRP 163 N 1.96 3.40 0.80 3.44 0.51 -1.26 -1.11 118.94 126.67 1a0q s TRP 163 Ca -0.08 0.10 -0.12 0.00 -2.12 0.00 0.00 56.10 53.88 1a0q s TRP 163 Cb -0.06 -1.64 0.08 0.00 -0.81 0.00 0.00 33.47 31.03 1a0q s TRP 163 CO -0.18 0.53 1.17 0.95 -0.51 0.00 0.00 176.95 178.90 1a0q s THR 164 N -1.70 2.10 0.65 2.01 -4.23 -0.52 -4.98 115.64 108.96 1a0q s THR 164 Ca 0.33 0.01 -0.13 0.00 -1.18 0.00 0.00 61.69 60.73 1a0q s THR 164 Cb -0.11 -3.03 -0.01 0.00 1.34 0.00 0.00 72.50 70.69 1a0q s THR 164 CO 0.27 -0.03 1.05 -1.81 -0.54 0.00 0.00 174.62 173.56 1a0q s ASP 165 N -4.56 5.61 0.29 3.99 1.01 -1.26 -4.68 116.67 117.07 1a0q s ASP 165 Ca 0.62 1.67 -0.30 0.00 0.71 0.00 0.00 52.55 55.24 1a0q s ASP 165 Cb -0.11 -2.51 -0.12 0.00 1.01 0.00 0.00 42.92 41.19 1a0q s ASP 165 CO 0.49 -1.28 1.49 1.67 0.21 0.00 0.00 175.17 177.74 1a0q n GLN 166 N -2.68 2.41 -2.05 8.23 7.27 -1.26 -4.78 117.38 124.52 1a0q n GLN 166 Ca 0.08 0.86 -0.42 0.00 0.07 0.00 0.00 57.00 57.58 1a0q n GLN 166 Cb 0.53 -2.57 -0.03 0.00 2.41 0.00 0.00 30.24 30.59 1a0q n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1a0q s ASP 167 N 0.28 6.70 0.60 1.69 -1.08 0.10 -4.87 116.67 120.08 1a0q s ASP 167 Ca 0.63 2.21 0.34 0.00 -0.52 0.00 0.00 52.55 55.21 1a0q s ASP 167 Cb -0.55 -2.54 1.90 0.00 -1.46 0.00 0.00 42.92 40.27 1a0q s ASP 167 CO 0.52 -0.89 2.24 -1.28 0.52 0.00 0.00 175.17 176.27 1a0q h SER 168 N 9.21 0.00 0.01 -0.34 0.87 -1.89 -0.63 113.55 120.78 1a0q h SER 168 Ca -0.39 0.00 -0.41 0.00 -1.23 0.00 0.00 61.79 59.76 1a0q h SER 168 Cb 1.17 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.07 1a0q h SER 168 CO 0.95 0.03 -2.37 0.29 -0.53 0.00 0.00 176.83 175.19 1a0q n LYS 169 N -3.54 0.62 -0.07 2.24 5.02 -1.26 -2.80 118.16 118.37 1a0q n LYS 169 Ca -0.03 0.25 0.06 0.00 -2.02 0.00 0.00 58.31 56.58 1a0q n LYS 169 Cb 0.13 -1.54 0.10 0.00 -0.02 0.00 0.00 35.03 33.70 1a0q n LYS 169 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1a0q n ASP 170 N -3.85 2.33 -0.15 4.39 5.68 -1.24 -4.88 116.55 118.84 1a0q n ASP 170 Ca -0.48 -2.69 -0.02 0.00 -0.50 0.00 0.00 54.79 51.10 1a0q n ASP 170 Cb 0.92 -0.29 -0.01 0.00 -1.14 0.00 0.00 41.12 40.61 1a0q n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1a0q n SER 171 N -1.02 -4.50 -4.96 -1.12 7.64 -0.24 -4.97 113.62 104.45 1a0q n SER 171 Ca 0.11 0.04 -0.22 0.00 1.01 0.00 0.00 58.87 59.81 1a0q n SER 171 Cb 0.52 -2.87 0.01 0.00 -1.01 0.00 0.00 64.21 60.85 1a0q n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1a0q s THR 172 N -0.92 3.92 0.34 0.44 -4.23 -1.26 -4.65 115.64 109.28 1a0q s THR 172 Ca 0.00 -0.63 0.07 0.00 -1.18 0.00 0.00 61.69 59.95 1a0q s THR 172 Cb 0.00 -3.43 -0.02 0.00 1.34 0.00 0.00 72.50 70.39 1a0q s THR 172 CO 0.00 -0.27 0.32 -0.31 -0.54 0.00 0.00 174.62 173.83 1a0q s TYR 173 N -2.48 2.94 0.18 3.99 2.02 0.06 -0.72 117.35 123.34 1a0q s TYR 173 Ca 0.48 -0.29 0.05 0.00 -0.37 0.00 0.00 57.07 56.94 1a0q s TYR 173 Cb -0.10 -1.83 -0.05 0.00 -0.40 0.00 0.00 41.96 39.58 1a0q s TYR 173 CO 0.36 0.15 -0.08 -1.12 -1.57 0.00 0.00 175.55 173.29 1a0q s SER 174 N -4.03 1.92 -0.16 2.29 0.01 -1.26 -1.25 113.70 111.21 1a0q s SER 174 Ca 0.42 -1.08 -0.15 0.00 1.31 0.00 0.00 55.95 56.45 1a0q s SER 174 Cb -0.06 -0.02 0.04 0.00 0.21 0.00 0.00 66.02 66.19 1a0q s SER 174 CO 0.27 -0.37 0.44 -0.32 0.41 0.00 0.00 173.24 173.67 1a0q s MET 175 N -3.77 0.51 -0.07 12.44 1.75 -0.73 -1.44 119.30 127.99 1a0q s MET 175 Ca 0.21 0.61 0.01 0.00 -1.25 0.00 0.00 55.69 55.27 1a0q s MET 175 Cb 0.03 0.24 0.02 0.00 2.84 0.00 0.00 34.83 37.97 1a0q s MET 175 CO 0.04 -0.06 -0.06 0.45 -0.65 0.00 0.00 175.02 174.74 1a0q s SER 176 N 0.25 1.45 -0.15 1.11 0.15 -0.27 -1.01 113.70 115.24 1a0q s SER 176 Ca -0.00 -0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.48 1a0q s SER 176 Cb -0.03 -0.59 0.01 0.00 -1.71 0.00 0.00 66.02 63.69 1a0q s SER 176 CO 0.00 -0.07 -0.21 -0.55 1.20 0.00 0.00 173.24 173.61 1a0q s SER 177 N 1.20 3.20 -0.15 5.45 0.15 -0.79 -1.90 113.70 120.85 1a0q s SER 177 Ca -0.06 -0.59 0.01 0.00 0.70 0.00 0.00 55.95 56.01 1a0q s SER 177 Cb -0.14 -1.47 0.02 0.00 -1.71 0.00 0.00 66.02 62.72 1a0q s SER 177 CO -0.02 0.07 -0.18 -0.89 1.20 0.00 0.00 173.24 173.43 1a0q s THR 178 N 0.85 1.82 -0.27 6.45 2.01 -0.01 -1.23 115.64 125.25 1a0q s THR 178 Ca -0.06 -0.80 -0.10 0.00 0.31 0.00 0.00 61.69 61.03 1a0q s THR 178 Cb -0.15 -1.65 -0.05 0.00 0.01 0.00 0.00 72.50 70.66 1a0q s THR 178 CO -0.03 0.50 0.17 -0.22 -0.69 0.00 0.00 174.62 174.36 1a0q s LEU 179 N 1.22 3.94 -0.07 4.42 2.96 -0.50 -0.75 118.68 129.90 1a0q s LEU 179 Ca 0.01 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 53.90 1a0q s LEU 179 Cb -0.14 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 1a0q s LEU 179 CO -0.09 -0.04 -0.11 -0.89 -1.32 0.00 0.00 176.35 173.90 1a0q s THR 180 N 1.72 3.30 0.29 3.68 2.01 -0.81 -0.73 115.64 125.10 1a0q s THR 180 Ca 0.07 -0.62 0.02 0.00 0.31 0.00 0.00 61.69 61.47 1a0q s THR 180 Cb -0.16 -2.33 -0.05 0.00 0.01 0.00 0.00 72.50 69.97 1a0q s THR 180 CO 0.10 0.58 0.09 -0.76 -0.69 0.00 0.00 174.62 173.93 1a0q s LEU 181 N -0.53 1.85 0.66 4.42 1.43 -0.56 -4.81 118.68 121.14 1a0q s LEU 181 Ca 0.07 -1.40 -0.12 0.00 -1.03 0.00 0.00 54.13 51.65 1a0q s LEU 181 Cb -0.12 -0.13 -0.01 0.00 0.03 0.00 0.00 46.19 45.97 1a0q s LEU 181 CO 0.02 -0.70 1.06 0.42 0.23 0.00 0.00 176.35 177.37 1a0q s THR 182 N -3.55 4.00 0.25 5.49 -4.23 -1.26 -0.73 115.64 115.60 1a0q s THR 182 Ca 0.37 0.74 -0.05 0.00 -1.18 0.00 0.00 61.69 61.57 1a0q s THR 182 Cb 0.08 -3.41 0.23 0.00 1.34 0.00 0.00 72.50 70.73 1a0q s THR 182 CO 0.15 -0.76 1.86 0.50 -0.54 0.00 0.00 174.62 175.83 1a0q h LYS 183 N -0.33 1.01 -0.22 3.99 3.64 -1.59 -1.45 116.57 121.63 1a0q h LYS 183 Ca -0.45 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 58.77 1a0q h LYS 183 Cb 1.21 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1a0q h LYS 183 CO 0.57 0.67 -0.26 -0.44 -2.27 0.00 0.00 179.45 177.72 1a0q h ASP 184 N 1.04 0.62 -0.20 4.20 3.32 -1.93 -2.09 116.42 121.38 1a0q h ASP 184 Ca 0.39 -0.49 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 1a0q h ASP 184 Cb 0.15 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1a0q h ASP 184 CO -0.17 0.99 0.10 -0.08 -1.72 0.00 0.00 179.24 178.36 1a0q h GLU 185 N 0.26 0.34 -0.60 3.56 4.57 -1.90 -1.91 114.58 118.91 1a0q h GLU 185 Ca 0.03 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.10 1a0q h GLU 185 Cb 0.83 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.33 1a0q h GLU 185 CO 0.06 0.29 0.09 -0.92 -1.18 0.00 0.00 179.01 177.35 1a0q h TYR 186 N 0.35 1.03 0.00 0.92 3.20 -1.18 -3.04 116.97 118.24 1a0q h TYR 186 Ca 0.09 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1a0q h TYR 186 Cb 0.08 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.06 1a0q h TYR 186 CO 0.00 0.88 0.00 0.39 -1.64 0.00 0.00 178.16 177.79 1a0q n GLU 187 N -4.22 0.16 0.00 1.82 1.02 -0.78 -2.91 120.64 115.73 1a0q n GLU 187 Ca 0.04 0.14 0.12 0.00 -0.02 0.00 0.00 57.16 57.43 1a0q n GLU 187 Cb 0.28 -1.69 0.51 0.00 -0.02 0.00 0.00 31.44 30.52 1a0q n GLU 187 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1a0q n ARG 188 N -1.96 0.00 -4.48 3.49 1.74 -0.85 -4.89 116.66 109.71 1a0q n ARG 188 Ca 0.06 0.09 -0.23 0.00 -0.77 0.00 0.00 57.85 57.00 1a0q n ARG 188 Cb 0.39 -1.51 -0.11 0.00 -1.02 0.00 0.00 32.46 30.22 1a0q n ARG 188 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1a0q s HIS 189 N -3.00 2.08 0.03 -1.55 3.76 -1.15 -5.09 115.29 110.37 1a0q s HIS 189 Ca 0.11 -0.84 -0.02 0.00 -0.15 0.00 0.00 55.06 54.16 1a0q s HIS 189 Cb 0.16 -1.36 -0.01 0.00 1.11 0.00 0.00 32.58 32.48 1a0q s HIS 189 CO 0.44 0.16 -0.05 0.09 -0.85 0.00 0.00 174.74 174.52 1a0q n ASN 190 N -0.73 0.94 -4.67 1.40 4.13 -1.26 -4.80 115.26 110.27 1a0q n ASN 190 Ca -0.03 0.13 -0.40 0.00 1.68 0.00 0.00 54.58 55.96 1a0q n ASN 190 Cb 0.66 -0.31 -0.06 0.00 -1.54 0.00 0.00 39.78 38.53 1a0q n ASN 190 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1a0q s SER 191 N -5.79 6.71 -0.11 6.41 0.15 -1.26 -0.60 113.70 119.21 1a0q s SER 191 Ca -0.05 0.87 -0.00 0.00 0.70 0.00 0.00 55.95 57.47 1a0q s SER 191 Cb 0.01 -2.35 0.02 0.00 -1.71 0.00 0.00 66.02 62.00 1a0q s SER 191 CO 0.07 -0.23 -0.09 -0.31 1.20 0.00 0.00 173.24 173.88 1a0q s TYR 192 N 1.69 1.53 -0.05 3.44 1.51 -0.64 -1.60 117.35 123.23 1a0q s TYR 192 Ca 0.29 -0.75 0.04 0.00 -1.01 0.00 0.00 57.07 55.65 1a0q s TYR 192 Cb -0.16 -1.24 -0.00 0.00 -0.11 0.00 0.00 41.96 40.45 1a0q s TYR 192 CO 0.11 -0.50 -0.19 0.99 -1.11 0.00 0.00 175.55 174.86 1a0q s THR 193 N 1.55 1.59 -0.33 -0.71 2.01 -0.15 -1.83 115.64 117.78 1a0q s THR 193 Ca 0.02 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.24 1a0q s THR 193 Cb -0.13 -1.37 0.08 0.00 0.01 0.00 0.00 72.50 71.10 1a0q s THR 193 CO -0.07 0.45 0.03 0.00 -0.69 0.00 0.00 174.62 174.34 1a0q s GLU 195 N 1.06 3.57 -0.14 0.00 2.12 -0.29 -1.17 118.70 123.84 1a0q s GLU 195 Ca 0.03 -0.02 -0.01 0.00 0.36 0.00 0.00 54.97 55.32 1a0q s GLU 195 Cb -0.20 -3.16 0.04 0.00 0.26 0.00 0.00 34.13 31.07 1a0q s GLU 195 CO -0.05 0.72 -0.02 0.00 -0.54 0.00 0.00 175.26 175.37 1a0q s ALA 196 N -1.14 1.14 -0.40 6.30 0.00 -0.81 -1.43 121.76 125.43 1a0q s ALA 196 Ca 0.21 -0.59 -0.14 0.00 0.00 0.00 0.00 51.96 51.44 1a0q s ALA 196 Cb -0.13 -1.02 0.02 0.00 0.00 0.00 0.00 23.12 21.98 1a0q s ALA 196 CO 0.10 -0.78 0.28 0.99 0.00 0.00 0.00 175.76 176.36 1a0q s THR 197 N 1.79 5.18 0.08 0.00 2.01 -0.39 -2.07 115.64 122.24 1a0q s THR 197 Ca 0.02 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 61.40 1a0q s THR 197 Cb -0.15 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1a0q s THR 197 CO -0.07 -0.26 -0.05 -2.28 -0.69 0.00 0.00 174.62 171.27 1a0q s HIS 198 N 1.67 0.74 0.34 4.92 5.04 -1.26 -1.89 115.29 124.86 1a0q s HIS 198 Ca 0.05 -0.99 0.20 0.00 -1.54 0.00 0.00 55.06 52.78 1a0q s HIS 198 Cb -0.19 -0.47 1.03 0.00 0.04 0.00 0.00 32.58 33.00 1a0q s HIS 198 CO 0.10 -0.26 1.92 -0.22 -2.34 0.00 0.00 174.74 173.94 1a0q h LYS 199 N 3.04 0.00 0.00 2.88 3.64 -1.92 -3.10 116.57 121.10 1a0q h LYS 199 Ca -0.35 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1a0q h LYS 199 Cb 1.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1a0q h LYS 199 CO 0.65 0.25 0.00 0.25 -2.27 0.00 0.00 179.45 178.33 1a0q n THR 200 N -3.79 0.81 -4.27 1.00 -2.24 -1.26 -4.74 114.28 99.80 1a0q n THR 200 Ca -0.01 0.19 -0.18 0.00 -2.27 0.00 0.00 64.05 61.78 1a0q n THR 200 Cb 0.35 -1.11 -0.13 0.00 -2.10 0.00 0.00 70.33 67.33 1a0q n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1a0q s SER 201 N -4.21 1.37 0.00 3.42 0.15 -1.17 -4.99 113.70 108.26 1a0q s SER 201 Ca 0.05 -0.44 0.28 0.00 0.70 0.00 0.00 55.95 56.54 1a0q s SER 201 Cb 0.10 -0.07 0.96 0.00 -1.71 0.00 0.00 66.02 65.29 1a0q s SER 201 CO 0.40 -0.01 1.69 0.35 1.20 0.00 0.00 173.24 176.87 1a0q n THR 202 N 1.92 0.00 -3.77 6.45 -2.24 -1.26 -4.65 114.28 110.73 1a0q n THR 202 Ca -0.18 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.19 1a0q n THR 202 Cb 0.55 0.61 -0.14 0.00 -2.10 0.00 0.00 70.33 69.25 1a0q n THR 202 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1a0q s SER 203 N -2.00 -0.15 0.40 3.42 1.04 -1.26 -5.15 113.70 110.01 1a0q s SER 203 Ca 0.37 0.34 -0.24 0.00 0.48 0.00 0.00 55.95 56.89 1a0q s SER 203 Cb 0.21 0.26 -0.11 0.00 0.10 0.00 0.00 66.02 66.48 1a0q s SER 203 CO 0.33 -0.12 0.93 -2.65 0.98 0.00 0.00 173.24 172.71 1a0q n PRO 204 N 3.82 1.21 -3.00 4.02 -0.02 -1.26 -4.94 135.00 134.83 1a0q n PRO 204 Ca -0.22 0.43 -0.43 0.00 -2.02 0.00 0.00 63.50 61.26 1a0q n PRO 204 Cb 0.54 -1.92 -0.05 0.00 -0.02 0.00 0.00 33.50 32.05 1a0q n PRO 204 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1a0q s ILE 205 N -1.28 4.65 -0.10 4.25 1.01 -0.88 -4.83 121.20 124.02 1a0q s ILE 205 Ca 0.63 0.05 -0.02 0.00 0.00 0.00 0.00 60.65 61.31 1a0q s ILE 205 Cb -0.59 -4.37 -0.03 0.00 0.01 0.00 0.00 42.46 37.48 1a0q s ILE 205 CO 0.57 -0.86 -0.01 -0.69 0.00 0.00 0.00 174.94 173.95 1a0q s VAL 206 N 3.25 4.22 -0.03 2.92 1.01 -1.26 -1.92 120.40 128.58 1a0q s VAL 206 Ca 0.24 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1a0q s VAL 206 Cb -0.15 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.47 1a0q s VAL 206 CO 0.18 0.58 -0.05 -0.54 0.00 0.00 0.00 175.10 175.27 1a0q s LYS 207 N -0.66 0.80 0.25 2.72 -0.14 -0.32 -4.99 119.74 117.40 1a0q s LYS 207 Ca 0.11 -0.15 0.03 0.00 -1.36 0.00 0.00 55.97 54.59 1a0q s LYS 207 Cb -0.12 -0.79 -0.05 0.00 -1.68 0.00 0.00 37.83 35.19 1a0q s LYS 207 CO 0.02 -0.02 0.04 -1.12 -0.76 0.00 0.00 175.35 173.52 1a0q s SER 208 N 0.64 1.65 -0.01 2.83 0.01 -1.26 -0.74 113.70 116.81 1a0q s SER 208 Ca -0.09 -1.30 -0.14 0.00 1.31 0.00 0.00 55.95 55.73 1a0q s SER 208 Cb -0.12 0.06 0.02 0.00 0.21 0.00 0.00 66.02 66.19 1a0q s SER 208 CO 0.00 -0.61 0.30 0.72 0.41 0.00 0.00 173.24 174.06 1a0q s PHE 209 N -3.54 -0.17 -0.12 2.43 -0.12 -0.76 -4.95 117.98 110.76 1a0q s PHE 209 Ca 0.33 0.23 0.01 0.00 -0.05 0.00 0.00 56.93 57.45 1a0q s PHE 209 Cb 0.07 0.09 -0.01 0.00 -0.63 0.00 0.00 43.02 42.54 1a0q s PHE 209 CO 0.11 -0.39 -0.15 1.21 -0.05 0.00 0.00 175.22 175.95 1a0q s ASN 210 N -1.37 3.86 -0.01 1.98 3.84 -1.26 -1.62 114.94 120.36 1a0q s ASN 210 Ca -0.13 -0.35 -0.23 0.00 0.21 0.00 0.00 52.86 52.35 1a0q s ASN 210 Cb -0.05 -1.50 -0.16 0.00 -0.55 0.00 0.00 41.25 39.00 1a0q s ASN 210 CO 0.04 0.18 1.07 0.03 -2.79 0.00 0.00 177.10 175.63 1a0q h ARG 211 N 6.57 -0.38 -3.29 0.43 3.08 -1.17 -3.26 114.38 116.36 1a0q h ARG 211 Ca -0.27 0.03 -0.71 0.00 0.07 0.00 0.00 59.98 59.10 1a0q h ARG 211 Cb 1.21 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 31.29 1a0q h ARG 211 CO 0.54 -0.04 2.97 0.09 -1.07 0.00 0.00 179.97 182.45 1a0q n ASN 212 N -5.08 6.50 0.00 7.04 4.13 -1.26 -5.11 115.26 121.48 1a0q n ASN 212 Ca -0.09 -2.88 0.00 0.00 1.68 0.00 0.00 54.58 53.29 1a0q n ASN 212 Cb 0.27 -1.53 0.00 0.00 -1.54 0.00 0.00 39.78 36.98 1a0q n ASN 212 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70